Daily Papers

Many recent machine learning tasks focus to develop models that can generalize to unseen distributions. Domain generalization (DG) has become one of the key topics in various fields. Several literatures show that DG can be arbitrarily hard without exploiting target domain information. To address this issue, test-time adaptive (TTA) methods are proposed. Existing TTA methods require offline target data or extra sophisticated optimization procedures during the inference stage. In this work, we adopt Non-Parametric Classifier to perform the test-time Adaptation (AdaNPC). In particular, we construct a memory that contains the feature and label pairs from training domains. During inference, given a test instance, AdaNPC first recalls K closed samples from the memory to vote for the prediction, and then the test feature and predicted label are added to the memory. In this way, the sample distribution in the memory can be gradually changed from the training distribution towards the test distribution with very little extra computation cost. We theoretically justify the rationality behind the proposed method. Besides, we test our model on extensive numerical experiments. AdaNPC significantly outperforms competitive baselines on various DG benchmarks. In particular, when the adaptation target is a series of domains, the adaptation accuracy of AdaNPC is 50% higher than advanced TTA methods. The code is available at https://github.com/yfzhang114/AdaNPC.

Generalized Category Discovery (GCD) aims to discover novel categories in unlabelled datasets using knowledge learned from labelled samples. Previous studies argued that parametric classifiers are prone to overfitting to seen categories, and endorsed using a non-parametric classifier formed with semi-supervised k-means. However, in this study, we investigate the failure of parametric classifiers, verify the effectiveness of previous design choices when high-quality supervision is available, and identify unreliable pseudo-labels as a key problem. We demonstrate that two prediction biases exist: the classifier tends to predict seen classes more often, and produces an imbalanced distribution across seen and novel categories. Based on these findings, we propose a simple yet effective parametric classification method that benefits from entropy regularisation, achieves state-of-the-art performance on multiple GCD benchmarks and shows strong robustness to unknown class numbers. We hope the investigation and proposed simple framework can serve as a strong baseline to facilitate future studies in this field. Our code is available at: https://github.com/CVMI-Lab/SimGCD.

The prevalence of sarcasm in social media, conveyed through text-image combinations, presents significant challenges for sentiment analysis and intention mining. Current multi-modal sarcasm detection methods have been proven to struggle with biases from spurious cues, leading to a superficial understanding of the complex interactions between text and image. To address these issues, we propose InterCLIP-MEP, a robust framework for multi-modal sarcasm detection. InterCLIP-MEP introduces a refined variant of CLIP, Interactive CLIP (InterCLIP), as the backbone, enhancing sample representations by embedding cross-modality information in each encoder. Furthermore, a novel training strategy is designed to adapt InterCLIP for a Memory-Enhanced Predictor (MEP). MEP uses dynamic dual-channel memory to store valuable historical knowledge of test samples and then leverages this memory as a non-parametric classifier to derive the final prediction. By using InterCLIP to encode text-image interactions more effectively and incorporating MEP, InterCLIP-MEP offers a more robust recognition of multi-modal sarcasm. Experiments demonstrate that InterCLIP-MEP achieves state-of-the-art performance on the MMSD2.0 benchmark. Code and data are available at [https://github.com/CoderChen01/InterCLIP-MEP](https://github.com/CoderChen01/InterCLIP-MEP).

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

Deep neural networks (DNNs) are often used for text classification tasks as they usually achieve high levels of accuracy. However, DNNs can be computationally intensive with billions of parameters and large amounts of labeled data, which can make them expensive to use, to optimize and to transfer to out-of-distribution (OOD) cases in practice. In this paper, we propose a non-parametric alternative to DNNs that's easy, light-weight and universal in text classification: a combination of a simple compressor like gzip with a k-nearest-neighbor classifier. Without any training, pre-training or fine-tuning, our method achieves results that are competitive with non-pretrained deep learning methods on six in-distributed datasets. It even outperforms BERT on all five OOD datasets, including four low-resource languages. Our method also performs particularly well in few-shot settings where labeled data are too scarce for DNNs to achieve a satisfying accuracy.

Despite significant advances, the performance of state-of-the-art continual learning approaches hinges on the unrealistic scenario of fully labeled data. In this paper, we tackle this challenge and propose an approach for continual semi-supervised learning--a setting where not all the data samples are labeled. A primary issue in this scenario is the model forgetting representations of unlabeled data and overfitting the labeled samples. We leverage the power of nearest-neighbor classifiers to nonlinearly partition the feature space and flexibly model the underlying data distribution thanks to its non-parametric nature. This enables the model to learn a strong representation for the current task, and distill relevant information from previous tasks. We perform a thorough experimental evaluation and show that our method outperforms all the existing approaches by large margins, setting a solid state of the art on the continual semi-supervised learning paradigm. For example, on CIFAR-100 we surpass several others even when using at least 30 times less supervision (0.8% vs. 25% of annotations). Finally, our method works well on both low and high resolution images and scales seamlessly to more complex datasets such as ImageNet-100. The code is publicly available on https://github.com/kangzhiq/NNCSL

Generative AI has matured to a point where large-scale models can generate text that seems indistinguishable from human-written text and remarkably photorealistic images. Automatically measuring how close the distribution of generated data is to the target real data distribution is a key step in diagnosing existing models and developing better models. We present MAUVE, a family of comparison measures between pairs of distributions such as those encountered in the generative modeling of text or images. These scores are statistical summaries of divergence frontiers capturing two types of errors in generative modeling. We explore four approaches to statistically estimate these scores: vector quantization, non-parametric estimation, classifier-based estimation, and parametric Gaussian approximations. We provide statistical bounds for the vector quantization approach. Empirically, we find that the proposed scores paired with a range of f-divergences and statistical estimation methods can quantify the gaps between the distributions of human-written text and those of modern neural language models by correlating with human judgments and identifying known properties of the generated texts. We conclude the paper by demonstrating its applications to other AI domains and discussing practical recommendations.

Multi-document summarization (MDS) is a difficult task in Natural Language Processing, aiming to summarize information from several documents. However, the source documents are often insufficient to obtain a qualitative summary. We propose a retriever-guided model combined with non-parametric memory for summary generation. This model retrieves relevant candidates from a database and then generates the summary considering the candidates with a copy mechanism and the source documents. The retriever is implemented with Approximate Nearest Neighbor Search (ANN) to search large databases. Our method is evaluated on the MultiXScience dataset which includes scientific articles. Finally, we discuss our results and possible directions for future work.

Non-parametric, k-nearest-neighbor algorithms have recently made inroads to assist generative models such as language models and machine translation decoders. We explore whether such non-parametric models can improve machine translation models at the fine-tuning stage by incorporating statistics from the kNN predictions to inform the gradient updates for a baseline translation model. There are multiple methods which could be used to incorporate kNN statistics and we investigate gradient scaling by a gating mechanism, the kNN's ground truth probability, and reinforcement learning. For four standard in-domain machine translation datasets, compared with classic fine-tuning, we report consistent improvements of all of the three methods by as much as 1.45 BLEU and 1.28 BLEU for German-English and English-German translations respectively. Through qualitative analysis, we found particular improvements when it comes to translating grammatical relations or function words, which results in increased fluency of our model.

Our ability to continuously acquire, organize, and leverage knowledge is a key feature of human intelligence that AI systems must approximate to unlock their full potential. Given the challenges in continual learning with large language models (LLMs), retrieval-augmented generation (RAG) has become the dominant way to introduce new information. However, its reliance on vector retrieval hinders its ability to mimic the dynamic and interconnected nature of human long-term memory. Recent RAG approaches augment vector embeddings with various structures like knowledge graphs to address some of these gaps, namely sense-making and associativity. However, their performance on more basic factual memory tasks drops considerably below standard RAG. We address this unintended deterioration and propose HippoRAG 2, a framework that outperforms standard RAG comprehensively on factual, sense-making, and associative memory tasks. HippoRAG 2 builds upon the Personalized PageRank algorithm used in HippoRAG and enhances it with deeper passage integration and more effective online use of an LLM. This combination pushes this RAG system closer to the effectiveness of human long-term memory, achieving a 7% improvement in associative memory tasks over the state-of-the-art embedding model while also exhibiting superior factual knowledge and sense-making memory capabilities. This work paves the way for non-parametric continual learning for LLMs. Our code and data will be released at https://github.com/OSU-NLP-Group/HippoRAG.

There is no limit to how much a robot might explore and learn, but all of that knowledge needs to be searchable and actionable. Within language research, retrieval augmented generation (RAG) has become the workhouse of large-scale non-parametric knowledge, however existing techniques do not directly transfer to the embodied domain, which is multimodal, data is highly correlated, and perception requires abstraction. To address these challenges, we introduce Embodied-RAG, a framework that enhances the foundational model of an embodied agent with a non-parametric memory system capable of autonomously constructing hierarchical knowledge for both navigation and language generation. Embodied-RAG handles a full range of spatial and semantic resolutions across diverse environments and query types, whether for a specific object or a holistic description of ambiance. At its core, Embodied-RAG's memory is structured as a semantic forest, storing language descriptions at varying levels of detail. This hierarchical organization allows the system to efficiently generate context-sensitive outputs across different robotic platforms. We demonstrate that Embodied-RAG effectively bridges RAG to the robotics domain, successfully handling over 200 explanation and navigation queries across 19 environments, highlighting its promise for general-purpose non-parametric system for embodied agents.

We present a Non-parametric Network for 3D point cloud analysis, Point-NN, which consists of purely non-learnable components: farthest point sampling (FPS), k-nearest neighbors (k-NN), and pooling operations, with trigonometric functions. Surprisingly, it performs well on various 3D tasks, requiring no parameters or training, and even surpasses existing fully trained models. Starting from this basic non-parametric model, we propose two extensions. First, Point-NN can serve as a base architectural framework to construct Parametric Networks by simply inserting linear layers on top. Given the superior non-parametric foundation, the derived Point-PN exhibits a high performance-efficiency trade-off with only a few learnable parameters. Second, Point-NN can be regarded as a plug-and-play module for the already trained 3D models during inference. Point-NN captures the complementary geometric knowledge and enhances existing methods for different 3D benchmarks without re-training. We hope our work may cast a light on the community for understanding 3D point clouds with non-parametric methods. Code is available at https://github.com/ZrrSkywalker/Point-NN.

Generative language models often struggle with specialized or less-discussed knowledge. A potential solution is found in Retrieval-Augmented Generation (RAG) models which act like retrieving information before generating responses. In this study, we explore how the Atlas approach, a RAG model, decides between what it already knows (parametric) and what it retrieves (non-parametric). We use causal mediation analysis and controlled experiments to examine how internal representations influence information processing. Our findings disentangle the effects of parametric knowledge and the retrieved context. They indicate that in cases where the model can choose between both types of information (parametric and non-parametric), it relies more on the context than the parametric knowledge. Furthermore, the analysis investigates the computations involved in how the model uses the information from the context. We find that multiple mechanisms are active within the model and can be detected with mediation analysis: first, the decision of whether the context is relevant, and second, how the encoder computes output representations to support copying when relevant.

Despite their impressive performance on diverse tasks, large language models (LMs) still struggle with tasks requiring rich world knowledge, implying the limitations of relying solely on their parameters to encode a wealth of world knowledge. This paper aims to understand LMs' strengths and limitations in memorizing factual knowledge, by conducting large-scale knowledge probing experiments of 10 models and 4 augmentation methods on PopQA, our new open-domain QA dataset with 14k questions. We find that LMs struggle with less popular factual knowledge, and that scaling fails to appreciably improve memorization of factual knowledge in the long tail. We then show that retrieval-augmented LMs largely outperform orders of magnitude larger LMs, while unassisted LMs remain competitive in questions about high-popularity entities. Based on those findings, we devise a simple, yet effective, method for powerful and efficient retrieval-augmented LMs, which retrieves non-parametric memories only when necessary. Experimental results show that this significantly improves models' performance while reducing the inference costs.

A supervised ranking model, despite its advantage of being effective, usually involves complex processing - typically multiple stages of task-specific pre-training and fine-tuning. This has motivated researchers to explore simpler pipelines leveraging large language models (LLMs) that are capable of working in a zero-shot manner. However, since zero-shot inference does not make use of a training set of pairs of queries and their relevant documents, its performance is mostly worse than that of supervised models, which are trained on such example pairs. Motivated by the existing findings that training examples generally improve zero-shot performance, in our work, we explore if this also applies to ranking models. More specifically, given a query and a pair of documents, the preference prediction task is improved by augmenting examples of preferences for similar queries from a training set. Our proposed pairwise few-shot ranker demonstrates consistent improvements over the zero-shot baseline on both in-domain (TREC DL) and out-domain (BEIR subset) retrieval benchmarks. Our method also achieves a close performance to that of a supervised model without requiring any complex training pipeline.

Monitoring machine learning models once they are deployed is challenging. It is even more challenging to decide when to retrain models in real-case scenarios when labeled data is beyond reach, and monitoring performance metrics becomes unfeasible. In this work, we use non-parametric bootstrapped uncertainty estimates and SHAP values to provide explainable uncertainty estimation as a technique that aims to monitor the deterioration of machine learning models in deployment environments, as well as determine the source of model deterioration when target labels are not available. Classical methods are purely aimed at detecting distribution shift, which can lead to false positives in the sense that the model has not deteriorated despite a shift in the data distribution. To estimate model uncertainty we construct prediction intervals using a novel bootstrap method, which improves upon the work of Kumar & Srivastava (2012). We show that both our model deterioration detection system as well as our uncertainty estimation method achieve better performance than the current state-of-the-art. Finally, we use explainable AI techniques to gain an understanding of the drivers of model deterioration. We release an open source Python package, doubt, which implements our proposed methods, as well as the code used to reproduce our experiments.

Temporal point processes (TPP) are a natural tool for modeling event-based data. Among all TPP models, Hawkes processes have proven to be the most widely used, mainly due to their adequate modeling for various applications, particularly when considering exponential or non-parametric kernels. Although non-parametric kernels are an option, such models require large datasets. While exponential kernels are more data efficient and relevant for specific applications where events immediately trigger more events, they are ill-suited for applications where latencies need to be estimated, such as in neuroscience. This work aims to offer an efficient solution to TPP inference using general parametric kernels with finite support. The developed solution consists of a fast ell_2 gradient-based solver leveraging a discretized version of the events. After theoretically supporting the use of discretization, the statistical and computational efficiency of the novel approach is demonstrated through various numerical experiments. Finally, the method's effectiveness is evaluated by modeling the occurrence of stimuli-induced patterns from brain signals recorded with magnetoencephalography (MEG). Given the use of general parametric kernels, results show that the proposed approach leads to an improved estimation of pattern latency than the state-of-the-art.

Recent vision-only perception models for autonomous driving achieved promising results by encoding multi-view image features into Bird's-Eye-View (BEV) space. A critical step and the main bottleneck of these methods is transforming image features into the BEV coordinate frame. This paper focuses on leveraging geometry information, such as depth, to model such feature transformation. Existing works rely on non-parametric depth distribution modeling leading to significant memory consumption, or ignore the geometry information to address this problem. In contrast, we propose to use parametric depth distribution modeling for feature transformation. We first lift the 2D image features to the 3D space defined for the ego vehicle via a predicted parametric depth distribution for each pixel in each view. Then, we aggregate the 3D feature volume based on the 3D space occupancy derived from depth to the BEV frame. Finally, we use the transformed features for downstream tasks such as object detection and semantic segmentation. Existing semantic segmentation methods do also suffer from an hallucination problem as they do not take visibility information into account. This hallucination can be particularly problematic for subsequent modules such as control and planning. To mitigate the issue, our method provides depth uncertainty and reliable visibility-aware estimations. We further leverage our parametric depth modeling to present a novel visibility-aware evaluation metric that, when taken into account, can mitigate the hallucination problem. Extensive experiments on object detection and semantic segmentation on the nuScenes datasets demonstrate that our method outperforms existing methods on both tasks.

Efficient video-language modeling should consider the computational cost because of a large, sometimes intractable, number of video frames. Parametric approaches such as the attention mechanism may not be ideal since its computational cost quadratically increases as the video length increases. Rather, previous studies have relied on offline feature extraction or frame sampling to represent the video efficiently, focusing on cross-modal modeling in short video clips. In this paper, we propose a semi-parametric video-grounded text generation model, SeViT, a novel perspective on scalable video-language modeling toward long untrimmed videos. Treating a video as an external data store, SeViT includes a non-parametric frame retriever to select a few query-relevant frames from the data store for a given query and a parametric generator to effectively aggregate the frames with the query via late fusion methods. Experimental results demonstrate our method has a significant advantage in longer videos and causal video understanding. Moreover, our model achieves the new state of the art on four video-language datasets, iVQA (+4.8), Next-QA (+6.9), and Activitynet-QA (+4.8) in accuracy, and MSRVTT-Caption (+3.6) in CIDEr.

We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of O(T) where T is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than Bayesian optimization approaches in high dimensional cases, even if the model is misspecified.

Retrieval Augmented Generation (RAG) is a widely used approach for leveraging external context in several natural language applications such as question answering and information retrieval. Yet, the exact nature in which a Language Model (LM) leverages this non-parametric memory or retrieved context isn't clearly understood. This paper mechanistically examines the RAG pipeline to highlight that LMs demonstrate a "shortcut'' effect and have a strong bias towards utilizing the retrieved context to answer questions, while relying minimally on model priors. We propose (a) Causal Mediation Analysis; for proving that parametric memory is minimally utilized when answering a question and (b) Attention Contributions and Knockouts for showing the last token residual stream do not get enriched from the subject token in the question, but gets enriched from tokens of RAG-context. We find this pronounced "shortcut'' behaviour to be true across both LLMs (e.g.,LlaMa) and SLMs (e.g., Phi)

Federated optimization studies the problem of collaborative function optimization among multiple clients (e.g. mobile devices or organizations) under the coordination of a central server. Since the data is collected separately by each client and always remains decentralized, federated optimization preserves data privacy and allows for large-scale computing, which makes it a promising decentralized machine learning paradigm. Though it is often deployed for tasks that are online in nature, e.g., next-word prediction on keyboard apps, most works formulate it as an offline problem. The few exceptions that consider federated bandit optimization are limited to very simplistic function classes, e.g., linear, generalized linear, or non-parametric function class with bounded RKHS norm, which severely hinders its practical usage. In this paper, we propose a new algorithm, named Fed-GO-UCB, for federated bandit optimization with generic non-linear objective function. Under some mild conditions, we rigorously prove that Fed-GO-UCB is able to achieve sub-linear rate for both cumulative regret and communication cost. At the heart of our theoretical analysis are distributed regression oracle and individual confidence set construction, which can be of independent interests. Empirical evaluations also demonstrate the effectiveness of the proposed algorithm.

Masked Image Modeling (MIM) is a new self-supervised vision pre-training paradigm using Vision Transformer (ViT). Previous works can be pixel-based or token-based, using original pixels or discrete visual tokens from parametric tokenizer models, respectively. Our proposed approach, CCViT, leverages k-means clustering to obtain centroids for image modeling without supervised training of tokenizer model. The centroids represent patch pixels and index tokens and have the property of local invariance. Non-parametric centroid tokenizer only takes seconds to create and is faster for token inference. Specifically, we adopt patch masking and centroid replacement strategies to construct corrupted inputs, and two stacked encoder blocks to predict corrupted patch tokens and reconstruct original patch pixels. Experiments show that the ViT-B model with only 300 epochs achieves 84.3\% top-1 accuracy on ImageNet-1K classification and 51.6\% on ADE20K semantic segmentation. Our approach achieves competitive results with BEiTv2 without distillation training from other models and outperforms other methods such as MAE.

Large language models (LLMs) have significantly impacted many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the accumulative nature of knowledge, often relying on a single time stamp. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating and updating LLMs' non-parametric chronological knowledge. Our evaluation shows: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that our framework successfully updates the overall knowledge across the entire timeline in both the biomedical domain (+11.9%) and the general domain (+2.8%), demonstrating its effectiveness in refining temporal knowledge. This non-parametric approach also enables knowledge updates not only in open-source models but also in proprietary LLMs, ensuring comprehensive applicability across model types. We perform a comprehensive analysis based on temporal characteristics of ChroKnowPrompt and validate the potential of various models to elicit intrinsic temporal knowledge through our method.

Large Language Models (LLMs) have advanced rapidly but face significant memory demands. While quantization has shown promise for LLMs, current methods typically require lengthy training to alleviate the performance degradation from quantization loss. However, deploying LLMs across diverse scenarios with different resource constraints, e.g., servers and personal computers, requires repeated training per application, which amplifies the lengthy training problem. Given that, it is advantageous to train a once-for-all (OFA) supernet capable of yielding diverse optimal subnets for downstream applications through one-shot training. Nonetheless, the scale of current language models impedes efficiency and amplifies interference from weight sharing between subnets. We make an initial attempt to extend the once-for-all framework to large language models. Specifically, we decouple shared weights to eliminate the interference and incorporate Low-Rank adapters for training efficiency. Furthermore, we observe the imbalance allocation of training resources from the traditional uniform sampling. A non-parametric scheduler is introduced to adjust the sampling rate for each quantization configuration, achieving a more balanced allocation among subnets with varying demands. We validate the approach on LLaMA2 families, and downstream evaluation confirms our ability to maintain high performance while significantly reducing deployment time faced with multiple scenarios.

To investigate whether the pleurae, airways and vessels surrounding a nodule on non-contrast computed tomography (CT) can discriminate benign and malignant pulmonary nodules. The LIDC-IDRI dataset, one of the largest publicly available CT database, was exploited for study. A total of 1556 nodules from 694 patients were involved in statistical analysis, where nodules with average scorings <3 and >3 were respectively denoted as benign and malignant. Besides, 339 nodules from 113 patients with diagnosis ground-truth were independently evaluated. Computer algorithms were developed to segment pulmonary structures and quantify the distances to pleural surface, airways and vessels, as well as the counting number and normalized volume of airways and vessels near a nodule. Odds ratio (OR) and Chi-square (\chi^2) testing were performed to demonstrate the correlation between features of surrounding structures and nodule malignancy. A non-parametric receiver operating characteristic (ROC) analysis was conducted in logistic regression to evaluate discrimination ability of each structure. For benign and malignant groups, the average distances from nodules to pleural surface, airways and vessels are respectively (6.56, 5.19), (37.08, 26.43) and (1.42, 1.07) mm. The correlation between nodules and the counting number of airways and vessels that contact or project towards nodules are respectively (OR=22.96, \chi^2=105.04) and (OR=7.06, \chi^2=290.11). The correlation between nodules and the volume of airways and vessels are (OR=9.19, \chi^2=159.02) and (OR=2.29, \chi^2=55.89). The areas-under-curves (AUCs) for pleurae, airways and vessels are respectively 0.5202, 0.6943 and 0.6529. Our results show that malignant nodules are often surrounded by more pulmonary structures compared with benign ones, suggesting that features of these structures could be viewed as lung cancer biomarkers.

To deduce new facts on a knowledge graph (KG), a link predictor learns from the graph structure and collects local evidence to find the answer to a given query. However, existing methods suffer from a severe scalability problem due to the utilization of the whole KG for prediction, which hinders their promise on large scale KGs and cannot be directly addressed by vanilla sampling methods. In this work, we propose the one-shot-subgraph link prediction to achieve efficient and adaptive prediction. The design principle is that, instead of directly acting on the whole KG, the prediction procedure is decoupled into two steps, i.e., (i) extracting only one subgraph according to the query and (ii) predicting on this single, query dependent subgraph. We reveal that the non-parametric and computation-efficient heuristics Personalized PageRank (PPR) can effectively identify the potential answers and supporting evidence. With efficient subgraph-based prediction, we further introduce the automated searching of the optimal configurations in both data and model spaces. Empirically, we achieve promoted efficiency and leading performances on five large-scale benchmarks. The code is publicly available at: https://github.com/tmlr-group/one-shot-subgraph.

Normalising Flows are non-parametric statistical models characterised by their dual capabilities of density estimation and generation. This duality requires an inherently invertible architecture. However, the requirement of invertibility imposes constraints on their expressiveness, necessitating a large number of parameters and innovative architectural designs to achieve good results. Whilst flow-based models predominantly rely on neural-network-based transformations for expressive designs, alternative transformation methods have received limited attention. In this work, we present Ferumal flow, a novel kernelised normalising flow paradigm that integrates kernels into the framework. Our results demonstrate that a kernelised flow can yield competitive or superior results compared to neural network-based flows whilst maintaining parameter efficiency. Kernelised flows excel especially in the low-data regime, enabling flexible non-parametric density estimation in applications with sparse data availability.

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data, and leads to higher statistical power in a downstream application to genome-wide association studies.

Contextual bandits are a rich model for sequential decision making given side information, with important applications, e.g., in recommender systems. We propose novel algorithms for contextual bandits harnessing neural networks to approximate the unknown reward function. We resolve the open problem of proving sublinear regret bounds in this setting for general context sequences, considering both fully-connected and convolutional networks. To this end, we first analyze NTK-UCB, a kernelized bandit optimization algorithm employing the Neural Tangent Kernel (NTK), and bound its regret in terms of the NTK maximum information gain gamma_T, a complexity parameter capturing the difficulty of learning. Our bounds on gamma_T for the NTK may be of independent interest. We then introduce our neural network based algorithm NN-UCB, and show that its regret closely tracks that of NTK-UCB. Under broad non-parametric assumptions about the reward function, our approach converges to the optimal policy at a mathcal{O}(T^{-1/2d}) rate, where d is the dimension of the context.

We challenge a common assumption underlying most supervised deep learning: that a model makes a prediction depending only on its parameters and the features of a single input. To this end, we introduce a general-purpose deep learning architecture that takes as input the entire dataset instead of processing one datapoint at a time. Our approach uses self-attention to reason about relationships between datapoints explicitly, which can be seen as realizing non-parametric models using parametric attention mechanisms. However, unlike conventional non-parametric models, we let the model learn end-to-end from the data how to make use of other datapoints for prediction. Empirically, our models solve cross-datapoint lookup and complex reasoning tasks unsolvable by traditional deep learning models. We show highly competitive results on tabular data, early results on CIFAR-10, and give insight into how the model makes use of the interactions between points.

Augmented Language Models (ALMs) blend the reasoning capabilities of Large Language Models (LLMs) with tools that allow for knowledge retrieval and action execution. Existing ALM systems trigger LLM thought processes while pulling observations from these tools in an interleaved fashion. Specifically, an LLM reasons to call an external tool, gets halted to fetch the tool's response, and then decides the next action based on all preceding response tokens. Such a paradigm, though straightforward and easy to implement, often leads to huge computation complexity from redundant prompts and repeated execution. This study addresses such challenges for the first time, proposing a modular paradigm ReWOO (Reasoning WithOut Observation) that detaches the reasoning process from external observations, thus significantly reducing token consumption. Comprehensive evaluations across six public NLP benchmarks and a curated dataset reveal consistent performance enhancements with our proposed methodology. Notably, ReWOO achieves 5x token efficiency and 4% accuracy improvement on HotpotQA, a multi-step reasoning benchmark. Furthermore, ReWOO demonstrates robustness under tool-failure scenarios. Beyond prompt efficiency, decoupling parametric modules from non-parametric tool calls enables instruction fine-tuning to offload LLMs into smaller language models, thus substantially reducing model parameters. Our illustrative work offloads reasoning ability from 175B GPT3.5 into 7B LLaMA, demonstrating the significant potential for truly efficient and scalable ALM systems.

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Failure mode and effects analysis (FMEA) is a critical tool for mitigating potential failures, particular during ramp-up phases of new products. However, its effectiveness is often limited by the missing reasoning capabilities of the FMEA tools, which are usually tabular structured. Meanwhile, large language models (LLMs) offer novel prospects for fine-tuning on custom datasets for reasoning within FMEA contexts. However, LLMs face challenges in tasks that require factual knowledge, a gap that retrieval-augmented generation (RAG) approaches aim to fill. RAG retrieves information from a non-parametric data store and uses a language model to generate responses. Building on this idea, we propose to advance the non-parametric data store with a knowledge graph (KG). By enhancing the RAG framework with a KG, our objective is to leverage analytical and semantic question-answering capabilities on FMEA data. This paper contributes by presenting a new ontology for FMEA observations, an algorithm for creating vector embeddings from the FMEA KG, and a KG enhanced RAG framework. Our approach is validated through a human study and we measure the performance of the context retrieval recall and precision.

There has been some recent interest in detecting and addressing memorization of training data by deep neural networks. A formal framework for memorization in generative models, called "data-copying," was proposed by Meehan et. al. (2020). We build upon their work to show that their framework may fail to detect certain kinds of blatant memorization. Motivated by this and the theory of non-parametric methods, we provide an alternative definition of data-copying that applies more locally. We provide a method to detect data-copying, and provably show that it works with high probability when enough data is available. We also provide lower bounds that characterize the sample requirement for reliable detection.

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

Large language models (LLMs) often hallucinate and lack the ability to provide attribution for their generations. Semi-parametric LMs, such as kNN-LM, approach these limitations by refining the output of an LM for a given prompt using its nearest neighbor matches in a non-parametric data store. However, these models often exhibit slow inference speeds and produce non-fluent texts. In this paper, we introduce Nearest Neighbor Speculative Decoding (NEST), a novel semi-parametric language modeling approach that is capable of incorporating real-world text spans of arbitrary length into the LM generations and providing attribution to their sources. NEST performs token-level retrieval at each inference step to compute a semi-parametric mixture distribution and identify promising span continuations in a corpus. It then uses an approximate speculative decoding procedure that accepts a prefix of the retrieved span or generates a new token. NEST significantly enhances the generation quality and attribution rate of the base LM across a variety of knowledge-intensive tasks, surpassing the conventional kNN-LM method and performing competitively with in-context retrieval augmentation. In addition, NEST substantially improves the generation speed, achieving a 1.8x speedup in inference time when applied to Llama-2-Chat 70B.

Large language models augmented with task-relevant documents have demonstrated impressive performance on knowledge-intensive tasks. However, regarding how to obtain effective documents, the existing methods are mainly divided into two categories. One is to retrieve from an external knowledge base, and the other is to utilize large language models to generate documents. We propose an iterative retrieval-generation collaborative framework. It is not only able to leverage both parametric and non-parametric knowledge, but also helps to find the correct reasoning path through retrieval-generation interactions, which is very important for tasks that require multi-step reasoning. We conduct experiments on four question answering datasets, including single-hop QA and multi-hop QA tasks. Empirical results show that our method significantly improves the reasoning ability of large language models and outperforms previous baselines.

Large pre-trained language models have been shown to store factual knowledge in their parameters, and achieve state-of-the-art results when fine-tuned on downstream NLP tasks. However, their ability to access and precisely manipulate knowledge is still limited, and hence on knowledge-intensive tasks, their performance lags behind task-specific architectures. Additionally, providing provenance for their decisions and updating their world knowledge remain open research problems. Pre-trained models with a differentiable access mechanism to explicit non-parametric memory can overcome this issue, but have so far been only investigated for extractive downstream tasks. We explore a general-purpose fine-tuning recipe for retrieval-augmented generation (RAG) -- models which combine pre-trained parametric and non-parametric memory for language generation. We introduce RAG models where the parametric memory is a pre-trained seq2seq model and the non-parametric memory is a dense vector index of Wikipedia, accessed with a pre-trained neural retriever. We compare two RAG formulations, one which conditions on the same retrieved passages across the whole generated sequence, the other can use different passages per token. We fine-tune and evaluate our models on a wide range of knowledge-intensive NLP tasks and set the state-of-the-art on three open domain QA tasks, outperforming parametric seq2seq models and task-specific retrieve-and-extract architectures. For language generation tasks, we find that RAG models generate more specific, diverse and factual language than a state-of-the-art parametric-only seq2seq baseline.

While Retrieval-Augmented Generation (RAG) has exhibited promise in utilizing external knowledge, its generation process heavily depends on the quality and accuracy of the retrieved context. Large language models (LLMs) struggle to evaluate the correctness of non-parametric knowledge retrieved externally when it differs from internal memorization, leading to knowledge conflicts during response generation. To this end, we introduce the Retrieval Preference Optimization (RPO), a lightweight and effective alignment method to adaptively leverage multi-source knowledge based on retrieval relevance. An implicit representation of retrieval relevance is derived and incorporated into the reward model to integrate retrieval evaluation and response generation into a single model, solving the problem that previous methods necessitate the additional procedure to assess the retrieval quality. Notably, RPO is the only RAG-dedicated alignment approach that quantifies the awareness of retrieval relevance in training, overcoming mathematical obstacles. Experiments on four datasets demonstrate that RPO outperforms RAG by 4-10% in accuracy without any extra component, exhibiting its robust generalization.

While current large language models (LLMs) demonstrate some capabilities in knowledge-intensive tasks, they are limited by relying on their parameters as an implicit storage mechanism. As a result, they struggle with infrequent knowledge and temporal degradation. In addition, the uninterpretable nature of parametric memorization makes it challenging to understand and prevent hallucination. Parametric memory pools and model editing are only partial solutions. Retrieval Augmented Generation (RAG) x2013 though non-parametric x2013 has its own limitations: it lacks structure, complicates interpretability and makes it hard to effectively manage stored knowledge. In this paper, we introduce MemLLM, a novel method of enhancing LLMs by integrating a structured and explicit read-and-write memory module. MemLLM tackles the aforementioned challenges by enabling dynamic interaction with the memory and improving the LLM's capabilities in using stored knowledge. Our experiments indicate that MemLLM enhances the LLM's performance and interpretability, in language modeling in general and knowledge-intensive tasks in particular. We see MemLLM as an important step towards making LLMs more grounded and factual through memory augmentation.

Co-occurrence networks are an important method in the field of natural language processing and text mining for discovering semantic relationships within texts. However, the traditional traversal algorithm for constructing co-occurrence networks has high time complexity and space complexity when dealing with large-scale text data. In this paper, we propose an optimized algorithm based on inverted indexing and breadth-first search to improve the efficiency of co-occurrence network construction and reduce memory consumption. Firstly, the traditional traversal algorithm is analyzed, and its performance issues in constructing co-occurrence networks are identified. Then, the detailed implementation process of the optimized algorithm is presented. Subsequently, the CSL large-scale Chinese scientific literature dataset is used for experimental validation, comparing the performance of the traditional traversal algorithm and the optimized algorithm in terms of running time and memory usage. Finally, using non-parametric test methods, the optimized algorithm is proven to have significantly better performance than the traditional traversal algorithm. The research in this paper provides an effective method for the rapid construction of co-occurrence networks, contributing to the further development of the Information Organization fields.

We explore the problem of Incremental Generalized Category Discovery (IGCD). This is a challenging category incremental learning setting where the goal is to develop models that can correctly categorize images from previously seen categories, in addition to discovering novel ones. Learning is performed over a series of time steps where the model obtains new labeled and unlabeled data, and discards old data, at each iteration. The difficulty of the problem is compounded in our generalized setting as the unlabeled data can contain images from categories that may or may not have been observed before. We present a new method for IGCD which combines non-parametric categorization with efficient image sampling to mitigate catastrophic forgetting. To quantify performance, we propose a new benchmark dataset named iNatIGCD that is motivated by a real-world fine-grained visual categorization task. In our experiments we outperform existing related methods

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

This paper introduces a new data-driven, non-parametric method for image quality and aesthetics assessment, surpassing existing approaches and requiring no prompt engineering or fine-tuning. We eliminate the need for expressive textual embeddings by proposing efficient image anchors in the data. Through extensive evaluations of 7 state-of-the-art self-supervised models, our method demonstrates superior performance and robustness across various datasets and benchmarks. Notably, it achieves high agreement with human assessments even with limited data and shows high robustness to the nature of data and their pre-processing pipeline. Our contributions offer a streamlined solution for assessment of images while providing insights into the perception of visual information.

One of the central challenges in modern cosmology is understanding the nature of dark energy and its evolution throughout the history of the Universe. Dark energy is commonly modeled as a perfect fluid with a time-varying equation-of-state parameter, w(z), often modeled under CPL parametrization using two parameters w_0 and w_a. In this study, we explore both parametric and non-parametric methods to reconstruct the dark energy Equation of State (EoS) using Gravitational Wave (GW) sources, with and without electromagnetic (EM) counterparts called as bright sirens and dark sirens respectively. In the parametric approach, we extend the widely used w_0-w_a model by introducing an additional term, w_b, to better capture the evolving dynamics of dark energy up to high redshift which is accessible from GW sources. This extension provides increased flexibility in modeling the EoS and enables a more detailed investigation of dark energy's evolution. Our analysis indicates that, with five years of observation time and a 75% duty cycle using Cosmic Explorer and the Einstein Telescope, it will be possible to measure the dark energy EoS with remarkable precision better than any other cosmological probes in the coming years from bright standard sirens using multi-messenger avenue. These findings highlight the potential of GW observations in synergy with EM telescopes to offer valuable insights into the nature of dark energy, overcoming the current limitations in cosmological measurements.

Retrieval-augmented generation (RAG) has revitalized Large Language Models (LLMs) by injecting non-parametric factual knowledge. Compared with long-context LLMs, RAG is considered an effective summarization tool in a more concise and lightweight manner, which can interact with LLMs multiple times using diverse queries to get comprehensive responses. However, the LLM-generated historical responses, which contain potentially insightful information, are largely neglected and discarded by existing approaches, leading to suboptimal results. In this paper, we propose graph of records (GoR), which leverages historical responses generated by LLMs to enhance RAG for long-context global summarization. Inspired by the retrieve-then-generate paradigm of RAG, we construct a graph by establishing an edge between the retrieved text chunks and the corresponding LLM-generated response. To further uncover the intricate correlations between them, GoR further features a graph neural network and an elaborately designed BERTScore-based objective for self-supervised model training, enabling seamless supervision signal backpropagation between reference summaries and node embeddings. We comprehensively compare GoR with 12 baselines across four long-context summarization datasets, and the results indicate that our proposed method reaches the best performance e.g., 15\%, 8\%, and 19\% improvement over retrievers w.r.t. Rouge-L, Rouge-1, and Rouge-2 on the WCEP dataset). Extensive experiments further demonstrate the effectiveness of GoR. Code is available at https://github.com/ulab-uiuc/GoR

By integrating external knowledge, Retrieval-Augmented Generation (RAG) has become an effective strategy for mitigating the hallucination problems that large language models (LLMs) encounter when dealing with knowledge-intensive tasks. However, in the process of integrating external non-parametric supporting evidence with internal parametric knowledge, inevitable knowledge conflicts may arise, leading to confusion in the model's responses. To enhance the knowledge selection of LLMs in various contexts, some research has focused on refining their behavior patterns through instruction-tuning. Nonetheless, due to the absence of explicit negative signals and comparative objectives, models fine-tuned in this manner may still exhibit undesirable behaviors such as contextual ignorance and contextual overinclusion. To this end, we propose a Knowledge-aware Preference Optimization strategy, dubbed KnowPO, aimed at achieving adaptive knowledge selection based on contextual relevance in real retrieval scenarios. Concretely, we proposed a general paradigm for constructing knowledge conflict datasets, which comprehensively cover various error types and learn how to avoid these negative signals through preference optimization methods. Simultaneously, we proposed a rewriting strategy and data ratio optimization strategy to address preference imbalances. Experimental results show that KnowPO outperforms previous methods for handling knowledge conflicts by over 37\%, while also exhibiting robust generalization across various out-of-distribution datasets.

Large language models (LLMs) have shown superior performance without task-specific fine-tuning. Despite the success, the knowledge stored in the parameters of LLMs could still be incomplete and difficult to update due to the computational costs. As complementary, retrieval-based methods can offer non-parametric world knowledge and improve the performance on tasks such as question answering. However, we find that the retrieved knowledge does not always help and even has a negative impact on original responses occasionally. To better make use of both internal knowledge and external world knowledge, we investigate eliciting the model's ability to recognize what they know and do not know (which is also called self-knowledge) and propose Self-Knowledge guided Retrieval augmentation (SKR), a simple yet effective method which can let LLMs refer to the questions they have previously encountered and adaptively call for external resources when dealing with new questions. We evaluate SKR on multiple datasets and demonstrate that it outperforms chain-of-thought based and fully retrieval-based methods by using either InstructGPT or ChatGPT.

Correlation based stereo matching has achieved outstanding performance, which pursues cost volume between two feature maps. Unfortunately, current methods with a fixed model do not work uniformly well across various datasets, greatly limiting their real-world applicability. To tackle this issue, this paper proposes a new perspective to dynamically calculate correlation for robust stereo matching. A novel Uncertainty Guided Adaptive Correlation (UGAC) module is introduced to robustly adapt the same model for different scenarios. Specifically, a variance-based uncertainty estimation is employed to adaptively adjust the sampling area during warping operation. Additionally, we improve the traditional non-parametric warping with learnable parameters, such that the position-specific weights can be learned. We show that by empowering the recurrent network with the UGAC module, stereo matching can be exploited more robustly and effectively. Extensive experiments demonstrate that our method achieves state-of-the-art performance over the ETH3D, KITTI, and Middlebury datasets when employing the same fixed model over these datasets without any retraining procedure. To target real-time applications, we further design a lightweight model based on UGAC, which also outperforms other methods over KITTI benchmarks with only 0.6 M parameters.

In this work, we propose a simple method that applies a large language model (LLM) to large-scale retrieval in zero-shot scenarios. Our method, the Language language model as Retriever (LameR), is built upon no other neural models but an LLM, while breaking brute-force combinations of retrievers with LLMs and lifting the performance of zero-shot retrieval to be very competitive on benchmark datasets. Essentially, we propose to augment a query with its potential answers by prompting LLMs with a composition of the query and the query's in-domain candidates. The candidates, regardless of correct or wrong, are obtained by a vanilla retrieval procedure on the target collection. As a part of the prompts, they are likely to help LLM generate more precise answers by pattern imitation or candidate summarization. Even if all the candidates are wrong, the prompts at least make LLM aware of in-collection patterns and genres. Moreover, due to the low performance of a self-supervised retriever, the LLM-based query augmentation becomes less effective as the retriever bottlenecks the whole pipeline. Therefore, we propose to leverage a non-parametric lexicon-based method (e.g., BM25) as the retrieval module to capture query-document overlap in a literal fashion. As such, LameR makes the retrieval procedure transparent to the LLM, thus circumventing the performance bottleneck.

While visual imitation learning offers one of the most effective ways of learning from visual demonstrations, generalizing from them requires either hundreds of diverse demonstrations, task specific priors, or large, hard-to-train parametric models. One reason such complexities arise is because standard visual imitation frameworks try to solve two coupled problems at once: learning a succinct but good representation from the diverse visual data, while simultaneously learning to associate the demonstrated actions with such representations. Such joint learning causes an interdependence between these two problems, which often results in needing large amounts of demonstrations for learning. To address this challenge, we instead propose to decouple representation learning from behavior learning for visual imitation. First, we learn a visual representation encoder from offline data using standard supervised and self-supervised learning methods. Once the representations are trained, we use non-parametric Locally Weighted Regression to predict the actions. We experimentally show that this simple decoupling improves the performance of visual imitation models on both offline demonstration datasets and real-robot door opening compared to prior work in visual imitation. All of our generated data, code, and robot videos are publicly available at https://jyopari.github.io/VINN/.

Stochastic gradient Markov Chain Monte Carlo (SGMCMC) is considered the gold standard for Bayesian inference in large-scale models, such as Bayesian neural networks. Since practitioners face speed versus accuracy tradeoffs in these models, variational inference (VI) is often the preferable option. Unfortunately, VI makes strong assumptions on both the factorization and functional form of the posterior. In this work, we propose a new non-parametric variational approximation that makes no assumptions about the approximate posterior's functional form and allows practitioners to specify the exact dependencies the algorithm should respect or break. The approach relies on a new Langevin-type algorithm that operates on a modified energy function, where parts of the latent variables are averaged over samples from earlier iterations of the Markov chain. This way, statistical dependencies can be broken in a controlled way, allowing the chain to mix faster. This scheme can be further modified in a "dropout" manner, leading to even more scalability. We test our scheme for ResNet-20 on CIFAR-10, SVHN, and FMNIST. In all cases, we find improvements in convergence speed and/or final accuracy compared to SG-MCMC and VI.

Experiments with pre-trained models such as BERT are often based on a single checkpoint. While the conclusions drawn apply to the artifact tested in the experiment (i.e., the particular instance of the model), it is not always clear whether they hold for the more general procedure which includes the architecture, training data, initialization scheme, and loss function. Recent work has shown that repeating the pre-training process can lead to substantially different performance, suggesting that an alternate strategy is needed to make principled statements about procedures. To enable researchers to draw more robust conclusions, we introduce the MultiBERTs, a set of 25 BERT-Base checkpoints, trained with similar hyper-parameters as the original BERT model but differing in random weight initialization and shuffling of training data. We also define the Multi-Bootstrap, a non-parametric bootstrap method for statistical inference designed for settings where there are multiple pre-trained models and limited test data. To illustrate our approach, we present a case study of gender bias in coreference resolution, in which the Multi-Bootstrap lets us measure effects that may not be detected with a single checkpoint. We release our models and statistical library along with an additional set of 140 intermediate checkpoints captured during pre-training to facilitate research on learning dynamics.

Retrieval-Augmented Large Language Models (LLMs), which incorporate the non-parametric knowledge from external knowledge bases into LLMs, have emerged as a promising approach to enhancing response accuracy in several tasks, such as Question-Answering (QA). However, even though there are various approaches dealing with queries of different complexities, they either handle simple queries with unnecessary computational overhead or fail to adequately address complex multi-step queries; yet, not all user requests fall into only one of the simple or complex categories. In this work, we propose a novel adaptive QA framework, that can dynamically select the most suitable strategy for (retrieval-augmented) LLMs from the simplest to the most sophisticated ones based on the query complexity. Also, this selection process is operationalized with a classifier, which is a smaller LM trained to predict the complexity level of incoming queries with automatically collected labels, obtained from actual predicted outcomes of models and inherent inductive biases in datasets. This approach offers a balanced strategy, seamlessly adapting between the iterative and single-step retrieval-augmented LLMs, as well as the no-retrieval methods, in response to a range of query complexities. We validate our model on a set of open-domain QA datasets, covering multiple query complexities, and show that ours enhances the overall efficiency and accuracy of QA systems, compared to relevant baselines including the adaptive retrieval approaches. Code is available at: https://github.com/starsuzi/Adaptive-RAG.

Large Language Models (LLMs) struggle to handle long input sequences due to high memory and runtime costs. Memory-augmented models have emerged as a promising solution to this problem, but current methods are hindered by limited memory capacity and require costly re-training to integrate with a new LLM. In this work, we introduce an associative memory module which can be coupled to any pre-trained (frozen) attention-based LLM without re-training, enabling it to handle arbitrarily long input sequences. Unlike previous methods, our associative memory module consolidates representations of individual tokens into a non-parametric distribution model, dynamically managed by properly balancing the novelty and recency of the incoming data. By retrieving information from this consolidated associative memory, the base LLM can achieve significant (up to 29.7% on Arxiv) perplexity reduction in long-context modeling compared to other baselines evaluated on standard benchmarks. This architecture, which we call CAMELoT (Consolidated Associative Memory Enhanced Long Transformer), demonstrates superior performance even with a tiny context window of 128 tokens, and also enables improved in-context learning with a much larger set of demonstrations.

Identifying defect patterns in a wafer map during manufacturing is crucial to find the root cause of the underlying issue and provides valuable insights on improving yield in the foundry. Currently used methods use deep neural networks to identify the defects. These methods are generally very huge and have significant inference time. They also require GPU support to efficiently operate. All these issues make these models not fit for on-line prediction in the manufacturing foundry. In this paper, we propose an extremely simple yet effective technique to extract features from wafer images. The proposed method is extremely fast, intuitive, and non-parametric while being explainable. The experiment results show that the proposed pipeline outperforms conventional deep learning models. Our feature extraction requires no training or fine-tuning while preserving the relative shape and location of data points as revealed by our interpretability analysis.

Generative Adversarial Networks (GANs) can generate near photo realistic images in narrow domains such as human faces. Yet, modeling complex distributions of datasets such as ImageNet and COCO-Stuff remains challenging in unconditional settings. In this paper, we take inspiration from kernel density estimation techniques and introduce a non-parametric approach to modeling distributions of complex datasets. We partition the data manifold into a mixture of overlapping neighborhoods described by a datapoint and its nearest neighbors, and introduce a model, called instance-conditioned GAN (IC-GAN), which learns the distribution around each datapoint. Experimental results on ImageNet and COCO-Stuff show that IC-GAN significantly improves over unconditional models and unsupervised data partitioning baselines. Moreover, we show that IC-GAN can effortlessly transfer to datasets not seen during training by simply changing the conditioning instances, and still generate realistic images. Finally, we extend IC-GAN to the class-conditional case and show semantically controllable generation and competitive quantitative results on ImageNet; while improving over BigGAN on ImageNet-LT. Code and trained models to reproduce the reported results are available at https://github.com/facebookresearch/ic_gan.

Speculative decoding (SD) accelerates Large Language Model (LLM) generation by using an efficient draft model to propose the next few tokens, which are verified by the LLM in a single forward call, reducing latency while preserving its outputs. We focus on retrieval-based SD where the draft model retrieves the next tokens from a non-parametric datastore. Sparse retrieval (REST), which operates on the surface form of strings, is currently the dominant paradigm due to its simplicity and scalability. However, its effectiveness is limited due to the usage of short contexts and exact string matching. Instead, we introduce Dense Retrieval for Speculative Decoding (DReSD), a novel framework that uses approximate nearest neighbour search with contextualised token embeddings to retrieve the most semantically relevant token sequences for SD. Extensive experiments show that DReSD achieves (on average) 87% higher acceptance rates, 65% longer accepted tokens and 19% faster generation speeds compared to sparse retrieval (REST).

We study both stream-based and pool-based active learning with neural network approximations. A recent line of works proposed bandit-based approaches that transformed active learning into a bandit problem, achieving both theoretical and empirical success. However, the performance and computational costs of these methods may be susceptible to the number of classes, denoted as K, due to this transformation. Therefore, this paper seeks to answer the question: "How can we mitigate the adverse impacts of K while retaining the advantages of principled exploration and provable performance guarantees in active learning?" To tackle this challenge, we propose two algorithms based on the newly designed exploitation and exploration neural networks for stream-based and pool-based active learning. Subsequently, we provide theoretical performance guarantees for both algorithms in a non-parametric setting, demonstrating a slower error-growth rate concerning K for the proposed approaches. We use extensive experiments to evaluate the proposed algorithms, which consistently outperform state-of-the-art baselines.

Retrieval-augmented language models (RaLM) have demonstrated the potential to solve knowledge-intensive natural language processing (NLP) tasks by combining a non-parametric knowledge base with a parametric language model. Instead of fine-tuning a fully parametric model, RaLM excels at its low-cost adaptation to the latest data and better source attribution mechanisms. Among various RaLM approaches, iterative RaLM delivers a better generation quality due to a more frequent interaction between the retriever and the language model. Despite the benefits, iterative RaLM usually encounters high overheads due to the frequent retrieval step. To this end, we propose RaLMSpec, a speculation-inspired framework that provides generic speed-up over iterative RaLM while preserving the same model outputs through speculative retrieval and batched verification. By further incorporating prefetching, optimal speculation stride scheduler, and asynchronous verification, RaLMSpec can automatically exploit the acceleration potential to the fullest. For naive iterative RaLM serving, extensive evaluations over three language models on four downstream QA datasets demonstrate that RaLMSpec can achieve a speed-up ratio of 1.75-2.39x, 1.04-1.39x, and 1.31-1.77x when the retriever is an exact dense retriever, approximate dense retriever, and sparse retriever respectively compared with the baseline. For KNN-LM serving, RaLMSpec can achieve a speed-up ratio up to 7.59x and 2.45x when the retriever is an exact dense retriever and approximate dense retriever, respectively, compared with the baseline.

This report overviews our ongoing work in enriching chain-of-thoughts datasets requiring arithmetical reasoning with the integration of non-parametric components, such as a calculator. We conduct an analysis of prominent relevant datasets such as GSM8K, Ape210K, AQuA-RAT, and MathQA and propose a machine-processable HTML-like format specifically tailored for working with semi-structured chains. By converting the datasets into this unified format, we enable the effective integration of large language models and symbolic systems, empowering them to tackle arithmetical reasoning tasks more efficiently.

We introduce Robust Exploration via Clustering-based Online Density Estimation (RECODE), a non-parametric method for novelty-based exploration that estimates visitation counts for clusters of states based on their similarity in a chosen embedding space. By adapting classical clustering to the nonstationary setting of Deep RL, RECODE can efficiently track state visitation counts over thousands of episodes. We further propose a novel generalization of the inverse dynamics loss, which leverages masked transformer architectures for multi-step prediction; which in conjunction with RECODE achieves a new state-of-the-art in a suite of challenging 3D-exploration tasks in DM-Hard-8. RECODE also sets new state-of-the-art in hard exploration Atari games, and is the first agent to reach the end screen in "Pitfall!".

Generative Adversarial Networks (GANs) have shown compelling results in various tasks and applications in recent years. However, mode collapse remains a critical problem in GANs. In this paper, we propose a novel training pipeline to address the mode collapse issue of GANs. Different from existing methods, we propose to generalize the discriminator as feature embedding and maximize the entropy of distributions in the embedding space learned by the discriminator. Specifically, two regularization terms, i.e., Deep Local Linear Embedding (DLLE) and Deep Isometric feature Mapping (DIsoMap), are designed to encourage the discriminator to learn the structural information embedded in the data, such that the embedding space learned by the discriminator can be well-formed. Based on the well-learned embedding space supported by the discriminator, a non-parametric entropy estimator is designed to efficiently maximize the entropy of embedding vectors, playing as an approximation of maximizing the entropy of the generated distribution. By improving the discriminator and maximizing the distance of the most similar samples in the embedding space, our pipeline effectively reduces the mode collapse without sacrificing the quality of generated samples. Extensive experimental results show the effectiveness of our method, which outperforms the GAN baseline, MaF-GAN on CelebA (9.13 vs. 12.43 in FID) and surpasses the recent state-of-the-art energy-based model on the ANIME-FACE dataset (2.80 vs. 2.26 in Inception score). The code is available at https://github.com/HaozheLiu-ST/MEE

Kernel continual learning by derakhshani2021kernel has recently emerged as a strong continual learner due to its non-parametric ability to tackle task interference and catastrophic forgetting. Unfortunately its success comes at the expense of an explicit memory to store samples from past tasks, which hampers scalability to continual learning settings with a large number of tasks. In this paper, we introduce generative kernel continual learning, which explores and exploits the synergies between generative models and kernels for continual learning. The generative model is able to produce representative samples for kernel learning, which removes the dependence on memory in kernel continual learning. Moreover, as we replay only on the generative model, we avoid task interference while being computationally more efficient compared to previous methods that need replay on the entire model. We further introduce a supervised contrastive regularization, which enables our model to generate even more discriminative samples for better kernel-based classification performance. We conduct extensive experiments on three widely-used continual learning benchmarks that demonstrate the abilities and benefits of our contributions. Most notably, on the challenging SplitCIFAR100 benchmark, with just a simple linear kernel we obtain the same accuracy as kernel continual learning with variational random features for one tenth of the memory, or a 10.1\% accuracy gain for the same memory budget.

The ability to automatically estimate the quality and coverage of the samples produced by a generative model is a vital requirement for driving algorithm research. We present an evaluation metric that can separately and reliably measure both of these aspects in image generation tasks by forming explicit, non-parametric representations of the manifolds of real and generated data. We demonstrate the effectiveness of our metric in StyleGAN and BigGAN by providing several illustrative examples where existing metrics yield uninformative or contradictory results. Furthermore, we analyze multiple design variants of StyleGAN to better understand the relationships between the model architecture, training methods, and the properties of the resulting sample distribution. In the process, we identify new variants that improve the state-of-the-art. We also perform the first principled analysis of truncation methods and identify an improved method. Finally, we extend our metric to estimate the perceptual quality of individual samples, and use this to study latent space interpolations.

We study whether transformers can learn to implicitly reason over parametric knowledge, a skill that even the most capable language models struggle with. Focusing on two representative reasoning types, composition and comparison, we consistently find that transformers can learn implicit reasoning, but only through grokking, i.e., extended training far beyond overfitting. The levels of generalization also vary across reasoning types: when faced with out-of-distribution examples, transformers fail to systematically generalize for composition but succeed for comparison. We delve into the model's internals throughout training, conducting analytical experiments that reveal: 1) the mechanism behind grokking, such as the formation of the generalizing circuit and its relation to the relative efficiency of generalizing and memorizing circuits, and 2) the connection between systematicity and the configuration of the generalizing circuit. Our findings guide data and training setup to better induce implicit reasoning and suggest potential improvements to the transformer architecture, such as encouraging cross-layer knowledge sharing. Furthermore, we demonstrate that for a challenging reasoning task with a large search space, GPT-4-Turbo and Gemini-1.5-Pro based on non-parametric memory fail badly regardless of prompting styles or retrieval augmentation, while a fully grokked transformer can achieve near-perfect accuracy, showcasing the power of parametric memory for complex reasoning.

Large pre-trained language models have demonstrated their proficiency in storing factual knowledge within their parameters and achieving remarkable results when fine-tuned for downstream natural language processing tasks. Nonetheless, their capacity to access and manipulate knowledge with precision remains constrained, resulting in performance disparities on knowledge-intensive tasks when compared to task-specific architectures. Additionally, the challenges of providing provenance for model decisions and maintaining up-to-date world knowledge persist as open research frontiers. To address these limitations, the integration of pre-trained models with differentiable access mechanisms to explicit non-parametric memory emerges as a promising solution. This survey delves into the realm of language models (LMs) augmented with the ability to tap into external knowledge sources, including external knowledge bases and search engines. While adhering to the standard objective of predicting missing tokens, these augmented LMs leverage diverse, possibly non-parametric external modules to augment their contextual processing capabilities, departing from the conventional language modeling paradigm. Through an exploration of current advancements in augmenting large language models with knowledge, this work concludes that this emerging research direction holds the potential to address prevalent issues in traditional LMs, such as hallucinations, un-grounded responses, and scalability challenges.

We propose sorting patch representations across views as a novel self-supervised learning signal to improve pretrained representations. To this end, we introduce NeCo: Patch Neighbor Consistency, a novel training loss that enforces patch-level nearest neighbor consistency across a student and teacher model, relative to reference batches. Our method leverages a differentiable sorting method applied on top of pretrained representations, such as DINOv2-registers to bootstrap the learning signal and further improve upon them. This dense post-pretraining leads to superior performance across various models and datasets, despite requiring only 19 hours on a single GPU. We demonstrate that this method generates high-quality dense feature encoders and establish several new state-of-the-art results: +5.5% and + 6% for non-parametric in-context semantic segmentation on ADE20k and Pascal VOC, and +7.2% and +5.7% for linear segmentation evaluations on COCO-Things and -Stuff.

This survey reviews works in which language models (LMs) are augmented with reasoning skills and the ability to use tools. The former is defined as decomposing a potentially complex task into simpler subtasks while the latter consists in calling external modules such as a code interpreter. LMs can leverage these augmentations separately or in combination via heuristics, or learn to do so from demonstrations. While adhering to a standard missing tokens prediction objective, such augmented LMs can use various, possibly non-parametric external modules to expand their context processing ability, thus departing from the pure language modeling paradigm. We therefore refer to them as Augmented Language Models (ALMs). The missing token objective allows ALMs to learn to reason, use tools, and even act, while still performing standard natural language tasks and even outperforming most regular LMs on several benchmarks. In this work, after reviewing current advance in ALMs, we conclude that this new research direction has the potential to address common limitations of traditional LMs such as interpretability, consistency, and scalability issues.

The ability to generate SPARQL queries from natural language questions is crucial for ensuring efficient and accurate retrieval of structured data from knowledge graphs (KG). While large language models (LLMs) have been widely adopted for SPARQL query generation, they are often susceptible to hallucinations and out-of-distribution errors when producing KG elements like Uniform Resource Identifiers (URIs) based on internal parametric knowledge. This often results in content that appears plausible but is factually incorrect, posing significant challenges for their use in real-world information retrieval (IR) applications. This has led to increased research aimed at detecting and mitigating such errors. In this paper, we introduce PGMR (Post-Generation Memory Retrieval), a modular framework that incorporates a non-parametric memory module to retrieve KG elements and enhance LLM-based SPARQL query generation. Our experimental results indicate that PGMR consistently delivers strong performance across diverse datasets, data distributions, and LLMs. Notably, PGMR significantly mitigates URI hallucinations, nearly eliminating the problem in several scenarios.

Large language models (LLMs) need knowledge updates to meet the ever-growing world facts and correct the hallucinated responses, facilitating the methods of lifelong model editing. Where the updated knowledge resides in memories is a fundamental question for model editing. In this paper, we find that editing either long-term memory (direct model parameters) or working memory (non-parametric knowledge of neural network activations/representations by retrieval) will result in an impossible triangle -- reliability, generalization, and locality can not be realized together in the lifelong editing settings. For long-term memory, directly editing the parameters will cause conflicts with irrelevant pretrained knowledge or previous edits (poor reliability and locality). For working memory, retrieval-based activations can hardly make the model understand the edits and generalize (poor generalization). Therefore, we propose WISE to bridge the gap between memories. In WISE, we design a dual parametric memory scheme, which consists of the main memory for the pretrained knowledge and a side memory for the edited knowledge. We only edit the knowledge in the side memory and train a router to decide which memory to go through when given a query. For continual editing, we devise a knowledge-sharding mechanism where different sets of edits reside in distinct subspaces of parameters, and are subsequently merged into a shared memory without conflicts. Extensive experiments show that WISE can outperform previous model editing methods and overcome the impossible triangle under lifelong model editing of question answering, hallucination, and out-of-distribution settings across trending LLM architectures, e.g., GPT, LLaMA, and Mistral. Code will be released at https://github.com/zjunlp/EasyEdit.

Large language models are powerful text processors and reasoners, but are still subject to limitations including outdated knowledge and hallucinations, which necessitates connecting them to the world. Retrieval-augmented large language models have raised extensive attention for grounding model generation on external knowledge. However, retrievers struggle to capture relevance, especially for queries with complex information needs. Recent work has proposed to improve relevance modeling by having large language models actively involved in retrieval, i.e., to improve retrieval with generation. In this paper, we show that strong performance can be achieved by a method we call Iter-RetGen, which synergizes retrieval and generation in an iterative manner. A model output shows what might be needed to finish a task, and thus provides an informative context for retrieving more relevant knowledge which in turn helps generate a better output in the next iteration. Compared with recent work which interleaves retrieval with generation when producing an output, Iter-RetGen processes all retrieved knowledge as a whole and largely preserves the flexibility in generation without structural constraints. We evaluate Iter-RetGen on multi-hop question answering, fact verification, and commonsense reasoning, and show that it can flexibly leverage parametric knowledge and non-parametric knowledge, and is superior to or competitive with state-of-the-art retrieval-augmented baselines while causing fewer overheads of retrieval and generation. We can further improve performance via generation-augmented retrieval adaptation.

We present NablAFx, an open-source framework developed to support research in differentiable black-box and gray-box modeling of audio effects. Built in PyTorch, NablAFx offers a versatile ecosystem to configure, train, evaluate, and compare various architectural approaches. It includes classes to manage model architectures, datasets, and training, along with features to compute and log losses, metrics and media, and plotting functions to facilitate detailed analysis. It incorporates implementations of established black-box architectures and conditioning methods, as well as differentiable DSP blocks and controllers, enabling the creation of both parametric and non-parametric gray-box signal chains. The code is accessible at https://github.com/mcomunita/nablafx.

Large Language Models (LLMs) exhibit remarkable capabilities but are prone to generating inaccurate or hallucinatory responses. This limitation stems from their reliance on vast pretraining datasets, making them susceptible to errors in unseen scenarios. To tackle these challenges, Retrieval-Augmented Generation (RAG) addresses this by incorporating external, relevant documents into the response generation process, thus leveraging non-parametric knowledge alongside LLMs' in-context learning abilities. However, existing RAG implementations primarily focus on initial input for context retrieval, overlooking the nuances of ambiguous or complex queries that necessitate further clarification or decomposition for accurate responses. To this end, we propose learning to Refine Query for Retrieval Augmented Generation (RQ-RAG) in this paper, endeavoring to enhance the model by equipping it with capabilities for explicit rewriting, decomposition, and disambiguation. Our experimental results indicate that our method, when applied to a 7B Llama2 model, surpasses the previous state-of-the-art (SOTA) by an average of 1.9\% across three single-hop QA datasets, and also demonstrates enhanced performance in handling complex, multi-hop QA datasets. Our code is available at https://github.com/chanchimin/RQ-RAG.

Autoregressive models have achieved impressive results over a wide range of domains in terms of generation quality and downstream task performance. In the continuous domain, a key factor behind this success is the usage of quantized latent spaces (e.g., obtained via VQ-VAE autoencoders), which allow for dimensionality reduction and faster inference times. However, using existing pre-trained models to perform new non-trivial tasks is difficult since it requires additional fine-tuning or extensive training to elicit prompting. This paper introduces LASS as a way to perform vector-quantized Latent Autoregressive Source Separation (i.e., de-mixing an input signal into its constituent sources) without requiring additional gradient-based optimization or modifications of existing models. Our separation method relies on the Bayesian formulation in which the autoregressive models are the priors, and a discrete (non-parametric) likelihood function is constructed by performing frequency counts over latent sums of addend tokens. We test our method on images and audio with several sampling strategies (e.g., ancestral, beam search) showing competitive results with existing approaches in terms of separation quality while offering at the same time significant speedups in terms of inference time and scalability to higher dimensional data.

Because anomalous samples cannot be used for training, many anomaly detection and localization methods use pre-trained networks and non-parametric modeling to estimate encoded feature distribution. However, these methods neglect the impact of position and neighborhood information on the distribution of normal features. To overcome this, we propose a new algorithm, PNI, which estimates the normal distribution using conditional probability given neighborhood features, modeled with a multi-layer perceptron network. Moreover, position information is utilized by creating a histogram of representative features at each position. Instead of simply resizing the anomaly map, the proposed method employs an additional refine network trained on synthetic anomaly images to better interpolate and account for the shape and edge of the input image. We conducted experiments on the MVTec AD benchmark dataset and achieved state-of-the-art performance, with 99.56\% and 98.98\% AUROC scores in anomaly detection and localization, respectively.

While language Models store a massive amount of world knowledge implicitly in their parameters, even very large models often fail to encode information about rare entities and events, while incurring huge computational costs. Recently, retrieval-augmented models, such as REALM, RAG, and RETRO, have incorporated world knowledge into language generation by leveraging an external non-parametric index and have demonstrated impressive performance with constrained model sizes. However, these methods are restricted to retrieving only textual knowledge, neglecting the ubiquitous amount of knowledge in other modalities like images -- much of which contains information not covered by any text. To address this limitation, we propose the first Multimodal Retrieval-Augmented Transformer (MuRAG), which accesses an external non-parametric multimodal memory to augment language generation. MuRAG is pre-trained with a mixture of large-scale image-text and text-only corpora using a joint contrastive and generative loss. We perform experiments on two different datasets that require retrieving and reasoning over both images and text to answer a given query: WebQA, and MultimodalQA. Our results show that MuRAG achieves state-of-the-art accuracy, outperforming existing models by 10-20\% absolute on both datasets and under both distractor and full-wiki settings.

Vision transformers have recently achieved competitive results across various vision tasks but still suffer from heavy computation costs when processing a large number of tokens. Many advanced approaches have been developed to reduce the total number of tokens in large-scale vision transformers, especially for image classification tasks. Typically, they select a small group of essential tokens according to their relevance with the class token, then fine-tune the weights of the vision transformer. Such fine-tuning is less practical for dense prediction due to the much heavier computation and GPU memory cost than image classification. In this paper, we focus on a more challenging problem, i.e., accelerating large-scale vision transformers for dense prediction without any additional re-training or fine-tuning. In response to the fact that high-resolution representations are necessary for dense prediction, we present two non-parametric operators, a token clustering layer to decrease the number of tokens and a token reconstruction layer to increase the number of tokens. The following steps are performed to achieve this: (i) we use the token clustering layer to cluster the neighboring tokens together, resulting in low-resolution representations that maintain the spatial structures; (ii) we apply the following transformer layers only to these low-resolution representations or clustered tokens; and (iii) we use the token reconstruction layer to re-create the high-resolution representations from the refined low-resolution representations. The results obtained by our method are promising on five dense prediction tasks, including object detection, semantic segmentation, panoptic segmentation, instance segmentation, and depth estimation.

Mainstream Video-Language Pre-training models actbert,clipbert,violet consist of three parts, a video encoder, a text encoder, and a video-text fusion Transformer. They pursue better performance via utilizing heavier unimodal encoders or multimodal fusion Transformers, resulting in increased parameters with lower efficiency in downstream tasks. In this work, we for the first time introduce an end-to-end video-language model, namely all-in-one Transformer, that embeds raw video and textual signals into joint representations using a unified backbone architecture. We argue that the unique temporal information of video data turns out to be a key barrier hindering the design of a modality-agnostic Transformer. To overcome the challenge, we introduce a novel and effective token rolling operation to encode temporal representations from video clips in a non-parametric manner. The careful design enables the representation learning of both video-text multimodal inputs and unimodal inputs using a unified backbone model. Our pre-trained all-in-one Transformer is transferred to various downstream video-text tasks after fine-tuning, including text-video retrieval, video-question answering, multiple choice and visual commonsense reasoning. State-of-the-art performances with the minimal model FLOPs on nine datasets demonstrate the superiority of our method compared to the competitive counterparts. The code and pretrained model have been released in https://github.com/showlab/all-in-one.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

Recently proposed self-supervised learning approaches have been successful for pre-training speech representation models. The utility of these learned representations has been observed empirically, but not much has been studied about the type or extent of information encoded in the pre-trained representations themselves. Developing such insights can help understand the capabilities and limits of these models and enable the research community to more efficiently develop their usage for downstream applications. In this work, we begin to fill this gap by examining one recent and successful pre-trained model (wav2vec 2.0), via its intermediate representation vectors, using a suite of analysis tools. We use the metrics of canonical correlation, mutual information, and performance on simple downstream tasks with non-parametric probes, in order to (i) query for acoustic and linguistic information content, (ii) characterize the evolution of information across model layers, and (iii) understand how fine-tuning the model for automatic speech recognition (ASR) affects these observations. Our findings motivate modifying the fine-tuning protocol for ASR, which produces improved word error rates in a low-resource setting.

We describe a robotic learning system for autonomous exploration and navigation in diverse, open-world environments. At the core of our method is a learned latent variable model of distances and actions, along with a non-parametric topological memory of images. We use an information bottleneck to regularize the learned policy, giving us (i) a compact visual representation of goals, (ii) improved generalization capabilities, and (iii) a mechanism for sampling feasible goals for exploration. Trained on a large offline dataset of prior experience, the model acquires a representation of visual goals that is robust to task-irrelevant distractors. We demonstrate our method on a mobile ground robot in open-world exploration scenarios. Given an image of a goal that is up to 80 meters away, our method leverages its representation to explore and discover the goal in under 20 minutes, even amidst previously-unseen obstacles and weather conditions. Please check out the project website for videos of our experiments and information about the real-world dataset used at https://sites.google.com/view/recon-robot.

We present an unsupervised visual feature learning algorithm driven by context-based pixel prediction. By analogy with auto-encoders, we propose Context Encoders -- a convolutional neural network trained to generate the contents of an arbitrary image region conditioned on its surroundings. In order to succeed at this task, context encoders need to both understand the content of the entire image, as well as produce a plausible hypothesis for the missing part(s). When training context encoders, we have experimented with both a standard pixel-wise reconstruction loss, as well as a reconstruction plus an adversarial loss. The latter produces much sharper results because it can better handle multiple modes in the output. We found that a context encoder learns a representation that captures not just appearance but also the semantics of visual structures. We quantitatively demonstrate the effectiveness of our learned features for CNN pre-training on classification, detection, and segmentation tasks. Furthermore, context encoders can be used for semantic inpainting tasks, either stand-alone or as initialization for non-parametric methods.

Photo-realistic and controllable 3D avatars are crucial for various applications such as virtual and mixed reality (VR/MR), telepresence, gaming, and film production. Traditional methods for avatar creation often involve time-consuming scanning and reconstruction processes for each avatar, which limits their scalability. Furthermore, these methods do not offer the flexibility to sample new identities or modify existing ones. On the other hand, by learning a strong prior from data, generative models provide a promising alternative to traditional reconstruction methods, easing the time constraints for both data capture and processing. Additionally, generative methods enable downstream applications beyond reconstruction, such as editing and stylization. Nonetheless, the research on generative 3D avatars is still in its infancy, and therefore current methods still have limitations such as creating static avatars, lacking photo-realism, having incomplete facial details, or having limited drivability. To address this, we propose a text-conditioned generative model that can generate photo-realistic facial avatars of diverse identities, with more complete details like hair, eyes and mouth interior, and which can be driven through a powerful non-parametric latent expression space. Specifically, we integrate the generative and editing capabilities of latent diffusion models with a strong prior model for avatar expression driving. Our model can generate and control high-fidelity avatars, even those out-of-distribution. We also highlight its potential for downstream applications, including avatar editing and single-shot avatar reconstruction.

Some imitation learning methods combine behavioural cloning with self-supervision to infer actions from state pairs. However, most rely on a large number of expert trajectories to increase generalisation and human intervention to capture key aspects of the problem, such as domain constraints. In this paper, we propose Continuous Imitation Learning from Observation (CILO), a new method augmenting imitation learning with two important features: (i) exploration, allowing for more diverse state transitions, requiring less expert trajectories and resulting in fewer training iterations; and (ii) path signatures, allowing for automatic encoding of constraints, through the creation of non-parametric representations of agents and expert trajectories. We compared CILO with a baseline and two leading imitation learning methods in five environments. It had the best overall performance of all methods in all environments, outperforming the expert in two of them.

Large, pretrained models are commonly finetuned with imagery that is heavily augmented to mimic different conditions and scales, with the resulting models used for various tasks with imagery from a range of spatial scales. Such models overlook scale-specific information in the data for scale-dependent domains, such as remote sensing. In this paper, we present Scale-MAE, a pretraining method that explicitly learns relationships between data at different, known scales throughout the pretraining process. Scale-MAE pretrains a network by masking an input image at a known input scale, where the area of the Earth covered by the image determines the scale of the ViT positional encoding, not the image resolution. Scale-MAE encodes the masked image with a standard ViT backbone, and then decodes the masked image through a bandpass filter to reconstruct low/high frequency images at lower/higher scales. We find that tasking the network with reconstructing both low/high frequency images leads to robust multiscale representations for remote sensing imagery. Scale-MAE achieves an average of a 2.4 - 5.6% non-parametric kNN classification improvement across eight remote sensing datasets compared to current state-of-the-art and obtains a 0.9 mIoU to 1.7 mIoU improvement on the SpaceNet building segmentation transfer task for a range of evaluation scales.

Accurate whole-body multi-person pose estimation and tracking is an important yet challenging topic in computer vision. To capture the subtle actions of humans for complex behavior analysis, whole-body pose estimation including the face, body, hand and foot is essential over conventional body-only pose estimation. In this paper, we present AlphaPose, a system that can perform accurate whole-body pose estimation and tracking jointly while running in realtime. To this end, we propose several new techniques: Symmetric Integral Keypoint Regression (SIKR) for fast and fine localization, Parametric Pose Non-Maximum-Suppression (P-NMS) for eliminating redundant human detections and Pose Aware Identity Embedding for jointly pose estimation and tracking. During training, we resort to Part-Guided Proposal Generator (PGPG) and multi-domain knowledge distillation to further improve the accuracy. Our method is able to localize whole-body keypoints accurately and tracks humans simultaneously given inaccurate bounding boxes and redundant detections. We show a significant improvement over current state-of-the-art methods in both speed and accuracy on COCO-wholebody, COCO, PoseTrack, and our proposed Halpe-FullBody pose estimation dataset. Our model, source codes and dataset are made publicly available at https://github.com/MVIG-SJTU/AlphaPose.

Reconstructing dynamic objects from monocular videos is a severely underconstrained and challenging problem, and recent work has approached it in various directions. However, owing to the ill-posed nature of this problem, there has been no solution that can provide consistent, high-quality novel views from camera positions that are significantly different from the training views. In this work, we introduce Neural Parametric Gaussians (NPGs) to take on this challenge by imposing a two-stage approach: first, we fit a low-rank neural deformation model, which then is used as regularization for non-rigid reconstruction in the second stage. The first stage learns the object's deformations such that it preserves consistency in novel views. The second stage obtains high reconstruction quality by optimizing 3D Gaussians that are driven by the coarse model. To this end, we introduce a local 3D Gaussian representation, where temporally shared Gaussians are anchored in and deformed by local oriented volumes. The resulting combined model can be rendered as radiance fields, resulting in high-quality photo-realistic reconstructions of the non-rigidly deforming objects, maintaining 3D consistency across novel views. We demonstrate that NPGs achieve superior results compared to previous works, especially in challenging scenarios with few multi-view cues.

The neural operator has emerged as a powerful tool in learning mappings between function spaces in PDEs. However, when faced with real-world physical data, which are often highly non-uniformly distributed, it is challenging to use mesh-based techniques such as the FFT. To address this, we introduce the Non-Uniform Neural Operator (NUNO), a comprehensive framework designed for efficient operator learning with non-uniform data. Leveraging a K-D tree-based domain decomposition, we transform non-uniform data into uniform grids while effectively controlling interpolation error, thereby paralleling the speed and accuracy of learning from non-uniform data. We conduct extensive experiments on 2D elasticity, (2+1)D channel flow, and a 3D multi-physics heatsink, which, to our knowledge, marks a novel exploration into 3D PDE problems with complex geometries. Our framework has reduced error rates by up to 60% and enhanced training speeds by 2x to 30x. The code is now available at https://github.com/thu-ml/NUNO.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

Neural waveform models such as the WaveNet are used in many recent text-to-speech systems, but the original WaveNet is quite slow in waveform generation because of its autoregressive (AR) structure. Although faster non-AR models were recently reported, they may be prohibitively complicated due to the use of a distilling training method and the blend of other disparate training criteria. This study proposes a non-AR neural source-filter waveform model that can be directly trained using spectrum-based training criteria and the stochastic gradient descent method. Given the input acoustic features, the proposed model first uses a source module to generate a sine-based excitation signal and then uses a filter module to transform the excitation signal into the output speech waveform. Our experiments demonstrated that the proposed model generated waveforms at least 100 times faster than the AR WaveNet and the quality of its synthetic speech is close to that of speech generated by the AR WaveNet. Ablation test results showed that both the sine-wave excitation signal and the spectrum-based training criteria were essential to the performance of the proposed model.

Large Language Models (LLMs) have demonstrated notable proficiency in both code generation and comprehension across multiple programming languages. However, the mechanisms underlying this proficiency remain underexplored, particularly with respect to whether distinct programming languages are processed independently or within a shared parametric region. Drawing an analogy to the specialized regions of the brain responsible for distinct cognitive functions, we introduce the concept of Coding Spot, a specialized parametric region within LLMs that facilitates coding capabilities. Our findings identify this Coding Spot and show that targeted modifications to this subset significantly affect performance on coding tasks, while largely preserving non-coding functionalities. This compartmentalization mirrors the functional specialization observed in cognitive neuroscience, where specific brain regions are dedicated to distinct tasks, suggesting that LLMs may similarly employ specialized parameter regions for different knowledge domains.

We introduce a general, flexible, parametric survival modelling framework which encompasses key shapes of hazard function (constant, increasing, decreasing, up-then-down, down-then-up), various common survival distributions (log-logistic, Burr type XII, Weibull, Gompertz), and includes defective distributions (i.e., cure models). This generality is achieved using four basic distributional parameters: two scale-type parameters and two shape parameters. Generalising to covariate dependence, the scale-type regression components correspond to accelerated failure time (AFT) and proportional hazards (PH) models. Therefore, this general formulation unifies the most popular survival models which allows us to consider the practical value of possible modelling choices for survival data. Furthermore, in line with our proposed flexible baseline distribution, we advocate the use of multi-parameter regression in which more than one distributional parameter depends on covariates - rather than the usual convention of having a single covariate-dependent (scale) parameter. While many choices are available, we suggest introducing covariates through just one or other of the two scale parameters, which covers AFT and PH models, in combination with a `power' shape parameter, which allows for more complex non-AFT/non-PH effects, while the other shape parameter remains covariate-independent, and handles automatic selection of the baseline distribution. We explore inferential issues in simulations, both with and without a covariate, with particular focus on evidence concerning the need, or otherwise, to include both AFT and PH parameters. We illustrate the efficacy of our modelling framework by investigating differences between treatment groups using data from a lung cancer study and a melanoma study. Censoring is accommodated throughout.

The approximation of Partial Differential Equations (PDEs) using neural networks has seen significant advancements through Physics-Informed Neural Networks (PINNs). Despite their straightforward optimization framework and flexibility in implementing various PDEs, PINNs often suffer from limited accuracy due to the spectral bias of Multi-Layer Perceptrons (MLPs), which struggle to effectively learn high-frequency and non-linear components. Recently, parametric mesh representations in combination with neural networks have been investigated as a promising approach to eliminate the inductive biases of neural networks. However, they usually require very high-resolution grids and a large number of collocation points to achieve high accuracy while avoiding overfitting issues. In addition, the fixed positions of the mesh parameters restrict their flexibility, making it challenging to accurately approximate complex PDEs. To overcome these limitations, we propose Physics-Informed Gaussians (PIGs), which combine feature embeddings using Gaussian functions with a lightweight neural network. Our approach uses trainable parameters for the mean and variance of each Gaussian, allowing for dynamic adjustment of their positions and shapes during training. This adaptability enables our model to optimally approximate PDE solutions, unlike models with fixed parameter positions. Furthermore, the proposed approach maintains the same optimization framework used in PINNs, allowing us to benefit from their excellent properties. Experimental results show the competitive performance of our model across various PDEs, demonstrating its potential as a robust tool for solving complex PDEs. Our project page is available at https://namgyukang.github.io/Physics-Informed-Gaussians/

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning method from the pre-deep learning era, as an augmentation to modern neural network based approaches. As a lazy learning method, k-NN simply aggregates the distance between the test image and top-k neighbors in a training set. We adopt k-NN with pre-trained visual representations produced by either supervised or self-supervised methods in two steps: (1) Leverage k-NN predicted probabilities as indications for easy vs. hard examples during training. (2) Linearly interpolate the k-NN predicted distribution with that of the augmented classifier. Via extensive experiments on a wide range of classification tasks, our study reveals the generality and flexibility of k-NN integration with additional insights: (1) k-NN achieves competitive results, sometimes even outperforming a standard linear classifier. (2) Incorporating k-NN is especially beneficial for tasks where parametric classifiers perform poorly and / or in low-data regimes. We hope these discoveries will encourage people to rethink the role of pre-deep learning, classical methods in computer vision. Our code is available at: https://github.com/KMnP/nn-revisit.

Existing methods for 3D tracking from monocular RGB videos predominantly consider articulated and rigid objects. Modelling dense non-rigid object deformations in this setting remained largely unaddressed so far, although such effects can improve the realism of the downstream applications such as AR/VR and avatar communications. This is due to the severe ill-posedness of the monocular view setting and the associated challenges. While it is possible to naively track multiple non-rigid objects independently using 3D templates or parametric 3D models, such an approach would suffer from multiple artefacts in the resulting 3D estimates such as depth ambiguity, unnatural intra-object collisions and missing or implausible deformations. Hence, this paper introduces the first method that addresses the fundamental challenges depicted above and that allows tracking human hands interacting with human faces in 3D from single monocular RGB videos. We model hands as articulated objects inducing non-rigid face deformations during an active interaction. Our method relies on a new hand-face motion and interaction capture dataset with realistic face deformations acquired with a markerless multi-view camera system. As a pivotal step in its creation, we process the reconstructed raw 3D shapes with position-based dynamics and an approach for non-uniform stiffness estimation of the head tissues, which results in plausible annotations of the surface deformations, hand-face contact regions and head-hand positions. At the core of our neural approach are a variational auto-encoder supplying the hand-face depth prior and modules that guide the 3D tracking by estimating the contacts and the deformations. Our final 3D hand and face reconstructions are realistic and more plausible compared to several baselines applicable in our setting, both quantitatively and qualitatively. https://vcai.mpi-inf.mpg.de/projects/Decaf

We propose FlashAvatar, a novel and lightweight 3D animatable avatar representation that could reconstruct a digital avatar from a short monocular video sequence in minutes and render high-fidelity photo-realistic images at 300FPS on a consumer-grade GPU. To achieve this, we maintain a uniform 3D Gaussian field embedded in the surface of a parametric face model and learn extra spatial offset to model non-surface regions and subtle facial details. While full use of geometric priors can capture high-frequency facial details and preserve exaggerated expressions, proper initialization can help reduce the number of Gaussians, thus enabling super-fast rendering speed. Extensive experimental results demonstrate that FlashAvatar outperforms existing works regarding visual quality and personalized details and is almost an order of magnitude faster in rendering speed. Project page: https://ustc3dv.github.io/FlashAvatar/

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in the structure of the graph Laplacian operator, the properties of the associated diffusion equation, and the characteristics of the convolutional models that discretise this equation. In this paper, we use cellular sheaf theory to show that the underlying geometry of the graph is deeply linked with the performance of GNNs in heterophilic settings and their oversmoothing behaviour. By considering a hierarchy of increasingly general sheaves, we study how the ability of the sheaf diffusion process to achieve linear separation of the classes in the infinite time limit expands. At the same time, we prove that when the sheaf is non-trivial, discretised parametric diffusion processes have greater control than GNNs over their asymptotic behaviour. On the practical side, we study how sheaves can be learned from data. The resulting sheaf diffusion models have many desirable properties that address the limitations of classical graph diffusion equations (and corresponding GNN models) and obtain competitive results in heterophilic settings. Overall, our work provides new connections between GNNs and algebraic topology and would be of interest to both fields.

Role-Playing Agents (RPAs) have shown remarkable performance in various applications, yet they often struggle to recognize and appropriately respond to hard queries that conflict with their role-play knowledge. To investigate RPAs' performance when faced with different types of conflicting requests, we develop an evaluation benchmark that includes contextual knowledge conflicting requests, parametric knowledge conflicting requests, and non-conflicting requests to assess RPAs' ability to identify conflicts and refuse to answer appropriately without over-refusing. Through extensive evaluation, we find that most RPAs behave significant performance gaps toward different conflict requests. To elucidate the reasons, we conduct an in-depth representation-level analysis of RPAs under various conflict scenarios. Our findings reveal the existence of rejection regions and direct response regions within the model's forwarding representation, and thus influence the RPA's final response behavior. Therefore, we introduce a lightweight representation editing approach that conveniently shifts conflicting requests to the rejection region, thereby enhancing the model's refusal accuracy. The experimental results validate the effectiveness of our editing method, improving RPAs' refusal ability of conflicting requests while maintaining their general role-playing capabilities.

We present Semantify: a self-supervised method that utilizes the semantic power of CLIP language-vision foundation model to simplify the control of 3D morphable models. Given a parametric model, training data is created by randomly sampling the model's parameters, creating various shapes and rendering them. The similarity between the output images and a set of word descriptors is calculated in CLIP's latent space. Our key idea is first to choose a small set of semantically meaningful and disentangled descriptors that characterize the 3DMM, and then learn a non-linear mapping from scores across this set to the parametric coefficients of the given 3DMM. The non-linear mapping is defined by training a neural network without a human-in-the-loop. We present results on numerous 3DMMs: body shape models, face shape and expression models, as well as animal shapes. We demonstrate how our method defines a simple slider interface for intuitive modeling, and show how the mapping can be used to instantly fit a 3D parametric body shape to in-the-wild images.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

Meta learning have achieved promising performance in low-resource text classification which aims to identify target classes with knowledge transferred from source classes with sets of small tasks named episodes. However, due to the limited training data in the meta-learning scenario and the inherent properties of parameterized neural networks, poor generalization performance has become a pressing problem that needs to be addressed. To deal with this issue, we propose a meta-learning based method called Retrieval-Augmented Meta Learning(RAML). It not only uses parameterization for inference but also retrieves non-parametric knowledge from an external corpus to make inferences, which greatly alleviates the problem of poor generalization performance caused by the lack of diverse training data in meta-learning. This method differs from previous models that solely rely on parameters, as it explicitly emphasizes the importance of non-parametric knowledge, aiming to strike a balance between parameterized neural networks and non-parametric knowledge. The model is required to determine which knowledge to access and utilize during inference. Additionally, our multi-view passages fusion network module can effectively and efficiently integrate the retrieved information into low-resource classification task. The extensive experiments demonstrate that RAML significantly outperforms current SOTA low-resource text classification models.

We prove a new upper bound on the generalization gap of classifiers that are obtained by first using self-supervision to learn a representation r of the training data, and then fitting a simple (e.g., linear) classifier g to the labels. Specifically, we show that (under the assumptions described below) the generalization gap of such classifiers tends to zero if C(g) ll n, where C(g) is an appropriately-defined measure of the simple classifier g's complexity, and n is the number of training samples. We stress that our bound is independent of the complexity of the representation r. We do not make any structural or conditional-independence assumptions on the representation-learning task, which can use the same training dataset that is later used for classification. Rather, we assume that the training procedure satisfies certain natural noise-robustness (adding small amount of label noise causes small degradation in performance) and rationality (getting the wrong label is not better than getting no label at all) conditions that widely hold across many standard architectures. We show that our bound is non-vacuous for many popular representation-learning based classifiers on CIFAR-10 and ImageNet, including SimCLR, AMDIM and MoCo.

We propose a penalized nonparametric approach to estimating the quantile regression process (QRP) in a nonseparable model using rectifier quadratic unit (ReQU) activated deep neural networks and introduce a novel penalty function to enforce non-crossing of quantile regression curves. We establish the non-asymptotic excess risk bounds for the estimated QRP and derive the mean integrated squared error for the estimated QRP under mild smoothness and regularity conditions. To establish these non-asymptotic risk and estimation error bounds, we also develop a new error bound for approximating C^s smooth functions with s >0 and their derivatives using ReQU activated neural networks. This is a new approximation result for ReQU networks and is of independent interest and may be useful in other problems. Our numerical experiments demonstrate that the proposed method is competitive with or outperforms two existing methods, including methods using reproducing kernels and random forests, for nonparametric quantile regression.

Multi-class classification methods that produce sets of probabilistic classifiers, such as ensemble learning methods, are able to model aleatoric and epistemic uncertainty. Aleatoric uncertainty is then typically quantified via the Bayes error, and epistemic uncertainty via the size of the set. In this paper, we extend the notion of calibration, which is commonly used to evaluate the validity of the aleatoric uncertainty representation of a single probabilistic classifier, to assess the validity of an epistemic uncertainty representation obtained by sets of probabilistic classifiers. Broadly speaking, we call a set of probabilistic classifiers calibrated if one can find a calibrated convex combination of these classifiers. To evaluate this notion of calibration, we propose a novel nonparametric calibration test that generalizes an existing test for single probabilistic classifiers to the case of sets of probabilistic classifiers. Making use of this test, we empirically show that ensembles of deep neural networks are often not well calibrated.

Transfer learning has recently shown significant performance across various tasks involving deep neural networks. In these transfer learning scenarios, the prior distribution for downstream data becomes crucial in Bayesian model averaging (BMA). While previous works proposed the prior over the neural network parameters centered around the pre-trained solution, such strategies have limitations when dealing with distribution shifts between upstream and downstream data. This paper introduces nonparametric transfer learning (NPTL), a flexible posterior sampling method to address the distribution shift issue within the context of nonparametric learning. The nonparametric learning (NPL) method is a recent approach that employs a nonparametric prior for posterior sampling, efficiently accounting for model misspecification scenarios, which is suitable for transfer learning scenarios that may involve the distribution shift between upstream and downstream tasks. Through extensive empirical validations, we demonstrate that our approach surpasses other baselines in BMA performance.

Deep representations have shown promising performance when transferred to downstream tasks in a black-box manner. Yet, their inherent lack of interpretability remains a significant challenge, as these features are often opaque to human understanding. In this paper, we propose Non-negative Contrastive Learning (NCL), a renaissance of Non-negative Matrix Factorization (NMF) aimed at deriving interpretable features. The power of NCL lies in its enforcement of non-negativity constraints on features, reminiscent of NMF's capability to extract features that align closely with sample clusters. NCL not only aligns mathematically well with an NMF objective but also preserves NMF's interpretability attributes, resulting in a more sparse and disentangled representation compared to standard contrastive learning (CL). Theoretically, we establish guarantees on the identifiability and downstream generalization of NCL. Empirically, we show that these advantages enable NCL to outperform CL significantly on feature disentanglement, feature selection, as well as downstream classification tasks. At last, we show that NCL can be easily extended to other learning scenarios and benefit supervised learning as well. Code is available at https://github.com/PKU-ML/non_neg.

Visual prompting (VP) is an emerging parameter-efficient fine-tuning approach to adapting pre-trained vision models to solve various downstream image-classification tasks. However, there has hitherto been little systematic study of the design space of VP and no clear benchmark for evaluating its performance. To bridge this gap, we propose AutoVP, an end-to-end expandable framework for automating VP design choices, along with 12 downstream image-classification tasks that can serve as a holistic VP-performance benchmark. Our design space covers 1) the joint optimization of the prompts; 2) the selection of pre-trained models, including image classifiers and text-image encoders; and 3) model output mapping strategies, including nonparametric and trainable label mapping. Our extensive experimental results show that AutoVP outperforms the best-known current VP methods by a substantial margin, having up to 6.7% improvement in accuracy; and attains a maximum performance increase of 27.5% compared to linear-probing (LP) baseline. AutoVP thus makes a two-fold contribution: serving both as an efficient tool for hyperparameter tuning on VP design choices, and as a comprehensive benchmark that can reasonably be expected to accelerate VP's development. The source code is available at https://github.com/IBM/AutoVP.

We introduce a boosting algorithm to pre-process data for fairness. Starting from an initial fair but inaccurate distribution, our approach shifts towards better data fitting while still ensuring a minimal fairness guarantee. To do so, it learns the sufficient statistics of an exponential family with boosting-compliant convergence. Importantly, we are able to theoretically prove that the learned distribution will have a representation rate and statistical rate data fairness guarantee. Unlike recent optimization based pre-processing methods, our approach can be easily adapted for continuous domain features. Furthermore, when the weak learners are specified to be decision trees, the sufficient statistics of the learned distribution can be examined to provide clues on sources of (un)fairness. Empirical results are present to display the quality of result on real-world data.

Prompt-based classifiers are an attractive approach for zero-shot classification. However, the precise choice of the prompt template and label words can largely influence performance, with semantically equivalent settings often showing notable performance difference. This discrepancy can be partly attributed to word biases, where the classifier may be biased towards classes. To address this problem, it is possible to optimise classification thresholds on a labelled data set, however, this mitigates some of the advantages of prompt-based classifiers. This paper instead approaches this problem by examining the expected marginal probabilities of the classes. Here, probabilities are reweighted to have a uniform prior over classes, in an unsupervised fashion. Further, we draw a theoretical connection between the class priors and the language models' word prior, and offer the ability to set a threshold in a zero-resource fashion. We show that matching class priors correlates strongly with the oracle upper bound performance and demonstrate large consistent performance gains for prompt settings over a range of NLP tasks.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

In recent years, the community of 'explainable artificial intelligence' (XAI) has created a vast body of methods to bridge a perceived gap between model 'complexity' and 'interpretability'. However, a concrete problem to be solved by XAI methods has not yet been formally stated. As a result, XAI methods are lacking theoretical and empirical evidence for the 'correctness' of their explanations, limiting their potential use for quality-control and transparency purposes. At the same time, Haufe et al. (2014) showed, using simple toy examples, that even standard interpretations of linear models can be highly misleading. Specifically, high importance may be attributed to so-called suppressor variables lacking any statistical relation to the prediction target. This behavior has been confirmed empirically for a large array of XAI methods in Wilming et al. (2022). Here, we go one step further by deriving analytical expressions for the behavior of a variety of popular XAI methods on a simple two-dimensional binary classification problem involving Gaussian class-conditional distributions. We show that the majority of the studied approaches will attribute non-zero importance to a non-class-related suppressor feature in the presence of correlated noise. This poses important limitations on the interpretations and conclusions that the outputs of these XAI methods can afford.

We investigate the learning of implicit neural representation (INR) using an overparameterized multilayer perceptron (MLP) via a novel nonparametric teaching perspective. The latter offers an efficient example selection framework for teaching nonparametrically defined (viz. non-closed-form) target functions, such as image functions defined by 2D grids of pixels. To address the costly training of INRs, we propose a paradigm called Implicit Neural Teaching (INT) that treats INR learning as a nonparametric teaching problem, where the given signal being fitted serves as the target function. The teacher then selects signal fragments for iterative training of the MLP to achieve fast convergence. By establishing a connection between MLP evolution through parameter-based gradient descent and that of function evolution through functional gradient descent in nonparametric teaching, we show for the first time that teaching an overparameterized MLP is consistent with teaching a nonparametric learner. This new discovery readily permits a convenient drop-in of nonparametric teaching algorithms to broadly enhance INR training efficiency, demonstrating 30%+ training time savings across various input modalities.

Detecting test samples drawn sufficiently far away from the training distribution statistically or adversarially is a fundamental requirement for deploying a good classifier in many real-world machine learning applications. However, deep neural networks with the softmax classifier are known to produce highly overconfident posterior distributions even for such abnormal samples. In this paper, we propose a simple yet effective method for detecting any abnormal samples, which is applicable to any pre-trained softmax neural classifier. We obtain the class conditional Gaussian distributions with respect to (low- and upper-level) features of the deep models under Gaussian discriminant analysis, which result in a confidence score based on the Mahalanobis distance. While most prior methods have been evaluated for detecting either out-of-distribution or adversarial samples, but not both, the proposed method achieves the state-of-the-art performances for both cases in our experiments. Moreover, we found that our proposed method is more robust in harsh cases, e.g., when the training dataset has noisy labels or small number of samples. Finally, we show that the proposed method enjoys broader usage by applying it to class-incremental learning: whenever out-of-distribution samples are detected, our classification rule can incorporate new classes well without further training deep models.

This paper presents a computationally efficient variant of gradient boosting for multi-class classification and multi-output regression tasks. Standard gradient boosting uses a 1-vs-all strategy for classifications tasks with more than two classes. This strategy translates in that one tree per class and iteration has to be trained. In this work, we propose the use of multi-output regressors as base models to handle the multi-class problem as a single task. In addition, the proposed modification allows the model to learn multi-output regression problems. An extensive comparison with other multi-ouptut based gradient boosting methods is carried out in terms of generalization and computational efficiency. The proposed method showed the best trade-off between generalization ability and training and predictions speeds.

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in R^d, where in addition to the m independent and labeled samples from the true distribution, a set of n (usually with ngg m) out of domain and unlabeled samples are given as well. Using only the labeled data, it is known that the generalization error can be bounded by proptoleft(d/mright)^{1/2}. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared to ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the ``cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

We present Natural Gradient Boosting (NGBoost), an algorithm for generic probabilistic prediction via gradient boosting. Typical regression models return a point estimate, conditional on covariates, but probabilistic regression models output a full probability distribution over the outcome space, conditional on the covariates. This allows for predictive uncertainty estimation -- crucial in applications like healthcare and weather forecasting. NGBoost generalizes gradient boosting to probabilistic regression by treating the parameters of the conditional distribution as targets for a multiparameter boosting algorithm. Furthermore, we show how the Natural Gradient is required to correct the training dynamics of our multiparameter boosting approach. NGBoost can be used with any base learner, any family of distributions with continuous parameters, and any scoring rule. NGBoost matches or exceeds the performance of existing methods for probabilistic prediction while offering additional benefits in flexibility, scalability, and usability. An open-source implementation is available at github.com/stanfordmlgroup/ngboost.

It is often useful to compactly summarize important properties of model parameters and training data so that they can be used later without storing and/or iterating over the entire dataset. As a specific case, we consider estimating the Function Space Distance (FSD) over a training set, i.e. the average discrepancy between the outputs of two neural networks. We propose a Linearized Activation Function TRick (LAFTR) and derive an efficient approximation to FSD for ReLU neural networks. The key idea is to approximate the architecture as a linear network with stochastic gating. Despite requiring only one parameter per unit of the network, our approach outcompetes other parametric approximations with larger memory requirements. Applied to continual learning, our parametric approximation is competitive with state-of-the-art nonparametric approximations, which require storing many training examples. Furthermore, we show its efficacy in estimating influence functions accurately and detecting mislabeled examples without expensive iterations over the entire dataset.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

In this paper, we introduce the gated perceptron, an enhancement of the conventional perceptron, which incorporates an additional input computed as the product of the existing inputs. This allows the perceptron to capture non-linear interactions between features, significantly improving its ability to classify and regress on complex datasets. We explore its application in both linear and non-linear regression tasks using the Iris dataset, as well as binary and multi-class classification problems, including the PIMA Indian dataset and Breast Cancer Wisconsin dataset. Our results demonstrate that the gated perceptron can generate more distinct decision regions compared to traditional perceptrons, enhancing its classification capabilities, particularly in handling non-linear data. Performance comparisons show that the gated perceptron competes with state-of-the-art classifiers while maintaining a simple architecture.

Non-exemplar class-incremental learning is to recognize both the old and new classes when old class samples cannot be saved. It is a challenging task since representation optimization and feature retention can only be achieved under supervision from new classes. To address this problem, we propose a novel self-sustaining representation expansion scheme. Our scheme consists of a structure reorganization strategy that fuses main-branch expansion and side-branch updating to maintain the old features, and a main-branch distillation scheme to transfer the invariant knowledge. Furthermore, a prototype selection mechanism is proposed to enhance the discrimination between the old and new classes by selectively incorporating new samples into the distillation process. Extensive experiments on three benchmarks demonstrate significant incremental performance, outperforming the state-of-the-art methods by a margin of 3%, 3% and 6%, respectively.

The ability to identify whether or not a test sample belongs to one of the semantic classes in a classifier's training set is critical to practical deployment of the model. This task is termed open-set recognition (OSR) and has received significant attention in recent years. In this paper, we first demonstrate that the ability of a classifier to make the 'none-of-above' decision is highly correlated with its accuracy on the closed-set classes. We find that this relationship holds across loss objectives and architectures, and further demonstrate the trend both on the standard OSR benchmarks as well as on a large-scale ImageNet evaluation. Second, we use this correlation to boost the performance of a maximum logit score OSR 'baseline' by improving its closed-set accuracy, and with this strong baseline achieve state-of-the-art on a number of OSR benchmarks. Similarly, we boost the performance of the existing state-of-the-art method by improving its closed-set accuracy, but the resulting discrepancy with the strong baseline is marginal. Our third contribution is to present the 'Semantic Shift Benchmark' (SSB), which better respects the task of detecting semantic novelty, in contrast to other forms of distribution shift also considered in related sub-fields, such as out-of-distribution detection. On this new evaluation, we again demonstrate that there is negligible difference between the strong baseline and the existing state-of-the-art. Project Page: https://www.robots.ox.ac.uk/~vgg/research/osr/

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

We here propose a machine learning approach for monitoring particle detectors in real-time. The goal is to assess the compatibility of incoming experimental data with a reference dataset, characterising the data behaviour under normal circumstances, via a likelihood-ratio hypothesis test. The model is based on a modern implementation of kernel methods, nonparametric algorithms that can learn any continuous function given enough data. The resulting approach is efficient and agnostic to the type of anomaly that may be present in the data. Our study demonstrates the effectiveness of this strategy on multivariate data from drift tube chamber muon detectors.

The k-Nearest Neighbor (kNN) classification approach is conceptually simple - yet widely applied since it often performs well in practical applications. However, using a global constant k does not always provide an optimal solution, e.g., for datasets with an irregular density distribution of data points. This paper proposes an adaptive kNN classifier where k is chosen dynamically for each instance (point) to be classified, such that the expected accuracy of classification is maximized. We define the expected accuracy as the accuracy of a set of structurally similar observations. An arbitrary similarity function can be used to find these observations. We introduce and evaluate different similarity functions. For the evaluation, we use five different classification tasks based on geo-spatial data. Each classification task consists of (tens of) thousands of items. We demonstrate, that the presented expected accuracy measures can be a good estimator for kNN performance, and the proposed adaptive kNN classifier outperforms common kNN and previously introduced adaptive kNN algorithms. Also, we show that the range of considered k can be significantly reduced to speed up the algorithm without negative influence on classification accuracy.

Recently, Qiao, Duan, and Cheng~(2019) proposed a distributed nearest-neighbor classification method, in which a massive dataset is split into smaller groups, each processed with a k-nearest-neighbor classifier, and the final class label is predicted by a majority vote among these groupwise class labels. This paper shows that the distributed algorithm with k=1 over a sufficiently large number of groups attains a minimax optimal error rate up to a multiplicative logarithmic factor under some regularity conditions, for both regression and classification problems. Roughly speaking, distributed 1-nearest-neighbor rules with M groups has a performance comparable to standard Theta(M)-nearest-neighbor rules. In the analysis, alternative rules with a refined aggregation method are proposed and shown to attain exact minimax optimal rates.

Asymmetrical distance structures (quasimetrics) are ubiquitous in our lives and are gaining more attention in machine learning applications. Imposing such quasimetric structures in model representations has been shown to improve many tasks, including reinforcement learning (RL) and causal relation learning. In this work, we present four desirable properties in such quasimetric models, and show how prior works fail at them. We propose Interval Quasimetric Embedding (IQE), which is designed to satisfy all four criteria. On three quasimetric learning experiments, IQEs show strong approximation and generalization abilities, leading to better performance and improved efficiency over prior methods. Project Page: https://www.tongzhouwang.info/interval_quasimetric_embedding Quasimetric Learning Code Package: https://www.github.com/quasimetric-learning/torch-quasimetric

Representation-based retrieval models, so-called biencoders, estimate the relevance of a document to a query by calculating the similarity of their respective embeddings. Current state-of-the-art biencoders are trained using an expensive training regime involving knowledge distillation from a teacher model and batch-sampling. Instead of relying on a teacher model, we contribute a novel parameter-free loss function for self-supervision that exploits the pre-trained language modeling capabilities of the encoder model as a training signal, eliminating the need for batch sampling by performing implicit hard negative mining. We investigate the capabilities of our proposed approach through extensive ablation studies, demonstrating that self-distillation can match the effectiveness of teacher distillation using only 13.5% of the data, while offering a speedup in training time between 3x and 15x compared to parametrized losses. Code and data is made openly available.

Autoregressive decoding is the only part of sequence-to-sequence models that prevents them from massive parallelization at inference time. Non-autoregressive models enable the decoder to generate all output symbols independently in parallel. We present a novel non-autoregressive architecture based on connectionist temporal classification and evaluate it on the task of neural machine translation. Unlike other non-autoregressive methods which operate in several steps, our model can be trained end-to-end. We conduct experiments on the WMT English-Romanian and English-German datasets. Our models achieve a significant speedup over the autoregressive models, keeping the translation quality comparable to other non-autoregressive models.

An approach to the construction of classifiers from imbalanced datasets is described. A dataset is imbalanced if the classification categories are not approximately equally represented. Often real-world data sets are predominately composed of "normal" examples with only a small percentage of "abnormal" or "interesting" examples. It is also the case that the cost of misclassifying an abnormal (interesting) example as a normal example is often much higher than the cost of the reverse error. Under-sampling of the majority (normal) class has been proposed as a good means of increasing the sensitivity of a classifier to the minority class. This paper shows that a combination of our method of over-sampling the minority (abnormal) class and under-sampling the majority (normal) class can achieve better classifier performance (in ROC space) than only under-sampling the majority class. This paper also shows that a combination of our method of over-sampling the minority class and under-sampling the majority class can achieve better classifier performance (in ROC space) than varying the loss ratios in Ripper or class priors in Naive Bayes. Our method of over-sampling the minority class involves creating synthetic minority class examples. Experiments are performed using C4.5, Ripper and a Naive Bayes classifier. The method is evaluated using the area under the Receiver Operating Characteristic curve (AUC) and the ROC convex hull strategy.

Prototypical part network (ProtoPNet) methods have been designed to achieve interpretable classification by associating predictions with a set of training prototypes, which we refer to as trivial prototypes because they are trained to lie far from the classification boundary in the feature space. Note that it is possible to make an analogy between ProtoPNet and support vector machine (SVM) given that the classification from both methods relies on computing similarity with a set of training points (i.e., trivial prototypes in ProtoPNet, and support vectors in SVM). However, while trivial prototypes are located far from the classification boundary, support vectors are located close to this boundary, and we argue that this discrepancy with the well-established SVM theory can result in ProtoPNet models with inferior classification accuracy. In this paper, we aim to improve the classification of ProtoPNet with a new method to learn support prototypes that lie near the classification boundary in the feature space, as suggested by the SVM theory. In addition, we target the improvement of classification results with a new model, named ST-ProtoPNet, which exploits our support prototypes and the trivial prototypes to provide more effective classification. Experimental results on CUB-200-2011, Stanford Cars, and Stanford Dogs datasets demonstrate that ST-ProtoPNet achieves state-of-the-art classification accuracy and interpretability results. We also show that the proposed support prototypes tend to be better localised in the object of interest rather than in the background region.

Real-world large-scale datasets are both noisily labeled and class-imbalanced. The issues seriously hurt the generalization of trained models. It is hence significant to address the simultaneous incorrect labeling and class-imbalance, i.e., the problem of learning with noisy labels on long-tailed data. Previous works develop several methods for the problem. However, they always rely on strong assumptions that are invalid or hard to be checked in practice. In this paper, to handle the problem and address the limitations of prior works, we propose a representation calibration method RCAL. Specifically, RCAL works with the representations extracted by unsupervised contrastive learning. We assume that without incorrect labeling and class imbalance, the representations of instances in each class conform to a multivariate Gaussian distribution, which is much milder and easier to be checked. Based on the assumption, we recover underlying representation distributions from polluted ones resulting from mislabeled and class-imbalanced data. Additional data points are then sampled from the recovered distributions to help generalization. Moreover, during classifier training, representation learning takes advantage of representation robustness brought by contrastive learning, which further improves the classifier performance. We derive theoretical results to discuss the effectiveness of our representation calibration. Experiments on multiple benchmarks justify our claims and confirm the superiority of the proposed method.

Real-world scenarios are usually accompanied by continuously appearing classes with scare labeled samples, which require the machine learning model to incrementally learn new classes and maintain the knowledge of base classes. In this Few-Shot Class-Incremental Learning (FSCIL) scenario, existing methods either introduce extra learnable components or rely on a frozen feature extractor to mitigate catastrophic forgetting and overfitting problems. However, we find a tendency for existing methods to misclassify the samples of new classes into base classes, which leads to the poor performance of new classes. In other words, the strong discriminability of base classes distracts the classification of new classes. To figure out this intriguing phenomenon, we observe that although the feature extractor is only trained on base classes, it can surprisingly represent the semantic similarity between the base and unseen new classes. Building upon these analyses, we propose a simple yet effective Training-frEE calibratioN (TEEN) strategy to enhance the discriminability of new classes by fusing the new prototypes (i.e., mean features of a class) with weighted base prototypes. In addition to standard benchmarks in FSCIL, TEEN demonstrates remarkable performance and consistent improvements over baseline methods in the few-shot learning scenario. Code is available at: https://github.com/wangkiw/TEEN

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

We propose a new strategy for applying large pre-trained language models to novel tasks when labeled training data is limited. Rather than apply the model in a typical zero-shot or few-shot fashion, we treat the model as the basis for labeling functions in a weak supervision framework. To create a classifier, we first prompt the model to answer multiple distinct queries about an example and define how the possible responses should be mapped to votes for labels and abstentions. We then denoise these noisy label sources using the Snorkel system and train an end classifier with the resulting training data. Our experimental evaluation shows that prompting large language models within a weak supervision framework can provide significant gains in accuracy. On the WRENCH weak supervision benchmark, this approach can significantly improve over zero-shot performance, an average 19.5% reduction in errors. We also find that this approach produces classifiers with comparable or superior accuracy to those trained from hand-engineered rules.

Recent research has repeatedly shown that machine learning techniques can be applied to either whole files or file fragments to classify them for analysis. We build upon these techniques to show that for samples of un-labeled compiled computer object code, one can apply the same type of analysis to classify important aspects of the code, such as its target architecture and endianess. We show that using simple byte-value histograms we retain enough information about the opcodes within a sample to classify the target architecture with high accuracy, and then discuss heuristic-based features that exploit information within the operands to determine endianess. We introduce a dataset with over 16000 code samples from 20 architectures and experimentally show that by using our features, classifiers can achieve very high accuracy with relatively small sample sizes.

We introduce MODEL SELECTOR, a framework for label-efficient selection of pretrained classifiers. Given a pool of unlabeled target data, MODEL SELECTOR samples a small subset of highly informative examples for labeling, in order to efficiently identify the best pretrained model for deployment on this target dataset. Through extensive experiments, we demonstrate that MODEL SELECTOR drastically reduces the need for labeled data while consistently picking the best or near-best performing model. Across 18 model collections on 16 different datasets, comprising over 1,500 pretrained models, MODEL SELECTOR reduces the labeling cost by up to 94.15% to identify the best model compared to the cost of the strongest baseline. Our results further highlight the robustness of MODEL SELECTOR in model selection, as it reduces the labeling cost by up to 72.41% when selecting a near-best model, whose accuracy is only within 1% of the best model.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

We study robustness to test-time adversarial attacks in the regression setting with ell_p losses and arbitrary perturbation sets. We address the question of which function classes are PAC learnable in this setting. We show that classes of finite fat-shattering dimension are learnable in both realizable and agnostic settings. Moreover, for convex function classes, they are even properly learnable. In contrast, some non-convex function classes provably require improper learning algorithms. Our main technique is based on a construction of an adversarially robust sample compression scheme of a size determined by the fat-shattering dimension. Along the way, we introduce a novel agnostic sample compression scheme for real-valued functions, which may be of independent interest.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

In this work, we explore the use of a novel neural network architecture, the Kolmogorov-Arnold Networks (KANs) as feature extractors for sensor-based (specifically IMU) Human Activity Recognition (HAR). Where conventional networks perform a parameterized weighted sum of the inputs at each node and then feed the result into a statically defined nonlinearity, KANs perform non-linear computations represented by B-SPLINES on the edges leading to each node and then just sum up the inputs at the node. Instead of learning weights, the system learns the spline parameters. In the original work, such networks have been shown to be able to more efficiently and exactly learn sophisticated real valued functions e.g. in regression or PDE solution. We hypothesize that such an ability is also advantageous for computing low-level features for IMU-based HAR. To this end, we have implemented KAN as the feature extraction architecture for IMU-based human activity recognition tasks, including four architecture variations. We present an initial performance investigation of the KAN feature extractor on four public HAR datasets. It shows that the KAN-based feature extractor outperforms CNN-based extractors on all datasets while being more parameter efficient.

We study the problem of teaching multiple learners simultaneously in the nonparametric iterative teaching setting, where the teacher iteratively provides examples to the learner for accelerating the acquisition of a target concept. This problem is motivated by the gap between current single-learner teaching setting and the real-world scenario of human instruction where a teacher typically imparts knowledge to multiple students. Under the new problem formulation, we introduce a novel framework -- Multi-learner Nonparametric Teaching (MINT). In MINT, the teacher aims to instruct multiple learners, with each learner focusing on learning a scalar-valued target model. To achieve this, we frame the problem as teaching a vector-valued target model and extend the target model space from a scalar-valued reproducing kernel Hilbert space used in single-learner scenarios to a vector-valued space. Furthermore, we demonstrate that MINT offers significant teaching speed-up over repeated single-learner teaching, particularly when the multiple learners can communicate with each other. Lastly, we conduct extensive experiments to validate the practicality and efficiency of MINT.

Attribution methods can provide powerful insights into the reasons for a classifier's decision. We argue that a key desideratum of an explanation method is its robustness to input hyperparameters which are often randomly set or empirically tuned. High sensitivity to arbitrary hyperparameter choices does not only impede reproducibility but also questions the correctness of an explanation and impairs the trust of end-users. In this paper, we provide a thorough empirical study on the sensitivity of existing attribution methods. We found an alarming trend that many methods are highly sensitive to changes in their common hyperparameters e.g. even changing a random seed can yield a different explanation! Interestingly, such sensitivity is not reflected in the average explanation accuracy scores over the dataset as commonly reported in the literature. In addition, explanations generated for robust classifiers (i.e. which are trained to be invariant to pixel-wise perturbations) are surprisingly more robust than those generated for regular classifiers.

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how na\"{i}ve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection performance compared to baselines from both literatures.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

In critical applications, it is vital for classifiers to defer decision-making to humans. We propose a post-hoc method that makes existing classifiers selectively abstain from predicting certain samples. Our abstaining classifier is incentivized to maintain the original accuracy for each sub-population (i.e. no harm) while achieving a set of group fairness definitions to a user specified degree. To this end, we design an Integer Programming (IP) procedure that assigns abstention decisions for each training sample to satisfy a set of constraints. To generalize the abstaining decisions to test samples, we then train a surrogate model to learn the abstaining decisions based on the IP solutions in an end-to-end manner. We analyze the feasibility of the IP procedure to determine the possible abstention rate for different levels of unfairness tolerance and accuracy constraint for achieving no harm. To the best of our knowledge, this work is the first to identify the theoretical relationships between the constraint parameters and the required abstention rate. Our theoretical results are important since a high abstention rate is often infeasible in practice due to a lack of human resources. Our framework outperforms existing methods in terms of fairness disparity without sacrificing accuracy at similar abstention rates.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

Zero-shot learning models achieve remarkable results on image classification for samples from classes that were not seen during training. However, such models must be trained from scratch with specialised methods: therefore, access to a training dataset is required when the need for zero-shot classification arises. In this paper, we aim to equip pre-trained models with zero-shot classification capabilities without the use of image data. We achieve this with our proposed Image-free Classifier Injection with Semantics (ICIS) that injects classifiers for new, unseen classes into pre-trained classification models in a post-hoc fashion without relying on image data. Instead, the existing classifier weights and simple class-wise descriptors, such as class names or attributes, are used. ICIS has two encoder-decoder networks that learn to reconstruct classifier weights from descriptors (and vice versa), exploiting (cross-)reconstruction and cosine losses to regularise the decoding process. Notably, ICIS can be cheaply trained and applied directly on top of pre-trained classification models. Experiments on benchmark ZSL datasets show that ICIS produces unseen classifier weights that achieve strong (generalised) zero-shot classification performance. Code is available at https://github.com/ExplainableML/ImageFreeZSL .

We develop a rigorous mathematical analysis of zero-shot learning with attributes. In this setting, the goal is to label novel classes with no training data, only detectors for attributes and a description of how those attributes are correlated with the target classes, called the class-attribute matrix. We develop the first non-trivial lower bound on the worst-case error of the best map from attributes to classes for this setting, even with perfect attribute detectors. The lower bound characterizes the theoretical intrinsic difficulty of the zero-shot problem based on the available information -- the class-attribute matrix -- and the bound is practically computable from it. Our lower bound is tight, as we show that we can always find a randomized map from attributes to classes whose expected error is upper bounded by the value of the lower bound. We show that our analysis can be predictive of how standard zero-shot methods behave in practice, including which classes will likely be confused with others.

In this paper, we consider the problem of Iterative Machine Teaching (IMT), where the teacher provides examples to the learner iteratively such that the learner can achieve fast convergence to a target model. However, existing IMT algorithms are solely based on parameterized families of target models. They mainly focus on convergence in the parameter space, resulting in difficulty when the target models are defined to be functions without dependency on parameters. To address such a limitation, we study a more general task -- Nonparametric Iterative Machine Teaching (NIMT), which aims to teach nonparametric target models to learners in an iterative fashion. Unlike parametric IMT that merely operates in the parameter space, we cast NIMT as a functional optimization problem in the function space. To solve it, we propose both random and greedy functional teaching algorithms. We obtain the iterative teaching dimension (ITD) of the random teaching algorithm under proper assumptions, which serves as a uniform upper bound of ITD in NIMT. Further, the greedy teaching algorithm has a significantly lower ITD, which reaches a tighter upper bound of ITD in NIMT. Finally, we verify the correctness of our theoretical findings with extensive experiments in nonparametric scenarios.

Classification algorithms have recently found applications in computational physics for the selection of numerical methods or models adapted to the environment and the state of the physical system. For such classification tasks, labeled training data come from numerical simulations and generally correspond to physical fields discretized on a mesh. Three challenging difficulties arise: the lack of training data, their high dimensionality, and the non-applicability of common data augmentation techniques to physics data. This article introduces two algorithms to address these issues, one for dimensionality reduction via feature selection, and one for data augmentation. These algorithms are combined with a wide variety of classifiers for their evaluation. When combined with a stacking ensemble made of six multilayer perceptrons and a ridge logistic regression, they enable reaching an accuracy of 90% on our classification problem for nonlinear structural mechanics.

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

We propose a novel TACLE (TAsk and CLass-awarE) framework to address the relatively unexplored and challenging problem of exemplar-free semi-supervised class incremental learning. In this scenario, at each new task, the model has to learn new classes from both (few) labeled and unlabeled data without access to exemplars from previous classes. In addition to leveraging the capabilities of pre-trained models, TACLE proposes a novel task-adaptive threshold, thereby maximizing the utilization of the available unlabeled data as incremental learning progresses. Additionally, to enhance the performance of the under-represented classes within each task, we propose a class-aware weighted cross-entropy loss. We also exploit the unlabeled data for classifier alignment, which further enhances the model performance. Extensive experiments on benchmark datasets, namely CIFAR10, CIFAR100, and ImageNet-Subset100 demonstrate the effectiveness of the proposed TACLE framework. We further showcase its effectiveness when the unlabeled data is imbalanced and also for the extreme case of one labeled example per class.

This paper proposes an unsupervised method that leverages topological characteristics of data manifolds to estimate class separability of the data without requiring labels. Experiments conducted in this paper on several datasets demonstrate a clear correlation and consistency between the class separability estimated by the proposed method with supervised metrics like Fisher Discriminant Ratio~(FDR) and cross-validation of a classifier, which both require labels. This can enable implementing learning paradigms aimed at learning from both labeled and unlabeled data, like semi-supervised and transductive learning. This would be particularly useful when we have limited labeled data and a relatively large unlabeled dataset that can be used to enhance the learning process. The proposed method is implemented for language model fine-tuning with automated stopping criterion by monitoring class separability of the embedding-space manifold in an unsupervised setting. The proposed methodology has been first validated on synthetic data, where the results show a clear consistency between class separability estimated by the proposed method and class separability computed by FDR. The method has been also implemented on both public and internal data. The results show that the proposed method can effectively aid -- without the need for labels -- a decision on when to stop or continue the fine-tuning of a language model and which fine-tuning iteration is expected to achieve a maximum classification performance through quantification of the class separability of the embedding manifold.

We consider the two related problems of detecting if an example is misclassified or out-of-distribution. We present a simple baseline that utilizes probabilities from softmax distributions. Correctly classified examples tend to have greater maximum softmax probabilities than erroneously classified and out-of-distribution examples, allowing for their detection. We assess performance by defining several tasks in computer vision, natural language processing, and automatic speech recognition, showing the effectiveness of this baseline across all. We then show the baseline can sometimes be surpassed, demonstrating the room for future research on these underexplored detection tasks.

We present a differentiable approach to learn the probabilistic factors used for inference by a nonparametric belief propagation algorithm. Existing nonparametric belief propagation methods rely on domain-specific features encoded in the probabilistic factors of a graphical model. In this work, we replace each crafted factor with a differentiable neural network enabling the factors to be learned using an efficient optimization routine from labeled data. By combining differentiable neural networks with an efficient belief propagation algorithm, our method learns to maintain a set of marginal posterior samples using end-to-end training. We evaluate our differentiable nonparametric belief propagation (DNBP) method on a set of articulated pose tracking tasks and compare performance with learned baselines. Results from these experiments demonstrate the effectiveness of using learned factors for tracking and suggest the practical advantage over hand-crafted approaches. The project webpage is available at: https://progress.eecs.umich.edu/projects/dnbp/ .

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

Self-training is a well-known approach for semi-supervised learning. It consists of iteratively assigning pseudo-labels to unlabeled data for which the model is confident and treating them as labeled examples. For neural networks, softmax prediction probabilities are often used as a confidence measure, although they are known to be overconfident, even for wrong predictions. This phenomenon is particularly intensified in the presence of sample selection bias, i.e., when data labeling is subject to some constraint. To address this issue, we propose a novel confidence measure, called T-similarity, built upon the prediction diversity of an ensemble of linear classifiers. We provide the theoretical analysis of our approach by studying stationary points and describing the relationship between the diversity of the individual members and their performance. We empirically demonstrate the benefit of our confidence measure for three different pseudo-labeling policies on classification datasets of various data modalities. The code is available at https://github.com/ambroiseodt/tsim.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

Exemplar-free class-incremental learning is very challenging due to the negative effect of catastrophic forgetting. A balance between stability and plasticity of the incremental process is needed in order to obtain good accuracy for past as well as new classes. Existing exemplar-free class-incremental methods focus either on successive fine tuning of the model, thus favoring plasticity, or on using a feature extractor fixed after the initial incremental state, thus favoring stability. We introduce a method which combines a fixed feature extractor and a pseudo-features generator to improve the stability-plasticity balance. The generator uses a simple yet effective geometric translation of new class features to create representations of past classes, made of pseudo-features. The translation of features only requires the storage of the centroid representations of past classes to produce their pseudo-features. Actual features of new classes and pseudo-features of past classes are fed into a linear classifier which is trained incrementally to discriminate between all classes. The incremental process is much faster with the proposed method compared to mainstream ones which update the entire deep model. Experiments are performed with three challenging datasets, and different incremental settings. A comparison with ten existing methods shows that our method outperforms the others in most cases.

We study the connection between multicalibration and boosting for squared error regression. First we prove a useful characterization of multicalibration in terms of a ``swap regret'' like condition on squared error. Using this characterization, we give an exceedingly simple algorithm that can be analyzed both as a boosting algorithm for regression and as a multicalibration algorithm for a class H that makes use only of a standard squared error regression oracle for H. We give a weak learning assumption on H that ensures convergence to Bayes optimality without the need to make any realizability assumptions -- giving us an agnostic boosting algorithm for regression. We then show that our weak learning assumption on H is both necessary and sufficient for multicalibration with respect to H to imply Bayes optimality. We also show that if H satisfies our weak learning condition relative to another class C then multicalibration with respect to H implies multicalibration with respect to C. Finally we investigate the empirical performance of our algorithm experimentally using an open source implementation that we make available. Our code repository can be found at https://github.com/Declancharrison/Level-Set-Boosting.

Medical applications challenge today's text categorization techniques by demanding both high accuracy and ease-of-interpretation. Although deep learning has provided a leap ahead in accuracy, this leap comes at the sacrifice of interpretability. To address this accuracy-interpretability challenge, we here introduce, for the first time, a text categorization approach that leverages the recently introduced Tsetlin Machine. In all brevity, we represent the terms of a text as propositional variables. From these, we capture categories using simple propositional formulae, such as: if "rash" and "reaction" and "penicillin" then Allergy. The Tsetlin Machine learns these formulae from a labelled text, utilizing conjunctive clauses to represent the particular facets of each category. Indeed, even the absence of terms (negated features) can be used for categorization purposes. Our empirical comparison with Na\"ive Bayes, decision trees, linear support vector machines (SVMs), random forest, long short-term memory (LSTM) neural networks, and other techniques, is quite conclusive. The Tsetlin Machine either performs on par with or outperforms all of the evaluated methods on both the 20 Newsgroups and IMDb datasets, as well as on a non-public clinical dataset. On average, the Tsetlin Machine delivers the best recall and precision scores across the datasets. Finally, our GPU implementation of the Tsetlin Machine executes 5 to 15 times faster than the CPU implementation, depending on the dataset. We thus believe that our novel approach can have a significant impact on a wide range of text analysis applications, forming a promising starting point for deeper natural language understanding with the Tsetlin Machine.

Classifier guidance is a recently introduced method to trade off mode coverage and sample fidelity in conditional diffusion models post training, in the same spirit as low temperature sampling or truncation in other types of generative models. Classifier guidance combines the score estimate of a diffusion model with the gradient of an image classifier and thereby requires training an image classifier separate from the diffusion model. It also raises the question of whether guidance can be performed without a classifier. We show that guidance can be indeed performed by a pure generative model without such a classifier: in what we call classifier-free guidance, we jointly train a conditional and an unconditional diffusion model, and we combine the resulting conditional and unconditional score estimates to attain a trade-off between sample quality and diversity similar to that obtained using classifier guidance.

Nonlinear sufficient dimension reductionlibing_generalSDR, which constructs nonlinear low-dimensional representations to summarize essential features of high-dimensional data, is an important branch of representation learning. However, most existing methods are not applicable when the response variables are complex non-Euclidean random objects, which are frequently encountered in many recent statistical applications. In this paper, we introduce a new statistical dependence measure termed Fr\'echet Cumulative Covariance (FCCov) and develop a novel nonlinear SDR framework based on FCCov. Our approach is not only applicable to complex non-Euclidean data, but also exhibits robustness against outliers. We further incorporate Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to estimate nonlinear sufficient directions in the sample level. Theoretically, we prove that our method with squared Frobenius norm regularization achieves unbiasedness at the sigma-field level. Furthermore, we establish non-asymptotic convergence rates for our estimators based on FNNs and ResNet-type CNNs, which match the minimax rate of nonparametric regression up to logarithmic factors. Intensive simulation studies verify the performance of our methods in both Euclidean and non-Euclidean settings. We apply our method to facial expression recognition datasets and the results underscore more realistic and broader applicability of our proposal.

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Training a classifier on web-crawled data demands learning algorithms that are robust to annotation errors and irrelevant examples. This paper builds upon the recent empirical observation that applying unsupervised contrastive learning to noisy, web-crawled datasets yields a feature representation under which the in-distribution (ID) and out-of-distribution (OOD) samples are linearly separable. We show that direct estimation of the separating hyperplane can indeed offer an accurate detection of OOD samples, and yet, surprisingly, this detection does not translate into gains in classification accuracy. Digging deeper into this phenomenon, we discover that the near-perfect detection misses a type of clean examples that are valuable for supervised learning. These examples often represent visually simple images, which are relatively easy to identify as clean examples using standard loss- or distance-based methods despite being poorly separated from the OOD distribution using unsupervised learning. Because we further observe a low correlation with SOTA metrics, this urges us to propose a hybrid solution that alternates between noise detection using linear separation and a state-of-the-art (SOTA) small-loss approach. When combined with the SOTA algorithm PLS, we substantially improve SOTA results for real-world image classification in the presence of web noise github.com/PaulAlbert31/LSA

Few Shot Class Incremental Learning (FSCIL) with few examples per class for each incremental session is the realistic setting of continual learning since obtaining large number of annotated samples is not feasible and cost effective. We present the framework MASIL as a step towards learning the maximal separable classifier. It addresses the common problem i.e forgetting of old classes and over-fitting to novel classes by learning the classifier weights to be maximally separable between classes forming a simplex Equiangular Tight Frame. We propose the idea of concept factorization explaining the collapsed features for base session classes in terms of concept basis and use these to induce classifier simplex for few shot classes. We further adds fine tuning to reduce any error occurred during factorization and train the classifier jointly on base and novel classes without retaining any base class samples in memory. Experimental results on miniImageNet, CIFAR-100 and CUB-200 demonstrate that MASIL outperforms all the benchmarks.

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size NO times NO, taking O((NO)^2) memory and up to O((NO)^3) computation. Most existing applications have therefore used one of a handful of approximations yielding N times N kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

This paper does not introduce a novel method. Instead, it offers a fairer and more comprehensive comparison of KAN and MLP models across various tasks, including machine learning, computer vision, audio processing, natural language processing, and symbolic formula representation. Specifically, we control the number of parameters and FLOPs to compare the performance of KAN and MLP. Our main observation is that, except for symbolic formula representation tasks, MLP generally outperforms KAN. We also conduct ablation studies on KAN and find that its advantage in symbolic formula representation mainly stems from its B-spline activation function. When B-spline is applied to MLP, performance in symbolic formula representation significantly improves, surpassing or matching that of KAN. However, in other tasks where MLP already excels over KAN, B-spline does not substantially enhance MLP's performance. Furthermore, we find that KAN's forgetting issue is more severe than that of MLP in a standard class-incremental continual learning setting, which differs from the findings reported in the KAN paper. We hope these results provide insights for future research on KAN and other MLP alternatives. Project link: https://github.com/yu-rp/KANbeFair

The activation function plays a crucial role in model optimisation, yet the optimal choice remains unclear. For example, the Sigmoid activation is the de-facto activation in balanced classification tasks, however, in imbalanced classification, it proves inappropriate due to bias towards frequent classes. In this work, we delve deeper in this phenomenon by performing a comprehensive statistical analysis in the classification and intermediate layers of both balanced and imbalanced networks and we empirically show that aligning the activation function with the data distribution, enhances the performance in both balanced and imbalanced tasks. To this end, we propose the Adaptive Parametric Activation (APA) function, a novel and versatile activation function that unifies most common activation functions under a single formula. APA can be applied in both intermediate layers and attention layers, significantly outperforming the state-of-the-art on several imbalanced benchmarks such as ImageNet-LT, iNaturalist2018, Places-LT, CIFAR100-LT and LVIS and balanced benchmarks such as ImageNet1K, COCO and V3DET. The code is available at https://github.com/kostas1515/AGLU.

We begin the study of list-decodable linear regression using batches. In this setting only an alpha in (0,1] fraction of the batches are genuine. Each genuine batch contains ge n i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any nge tilde Omega(1/alpha) returns a list of size mathcal O(1/alpha^2) such that one of the items in the list is close to the true regression parameter. The algorithm requires only mathcal{O}(d/alpha^2) genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound diakonikolas2021statistical for the non-batch setting.

Today's deep neural networks require substantial computation resources for their training, storage, and inference, which limits their effective use on resource-constrained devices. Many recent research activities explore different options for compressing and optimizing deep models. On the one hand, in many real-world applications, we face the data imbalance challenge, i.e. when the number of labeled instances of one class considerably outweighs the number of labeled instances of the other class. On the other hand, applications may pose a class imbalance problem, i.e. higher number of false positives produced when training a model and optimizing its performance may be tolerable, yet the number of false negatives must stay low. The problem originates from the fact that some classes are more important for the application than others, e.g. detection problems in medical and surveillance domains. Motivated by the success of the lottery ticket hypothesis, in this paper we propose an iterative deep model compression technique, which keeps the number of false negatives of the compressed model close to the one of the original model at the price of increasing the number of false positives if necessary. Our experimental evaluation using two benchmark data sets shows that the resulting compressed sub-networks 1) achieve up to 35% lower number of false negatives than the compressed model without class optimization, 2) provide an overall higher AUC_ROC measure, and 3) use up to 99% fewer parameters compared to the original network.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalized densities. The KSD is defined by its Stein operator: current operators used in testing apply to fixed-dimensional spaces. As our main contribution, we extend the KSD to the variable-dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalized, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.

These handouts are designed for people who is just starting involved with the topic artificial neural networks. We show how it works a single artificial neuron (McCulloch & Pitt model), mathematically and graphically. We do explain the delta rule, a learning algorithm to find the neuron weights. We also present some examples in MATLAB/Octave. There are examples for classification task for lineal and non-lineal problems. At the end, we present an artificial neural network, a feed-forward neural network along its learning algorithm backpropagation. ----- Estos apuntes est\'an dise\~nados para personas que por primera vez se introducen en el tema de las redes neuronales artificiales. Se muestra el funcionamiento b\'asico de una neurona, matem\'aticamente y gr\'aficamente. Se explica la Regla Delta, algoritmo deaprendizaje para encontrar los pesos de una neurona. Tambi\'en se muestran ejemplos en MATLAB/Octave. Hay ejemplos para problemas de clasificaci\'on, para problemas lineales y no-lineales. En la parte final se muestra la arquitectura de red neuronal artificial conocida como backpropagation.

In this paper, we construct a mixture of neural operators (MoNOs) between function spaces whose complexity is distributed over a network of expert neural operators (NOs), with each NO satisfying parameter scaling restrictions. Our main result is a distributed universal approximation theorem guaranteeing that any Lipschitz non-linear operator between L^2([0,1]^d) spaces can be approximated uniformly over the Sobolev unit ball therein, to any given varepsilon>0 accuracy, by an MoNO while satisfying the constraint that: each expert NO has a depth, width, and rank of O(varepsilon^{-1}). Naturally, our result implies that the required number of experts must be large, however, each NO is guaranteed to be small enough to be loadable into the active memory of most computers for reasonable accuracies varepsilon. During our analysis, we also obtain new quantitative expression rates for classical NOs approximating uniformly continuous non-linear operators uniformly on compact subsets of L^2([0,1]^d).

Zero-shot learning (ZSL) methods have been studied in the unrealistic setting where test data are assumed to come from unseen classes only. In this paper, we advocate studying the problem of generalized zero-shot learning (GZSL) where the test data's class memberships are unconstrained. We show empirically that naively using the classifiers constructed by ZSL approaches does not perform well in the generalized setting. Motivated by this, we propose a simple but effective calibration method that can be used to balance two conflicting forces: recognizing data from seen classes versus those from unseen ones. We develop a performance metric to characterize such a trade-off and examine the utility of this metric in evaluating various ZSL approaches. Our analysis further shows that there is a large gap between the performance of existing approaches and an upper bound established via idealized semantic embeddings, suggesting that improving class semantic embeddings is vital to GZSL.

With the recent renaissance of deep convolution neural networks, encouraging breakthroughs have been achieved on the supervised recognition tasks, where each class has sufficient training data and fully annotated training data. However, to scale the recognition to a large number of classes with few or now training samples for each class remains an unsolved problem. One approach to scaling up the recognition is to develop models capable of recognizing unseen categories without any training instances, or zero-shot recognition/ learning. This article provides a comprehensive review of existing zero-shot recognition techniques covering various aspects ranging from representations of models, and from datasets and evaluation settings. We also overview related recognition tasks including one-shot and open set recognition which can be used as natural extensions of zero-shot recognition when limited number of class samples become available or when zero-shot recognition is implemented in a real-world setting. Importantly, we highlight the limitations of existing approaches and point out future research directions in this existing new research area.

In the past couple of years, various approaches to representing and quantifying different types of predictive uncertainty in machine learning, notably in the setting of classification, have been proposed on the basis of second-order probability distributions, i.e., predictions in the form of distributions on probability distributions. A completely conclusive solution has not yet been found, however, as shown by recent criticisms of commonly used uncertainty measures associated with second-order distributions, identifying undesirable theoretical properties of these measures. In light of these criticisms, we propose a set of formal criteria that meaningful uncertainty measures for predictive uncertainty based on second-order distributions should obey. Moreover, we provide a general framework for developing uncertainty measures to account for these criteria, and offer an instantiation based on the Wasserstein distance, for which we prove that all criteria are satisfied.

Artificial neural nets can represent and classify many types of data but are often tailored to particular applications -- e.g., for "fair" or "hierarchical" classification. Once an architecture has been selected, it is often difficult for humans to adjust models for a new task; for example, a hierarchical classifier cannot be easily transformed into a fair classifier that shields a protected field. Our contribution in this work is a new neural network architecture, the concept subspace network (CSN), which generalizes existing specialized classifiers to produce a unified model capable of learning a spectrum of multi-concept relationships. We demonstrate that CSNs reproduce state-of-the-art results in fair classification when enforcing concept independence, may be transformed into hierarchical classifiers, or even reconcile fairness and hierarchy within a single classifier. The CSN is inspired by existing prototype-based classifiers that promote interpretability.

With the rise of the Internet, there is a growing need to build intelligent systems that are capable of efficiently dealing with early risk detection (ERD) problems on social media, such as early depression detection, early rumor detection or identification of sexual predators. These systems, nowadays mostly based on machine learning techniques, must be able to deal with data streams since users provide their data over time. In addition, these systems must be able to decide when the processed data is sufficient to actually classify users. Moreover, since ERD tasks involve risky decisions by which people's lives could be affected, such systems must also be able to justify their decisions. However, most standard and state-of-the-art supervised machine learning models are not well suited to deal with this scenario. This is due to the fact that they either act as black boxes or do not support incremental classification/learning. In this paper we introduce SS3, a novel supervised learning model for text classification that naturally supports these aspects. SS3 was designed to be used as a general framework to deal with ERD problems. We evaluated our model on the CLEF's eRisk2017 pilot task on early depression detection. Most of the 30 contributions submitted to this competition used state-of-the-art methods. Experimental results show that our classifier was able to outperform these models and standard classifiers, despite being less computationally expensive and having the ability to explain its rationale.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

This article introduces byteSteady -- a fast model for classification using byte-level n-gram embeddings. byteSteady assumes that each input comes as a sequence of bytes. A representation vector is produced using the averaged embedding vectors of byte-level n-grams, with a pre-defined set of n. The hashing trick is used to reduce the number of embedding vectors. This input representation vector is then fed into a linear classifier. A straightforward application of byteSteady is text classification. We also apply byteSteady to one type of non-language data -- DNA sequences for gene classification. For both problems we achieved competitive classification results against strong baselines, suggesting that byteSteady can be applied to both language and non-language data. Furthermore, we find that simple compression using Huffman coding does not significantly impact the results, which offers an accuracy-speed trade-off previously unexplored in machine learning.

Although deep neural networks achieve tremendous success on various classification tasks, the generalization ability drops sheer when training datasets exhibit long-tailed distributions. One of the reasons is that the learned representations (i.e. features) from the imbalanced datasets are less effective than those from balanced datasets. Specifically, the learned representation under class-balanced distribution will present the Neural Collapse (NC) phenomena. NC indicates the features from the same category are close to each other and from different categories are maximally distant, showing an optimal linear separable state of classification. However, the pattern differs on imbalanced datasets and is partially responsible for the reduced performance of the model. In this work, we propose two explicit feature regularization terms to learn high-quality representation for class-imbalanced data. With the proposed regularization, NC phenomena will appear under the class-imbalanced distribution, and the generalization ability can be significantly improved. Our method is easily implemented, highly effective, and can be plugged into most existing methods. The extensive experimental results on widely-used benchmarks show the effectiveness of our method

Semi-Supervised Learning (SSL) leverages both labeled and unlabeled data to improve model performance. Traditional SSL methods assume that labeled and unlabeled data share the same label space. However, in real-world applications, especially when the labeled training set is small, there may be classes that are missing from the labeled set. Existing frameworks aim to either reject all unseen classes (open-set SSL) or to discover unseen classes by partitioning an unlabeled set during training (open-world SSL). In our work, we construct a classifier for points from both seen and unseen classes. Our approach is based on extending an existing SSL method, such as FlexMatch, by incorporating an additional entropy loss. This enhancement allows our method to improve the performance of any existing SSL method in the classification of both seen and unseen classes. We demonstrate large improvement gains over state-of-the-art SSL, open-set SSL, and open-world SSL methods, on two benchmark image classification data sets, CIFAR-100 and STL-10. The gains are most pronounced when the labeled data is severely limited (1-25 labeled examples per class).

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.

A recently introduced text classifier, called SS3, has obtained state-of-the-art performance on the CLEF's eRisk tasks. SS3 was created to deal with risk detection over text streams and, therefore, not only supports incremental training and classification but also can visually explain its rationale. However, little attention has been paid to the potential use of SS3 as a general classifier. We believe this could be due to the unavailability of an open-source implementation of SS3. In this work, we introduce PySS3, a package that implements SS3 and also comes with visualization tools that allow researchers to deploy robust, explainable, and trusty machine learning models for text classification.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

Traditional machine learning systems are deployed under the closed-world setting, which requires the entire training data before the offline training process. However, real-world applications often face the incoming new classes, and a model should incorporate them continually. The learning paradigm is called Class-Incremental Learning (CIL). We propose a Python toolbox that implements several key algorithms for class-incremental learning to ease the burden of researchers in the machine learning community. The toolbox contains implementations of a number of founding works of CIL such as EWC and iCaRL, but also provides current state-of-the-art algorithms that can be used for conducting novel fundamental research. This toolbox, named PyCIL for Python Class-Incremental Learning, is available at https://github.com/G-U-N/PyCIL

In node classification using graph neural networks (GNNs), a typical model generates logits for different class labels at each node. A softmax layer often outputs a label prediction based on the largest logit. We demonstrate that it is possible to infer hidden graph structural information from the dataset using these logits. We introduce the key notion of label non-uniformity, which is derived from the Wasserstein distance between the softmax distribution of the logits and the uniform distribution. We demonstrate that nodes with small label non-uniformity are harder to classify correctly. We theoretically analyze how the label non-uniformity varies across the graph, which provides insights into boosting the model performance: increasing training samples with high non-uniformity or dropping edges to reduce the maximal cut size of the node set of small non-uniformity. These mechanisms can be easily added to a base GNN model. Experimental results demonstrate that our approach improves the performance of many benchmark base models.

The remarkable success of deep learning in recent years has prompted applications in medical image classification and diagnosis tasks. While classification models have demonstrated robustness in classifying simpler datasets like MNIST or natural images such as ImageNet, this resilience is not consistently observed in complex medical image datasets where data is more scarce and lacks diversity. Moreover, previous findings on natural image datasets have indicated a potential trade-off between data likelihood and classification accuracy. In this study, we explore the use of score-based generative models as classifiers for medical images, specifically mammographic images. Our findings suggest that our proposed generative classifier model not only achieves superior classification results on CBIS-DDSM, INbreast and Vin-Dr Mammo datasets, but also introduces a novel approach to image classification in a broader context. Our code is publicly available at https://github.com/sushmitasarker/sgc_for_medical_image_classification

This paper extends the classic theory of convex optimization to the minimization of functions that are equal to the negated logarithm of what we term as a sum-log-concave function, i.e., a sum of log-concave functions. In particular, we show that such functions are in general not convex but still satisfy generalized convexity inequalities. These inequalities unveil the key importance of a certain vector that we call the cross-gradient and that is, in general, distinct from the usual gradient. Thus, we propose the Cross Gradient Descent (XGD) algorithm moving in the opposite direction of the cross-gradient and derive a convergence analysis. As an application of our sum-log-concave framework, we introduce the so-called checkered regression method relying on a sum-log-concave function. This classifier extends (multiclass) logistic regression to non-linearly separable problems since it is capable of tessellating the feature space by using any given number of hyperplanes, creating a checkerboard-like pattern of decision regions.

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

For many evaluation metrics commonly used as benchmarks for unconditional image generation, trivially memorizing the training set attains a better score than models which are considered state-of-the-art; we consider this problematic. We clarify a necessary condition for an evaluation metric not to behave this way: estimating the function must require a large sample from the model. In search of such a metric, we turn to neural network divergences (NNDs), which are defined in terms of a neural network trained to distinguish between distributions. The resulting benchmarks cannot be "won" by training set memorization, while still being perceptually correlated and computable only from samples. We survey past work on using NNDs for evaluation and implement an example black-box metric based on these ideas. Through experimental validation we show that it can effectively measure diversity, sample quality, and generalization.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Recent works have shown that by using large pre-trained models along with learnable prompts, rehearsal-free methods for class-incremental learning (CIL) settings can achieve superior performance to prominent rehearsal-based ones. Rehearsal-free CIL methods struggle with distinguishing classes from different tasks, as those are not trained together. In this work we propose a regularization method based on virtual outliers to tighten decision boundaries of the classifier, such that confusion of classes among different tasks is mitigated. Recent prompt-based methods often require a pool of task-specific prompts, in order to prevent overwriting knowledge of previous tasks with that of the new task, leading to extra computation in querying and composing an appropriate prompt from the pool. This additional cost can be eliminated, without sacrificing accuracy, as we reveal in the paper. We illustrate that a simplified prompt-based method can achieve results comparable to previous state-of-the-art (SOTA) methods equipped with a prompt pool, using much less learnable parameters and lower inference cost. Our regularization method has demonstrated its compatibility with different prompt-based methods, boosting those previous SOTA rehearsal-free CIL methods' accuracy on the ImageNet-R and CIFAR-100 benchmarks. Our source code is available at https://github.com/jpmorganchase/ovor.

In symbolic regression, the goal is to find an analytical expression that accurately fits experimental data with the minimal use of mathematical symbols such as operators, variables, and constants. However, the combinatorial space of possible expressions can make it challenging for traditional evolutionary algorithms to find the correct expression in a reasonable amount of time. To address this issue, Neural Symbolic Regression (NSR) algorithms have been developed that can quickly identify patterns in the data and generate analytical expressions. However, these methods, in their current form, lack the capability to incorporate user-defined prior knowledge, which is often required in natural sciences and engineering fields. To overcome this limitation, we propose a novel neural symbolic regression method, named Neural Symbolic Regression with Hypothesis (NSRwH) that enables the explicit incorporation of assumptions about the expected structure of the ground-truth expression into the prediction process. Our experiments demonstrate that the proposed conditioned deep learning model outperforms its unconditioned counterparts in terms of accuracy while also providing control over the predicted expression structure.

We characterize the statistical efficiency of knowledge transfer through n samples from a teacher to a probabilistic student classifier with input space mathcal S over labels mathcal A. We show that privileged information at three progressive levels accelerates the transfer. At the first level, only samples with hard labels are known, via which the maximum likelihood estimator attains the minimax rate {|{mathcal S||{mathcal A}|}/{n}}. The second level has the teacher probabilities of sampled labels available in addition, which turns out to boost the convergence rate lower bound to {{|{mathcal S}||{mathcal A}|}/{n}}. However, under this second data acquisition protocol, minimizing a naive adaptation of the cross-entropy loss results in an asymptotically biased student. We overcome this limitation and achieve the fundamental limit by using a novel empirical variant of the squared error logit loss. The third level further equips the student with the soft labels (complete logits) on {mathcal A} given every sampled input, thereby provably enables the student to enjoy a rate {|{mathcal S}|}/{n} free of |{mathcal A}|. We find any Kullback-Leibler divergence minimizer to be optimal in the last case. Numerical simulations distinguish the four learners and corroborate our theory.

A ranker plays an indispensable role in the de facto 'retrieval & rerank' pipeline, but its training still lags behind -- learning from moderate negatives or/and serving as an auxiliary module for a retriever. In this work, we first identify two major barriers to a robust ranker, i.e., inherent label noises caused by a well-trained retriever and non-ideal negatives sampled for a high-capable ranker. Thereby, we propose multiple retrievers as negative generators improve the ranker's robustness, where i) involving extensive out-of-distribution label noises renders the ranker against each noise distribution, and ii) diverse hard negatives from a joint distribution are relatively close to the ranker's negative distribution, leading to more challenging thus effective training. To evaluate our robust ranker (dubbed R^2anker), we conduct experiments in various settings on the popular passage retrieval benchmark, including BM25-reranking, full-ranking, retriever distillation, etc. The empirical results verify the new state-of-the-art effectiveness of our model.

For tasks like code synthesis from natural language, code retrieval, and code summarization, data-driven models have shown great promise. However, creating these models require parallel data between natural language (NL) and code with fine-grained alignments. Stack Overflow (SO) is a promising source to create such a data set: the questions are diverse and most of them have corresponding answers with high-quality code snippets. However, existing heuristic methods (e.g., pairing the title of a post with the code in the accepted answer) are limited both in their coverage and the correctness of the NL-code pairs obtained. In this paper, we propose a novel method to mine high-quality aligned data from SO using two sets of features: hand-crafted features considering the structure of the extracted snippets, and correspondence features obtained by training a probabilistic model to capture the correlation between NL and code using neural networks. These features are fed into a classifier that determines the quality of mined NL-code pairs. Experiments using Python and Java as test beds show that the proposed method greatly expands coverage and accuracy over existing mining methods, even when using only a small number of labeled examples. Further, we find that reasonable results are achieved even when training the classifier on one language and testing on another, showing promise for scaling NL-code mining to a wide variety of programming languages beyond those for which we are able to annotate data.

In Novel Class Discovery (NCD), the goal is to find new classes in an unlabeled set given a labeled set of known but different classes. While NCD has recently gained attention from the community, no framework has yet been proposed for heterogeneous tabular data, despite being a very common representation of data. In this paper, we propose TabularNCD, a new method for discovering novel classes in tabular data. We show a way to extract knowledge from already known classes to guide the discovery process of novel classes in the context of tabular data which contains heterogeneous variables. A part of this process is done by a new method for defining pseudo labels, and we follow recent findings in Multi-Task Learning to optimize a joint objective function. Our method demonstrates that NCD is not only applicable to images but also to heterogeneous tabular data. Extensive experiments are conducted to evaluate our method and demonstrate its effectiveness against 3 competitors on 7 diverse public classification datasets.

Diffusion models have emerged as a powerful tool rivaling GANs in generating high-quality samples with improved fidelity, flexibility, and robustness. A key component of these models is to learn the score function through score matching. Despite empirical success on various tasks, it remains unclear whether gradient-based algorithms can learn the score function with a provable accuracy. As a first step toward answering this question, this paper establishes a mathematical framework for analyzing score estimation using neural networks trained by gradient descent. Our analysis covers both the optimization and the generalization aspects of the learning procedure. In particular, we propose a parametric form to formulate the denoising score-matching problem as a regression with noisy labels. Compared to the standard supervised learning setup, the score-matching problem introduces distinct challenges, including unbounded input, vector-valued output, and an additional time variable, preventing existing techniques from being applied directly. In this paper, we show that with proper designs, the evolution of neural networks during training can be accurately modeled by a series of kernel regression tasks. Furthermore, by applying an early-stopping rule for gradient descent and leveraging recent developments in neural tangent kernels, we establish the first generalization error (sample complexity) bounds for learning the score function with neural networks, despite the presence of noise in the observations. Our analysis is grounded in a novel parametric form of the neural network and an innovative connection between score matching and regression analysis, facilitating the application of advanced statistical and optimization techniques.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

Text classification of unseen classes is a challenging Natural Language Processing task and is mainly attempted using two different types of approaches. Similarity-based approaches attempt to classify instances based on similarities between text document representations and class description representations. Zero-shot text classification approaches aim to generalize knowledge gained from a training task by assigning appropriate labels of unknown classes to text documents. Although existing studies have already investigated individual approaches to these categories, the experiments in literature do not provide a consistent comparison. This paper addresses this gap by conducting a systematic evaluation of different similarity-based and zero-shot approaches for text classification of unseen classes. Different state-of-the-art approaches are benchmarked on four text classification datasets, including a new dataset from the medical domain. Additionally, novel SimCSE and SBERT-based baselines are proposed, as other baselines used in existing work yield weak classification results and are easily outperformed. Finally, the novel similarity-based Lbl2TransformerVec approach is presented, which outperforms previous state-of-the-art approaches in unsupervised text classification. Our experiments show that similarity-based approaches significantly outperform zero-shot approaches in most cases. Additionally, using SimCSE or SBERT embeddings instead of simpler text representations increases similarity-based classification results even further.

Machine learning models have recently found tremendous success in data-driven control systems. However, standard learning models often suffer from an accuracy-robustness trade-off, which is a limitation that must be overcome in the control of safety-critical systems that require both high performance and rigorous robustness guarantees. In this work, we build upon the recent "locally biased smoothing" method to develop classifiers that simultaneously inherit high accuracy from standard models and high robustness from robust models. Specifically, we extend locally biased smoothing to the multi-class setting, and then overcome its performance bottleneck by generalizing the formulation to "mix" the outputs of a standard neural network and a robust neural network. We prove that when the robustness of the robust base model is certifiable, within a closed-form ell_p radius, no alteration or attack on an input can result in misclassification of the mixed classifier; the proposed model inherits the certified robustness. Moreover, we use numerical experiments on the CIFAR-10 benchmark dataset to verify that the mixed model noticeably improves the accuracy-robustness trade-off.

We present a new approach for mitigating unfairness in learned classifiers. In particular, we focus on binary classification tasks over individuals from two populations, where, as our criterion for fairness, we wish to achieve similar false positive rates in both populations, and similar false negative rates in both populations. As a proof of concept, we implement our approach and empirically evaluate its ability to achieve both fairness and accuracy, using datasets from the fields of criminal risk assessment, credit, lending, and college admissions.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the sequential predictive conformal inference (SPCI). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of SPCI compared to other existing methods under the desired empirical coverage.

A novel gradient boosting framework is proposed where shallow neural networks are employed as ``weak learners''. General loss functions are considered under this unified framework with specific examples presented for classification, regression, and learning to rank. A fully corrective step is incorporated to remedy the pitfall of greedy function approximation of classic gradient boosting decision tree. The proposed model rendered outperforming results against state-of-the-art boosting methods in all three tasks on multiple datasets. An ablation study is performed to shed light on the effect of each model components and model hyperparameters.

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection methods have emerged with enhanced deep representation learning. They identify unseen OOD samples by measuring their distances from ID class centroids or prototypes. However, existing approaches learn the representation relying on oversimplified data assumptions, e.g, modeling ID data of each class with one centroid class prototype or using loss functions not designed for OOD detection, which overlook the natural diversities within the data. Naively enforcing data samples of each class to be compact around only one prototype leads to inadequate modeling of realistic data and limited performance. To tackle these issues, we propose PrototypicAl Learning with a Mixture of prototypes (PALM) which models each class with multiple prototypes to capture the sample diversities, and learns more faithful and compact samples embeddings to enhance OOD detection. Our method automatically identifies and dynamically updates prototypes, assigning each sample to a subset of prototypes via reciprocal neighbor soft assignment weights. PALM optimizes a maximum likelihood estimation (MLE) loss to encourage the sample embeddings to be compact around the associated prototypes, as well as a contrastive loss on all prototypes to enhance intra-class compactness and inter-class discrimination at the prototype level. Moreover, the automatic estimation of prototypes enables our approach to be extended to the challenging OOD detection task with unlabelled ID data. Extensive experiments demonstrate the superiority of PALM, achieving state-of-the-art average AUROC performance of 93.82 on the challenging CIFAR-100 benchmark. Code is available at https://github.com/jeff024/PALM.

This paper studies the prediction of a target z from a pair of random variables (x,y), where the ground-truth predictor is additive E[z mid x,y] = f_star(x) +g_{star}(y). We study the performance of empirical risk minimization (ERM) over functions f+g, f in F and g in G, fit on a given training distribution, but evaluated on a test distribution which exhibits covariate shift. We show that, when the class F is "simpler" than G (measured, e.g., in terms of its metric entropy), our predictor is more resilient to heterogenous covariate shifts in which the shift in x is much greater than that in y. These results rely on a novel H\"older style inequality for the Dudley integral which may be of independent interest. Moreover, we corroborate our theoretical findings with experiments demonstrating improved resilience to shifts in "simpler" features across numerous domains.

Machine learning practitioners often have access to a spectrum of data: labeled data for the target task (which is often limited), unlabeled data, and auxiliary data, the many available labeled datasets for other tasks. We describe TAGLETS, a system built to study techniques for automatically exploiting all three types of data and creating high-quality, servable classifiers. The key components of TAGLETS are: (1) auxiliary data organized according to a knowledge graph, (2) modules encapsulating different methods for exploiting auxiliary and unlabeled data, and (3) a distillation stage in which the ensembled modules are combined into a servable model. We compare TAGLETS with state-of-the-art transfer learning and semi-supervised learning methods on four image classification tasks. Our study covers a range of settings, varying the amount of labeled data and the semantic relatedness of the auxiliary data to the target task. We find that the intelligent incorporation of auxiliary and unlabeled data into multiple learning techniques enables TAGLETS to match-and most often significantly surpass-these alternatives. TAGLETS is available as an open-source system at github.com/BatsResearch/taglets.

In Novel Class Discovery (NCD), the goal is to find new classes in an unlabeled set given a labeled set of known but different classes. While NCD has recently gained attention from the community, no framework has yet been proposed for heterogeneous tabular data, despite being a very common representation of data. In this paper, we propose TabularNCD, a new method for discovering novel classes in tabular data. We show a way to extract knowledge from already known classes to guide the discovery process of novel classes in the context of tabular data which contains heterogeneous variables. A part of this process is done by a new method for defining pseudo labels, and we follow recent findings in Multi-Task Learning to optimize a joint objective function. Our method demonstrates that NCD is not only applicable to images but also to heterogeneous tabular data.

Probing classifiers have emerged as one of the prominent methodologies for interpreting and analyzing deep neural network models of natural language processing. The basic idea is simple -- a classifier is trained to predict some linguistic property from a model's representations -- and has been used to examine a wide variety of models and properties. However, recent studies have demonstrated various methodological limitations of this approach. This article critically reviews the probing classifiers framework, highlighting their promises, shortcomings, and advances.

Categorical variables often appear in datasets for classification and regression tasks, and they need to be encoded into numerical values before training. Since many encoders have been developed and can significantly impact performance, choosing the appropriate encoder for a task becomes a time-consuming yet important practical issue. This study broadly classifies machine learning models into three categories: 1) ATI models that implicitly perform affine transformations on inputs, such as multi-layer perceptron neural network; 2) Tree-based models that are based on decision trees, such as random forest; and 3) the rest, such as kNN. Theoretically, we prove that the one-hot encoder is the best choice for ATI models in the sense that it can mimic any other encoders by learning suitable weights from the data. We also explain why the target encoder and its variants are the most suitable encoders for tree-based models. This study conducted comprehensive computational experiments to evaluate 14 encoders, including one-hot and target encoders, along with eight common machine-learning models on 28 datasets. The computational results agree with our theoretical analysis. The findings in this study shed light on how to select the suitable encoder for data scientists in fields such as fraud detection, disease diagnosis, etc.

We describe nonparametric deconvolution models (NDMs), a family of Bayesian nonparametric models for collections of data in which each observation is the average over the features from heterogeneous particles. For example, these types of data are found in elections, where we observe precinct-level vote tallies (observations) of individual citizens' votes (particles) across each of the candidates or ballot measures (features), where each voter is part of a specific voter cohort or demographic (factor). Like the hierarchical Dirichlet process, NDMs rely on two tiers of Dirichlet processes to explain the data with an unknown number of latent factors; each observation is modeled as a weighted average of these latent factors. Unlike existing models, NDMs recover how factor distributions vary locally for each observation. This uniquely allows NDMs both to deconvolve each observation into its constituent factors, and also to describe how the factor distributions specific to each observation vary across observations and deviate from the corresponding global factors. We present variational inference techniques for this family of models and study its performance on simulated data and voting data from California. We show that including local factors improves estimates of global factors and provides a novel scaffold for exploring data.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

We study nonparametric density estimation in non-stationary drift settings. Given a sequence of independent samples taken from a distribution that gradually changes in time, the goal is to compute the best estimate for the current distribution. We prove tight minimax risk bounds for both discrete and continuous smooth densities, where the minimum is over all possible estimates and the maximum is over all possible distributions that satisfy the drift constraints. Our technique handles a broad class of drift models, and generalizes previous results on agnostic learning under drift.

Machine Learning has been steadily gaining traction for its use in Anomaly-based Network Intrusion Detection Systems (A-NIDS). Research into this domain is frequently performed using the KDD~CUP~99 dataset as a benchmark. Several studies question its usability while constructing a contemporary NIDS, due to the skewed response distribution, non-stationarity, and failure to incorporate modern attacks. In this paper, we compare the performance for KDD-99 alternatives when trained using classification models commonly found in literature: Neural Network, Support Vector Machine, Decision Tree, Random Forest, Naive Bayes and K-Means. Applying the SMOTE oversampling technique and random undersampling, we create a balanced version of NSL-KDD and prove that skewed target classes in KDD-99 and NSL-KDD hamper the efficacy of classifiers on minority classes (U2R and R2L), leading to possible security risks. We explore UNSW-NB15, a modern substitute to KDD-99 with greater uniformity of pattern distribution. We benchmark this dataset before and after SMOTE oversampling to observe the effect on minority performance. Our results indicate that classifiers trained on UNSW-NB15 match or better the Weighted F1-Score of those trained on NSL-KDD and KDD-99 in the binary case, thus advocating UNSW-NB15 as a modern substitute to these datasets.

In this research. we analyze the potential of Feature Density (HD) as a way to comparatively estimate machine learning (ML) classifier performance prior to training. The goal of the study is to aid in solving the problem of resource-intensive training of ML models which is becoming a serious issue due to continuously increasing dataset sizes and the ever rising popularity of Deep Neural Networks (DNN). The issue of constantly increasing demands for more powerful computational resources is also affecting the environment, as training large-scale ML models are causing alarmingly-growing amounts of CO2, emissions. Our approach 1s to optimize the resource-intensive training of ML models for Natural Language Processing to reduce the number of required experiments iterations. We expand on previous attempts on improving classifier training efficiency with FD while also providing an insight to the effectiveness of various linguistically-backed feature preprocessing methods for dialog classification, specifically cyberbullying detection.

We present a simple few-shot named entity recognition (NER) system based on nearest neighbor learning and structured inference. Our system uses a supervised NER model trained on the source domain, as a feature extractor. Across several test domains, we show that a nearest neighbor classifier in this feature-space is far more effective than the standard meta-learning approaches. We further propose a cheap but effective method to capture the label dependencies between entity tags without expensive CRF training. We show that our method of combining structured decoding with nearest neighbor learning achieves state-of-the-art performance on standard few-shot NER evaluation tasks, improving F1 scores by 6% to 16% absolute points over prior meta-learning based systems.

Training classifiers is difficult with severe class imbalance, but many rare events are the culmination of a sequence with much more common intermediate outcomes. For example, in online marketing a user first sees an ad, then may click on it, and finally may make a purchase; estimating the probability of purchases is difficult because of their rarity. We show both theoretically and through data experiments that the more abundant data in earlier steps may be leveraged to improve estimation of probabilities of rare events. We present PRESTO, a relaxation of the proportional odds model for ordinal regression. Instead of estimating weights for one separating hyperplane that is shifted by separate intercepts for each of the estimated Bayes decision boundaries between adjacent pairs of categorical responses, we estimate separate weights for each of these transitions. We impose an L1 penalty on the differences between weights for the same feature in adjacent weight vectors in order to shrink towards the proportional odds model. We prove that PRESTO consistently estimates the decision boundary weights under a sparsity assumption. Synthetic and real data experiments show that our method can estimate rare probabilities in this setting better than both logistic regression on the rare category, which fails to borrow strength from more abundant categories, and the proportional odds model, which is too inflexible.

Recently, a race towards the simplification of deep networks has begun, showing that it is effectively possible to reduce the size of these models with minimal or no performance loss. However, there is a general lack in understanding why these pruning strategies are effective. In this work, we are going to compare and analyze pruned solutions with two different pruning approaches, one-shot and gradual, showing the higher effectiveness of the latter. In particular, we find that gradual pruning allows access to narrow, well-generalizing minima, which are typically ignored when using one-shot approaches. In this work we also propose PSP-entropy, a measure to understand how a given neuron correlates to some specific learned classes. Interestingly, we observe that the features extracted by iteratively-pruned models are less correlated to specific classes, potentially making these models a better fit in transfer learning approaches.

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

Recent improvements in the quality of the generations by large language models have spurred research into identifying machine-generated text. Systems proposed for the task often achieve high performance. However, humans and machines can produce text in different styles and in different domains, and it remains unclear whether machine generated-text detection models favour particular styles or domains. In this paper, we critically examine the classification performance for detecting machine-generated text by evaluating on texts with varying writing styles. We find that classifiers are highly sensitive to stylistic changes and differences in text complexity, and in some cases degrade entirely to random classifiers. We further find that detection systems are particularly susceptible to misclassify easy-to-read texts while they have high performance for complex texts.

We develop a method for generating causal post-hoc explanations of black-box classifiers based on a learned low-dimensional representation of the data. The explanation is causal in the sense that changing learned latent factors produces a change in the classifier output statistics. To construct these explanations, we design a learning framework that leverages a generative model and information-theoretic measures of causal influence. Our objective function encourages both the generative model to faithfully represent the data distribution and the latent factors to have a large causal influence on the classifier output. Our method learns both global and local explanations, is compatible with any classifier that admits class probabilities and a gradient, and does not require labeled attributes or knowledge of causal structure. Using carefully controlled test cases, we provide intuition that illuminates the function of our objective. We then demonstrate the practical utility of our method on image recognition tasks.

This paper addresses a regression problem in which output label values are the results of sensing the magnitude of a phenomenon. A low value of such labels can mean either that the actual magnitude of the phenomenon was low or that the sensor made an incomplete observation. This leads to a bias toward lower values in labels and the resultant learning because labels may have lower values due to incomplete observations, even if the actual magnitude of the phenomenon was high. Moreover, because an incomplete observation does not provide any tags indicating incompleteness, we cannot eliminate or impute them. To address this issue, we propose a learning algorithm that explicitly models incomplete observations corrupted with an asymmetric noise that always has a negative value. We show that our algorithm is unbiased as if it were learned from uncorrupted data that does not involve incomplete observations. We demonstrate the advantages of our algorithm through numerical experiments.

Exemplar-free class-incremental learning (EFCIL) presents a significant challenge as the old class samples are absent for new task learning. Due to the severe imbalance between old and new class samples, the learned classifiers can be easily biased toward the new ones. Moreover, continually updating the feature extractor under EFCIL can compromise the discriminative power of old class features, e.g., leading to less compact and more overlapping distributions across classes. Existing methods mainly focus on handling biased classifier learning. In this work, both cases are considered using the proposed method. Specifically, we first introduce a Distribution-Based Global Classifier (DBGC) to avoid bias factors in existing methods, such as data imbalance and sampling. More importantly, the compromised distributions of old classes are simulated via a simple operation, variance enlarging (VE). Incorporating VE based on DBGC results in a novel classification loss for EFCIL. This loss is proven equivalent to an Adaptive Margin Softmax Cross Entropy (AMarX). The proposed method is thus called Adaptive Margin Global Classifier (AMGC). AMGC is simple yet effective. Extensive experiments show that AMGC achieves superior image classification results on its own under a challenging EFCIL setting. Detailed analysis is also provided for further demonstration.

Self-Supervised Learning (SSL) has become a prominent approach for acquiring visual representations across various tasks, yet its application in fine-grained visual recognition (FGVR) is challenged by the intricate task of distinguishing subtle differences between categories. To overcome this, we introduce an novel strategy that boosts SSL's ability to extract critical discriminative features vital for FGVR. This approach creates synthesized data pairs to guide the model to focus on discriminative features critical for FGVR during SSL. We start by identifying non-discriminative features using two main criteria: features with low variance that fail to effectively separate data and those deemed less important by Grad-CAM induced from the SSL loss. We then introduce perturbations to these non-discriminative features while preserving discriminative ones. A decoder is employed to reconstruct images from both perturbed and original feature vectors to create data pairs. An encoder is trained on such generated data pairs to become invariant to variations in non-discriminative dimensions while focusing on discriminative features, thereby improving the model's performance in FGVR tasks. We demonstrate the promising FGVR performance of the proposed approach through extensive evaluation on a wide variety of datasets.

Algorithms for min-max optimization and variational inequalities are often studied under monotonicity assumptions. Motivated by non-monotone machine learning applications, we follow the line of works [Diakonikolas et al., 2021, Lee and Kim, 2021, Pethick et al., 2022, B\"ohm, 2022] aiming at going beyond monotonicity by considering the weaker negative comonotonicity assumption. In particular, we provide tight complexity analyses for the Proximal Point, Extragradient, and Optimistic Gradient methods in this setup, closing some questions on their working guarantees beyond monotonicity.

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

From the Bayesian perspective, the category of conditional probabilities (a variant of the Kleisli category of the Giry monad, whose objects are measurable spaces and arrows are Markov kernels) gives a nice framework for conceptualization and analysis of many aspects of machine learning. Using categorical methods, we construct models for parametric and nonparametric Bayesian reasoning on function spaces, thus providing a basis for the supervised learning problem. In particular, stochastic processes are arrows to these function spaces which serve as prior probabilities. The resulting inference maps can often be analytically constructed in this symmetric monoidal weakly closed category. We also show how to view general stochastic processes using functor categories and demonstrate the Kalman filter as an archetype for the hidden Markov model.

We define and investigate the problem of c-approximate window search: approximate nearest neighbor search where each point in the dataset has a numeric label, and the goal is to find nearest neighbors to queries within arbitrary label ranges. Many semantic search problems, such as image and document search with timestamp filters, or product search with cost filters, are natural examples of this problem. We propose and theoretically analyze a modular tree-based framework for transforming an index that solves the traditional c-approximate nearest neighbor problem into a data structure that solves window search. On standard nearest neighbor benchmark datasets equipped with random label values, adversarially constructed embeddings, and image search embeddings with real timestamps, we obtain up to a 75times speedup over existing solutions at the same level of recall.

While prior research has proposed a plethora of methods that build neural classifiers robust against adversarial robustness, practitioners are still reluctant to adopt them due to their unacceptably severe clean accuracy penalties. This paper significantly alleviates this accuracy-robustness trade-off by mixing the output probabilities of a standard classifier and a robust classifier, where the standard network is optimized for clean accuracy and is not robust in general. We show that the robust base classifier's confidence difference for correct and incorrect examples is the key to this improvement. In addition to providing intuitions and empirical evidence, we theoretically certify the robustness of the mixed classifier under realistic assumptions. Furthermore, we adapt an adversarial input detector into a mixing network that adaptively adjusts the mixture of the two base models, further reducing the accuracy penalty of achieving robustness. The proposed flexible method, termed "adaptive smoothing", can work in conjunction with existing or even future methods that improve clean accuracy, robustness, or adversary detection. Our empirical evaluation considers strong attack methods, including AutoAttack and adaptive attack. On the CIFAR-100 dataset, our method achieves an 85.21% clean accuracy while maintaining a 38.72% ell_infty-AutoAttacked (epsilon = 8/255) accuracy, becoming the second most robust method on the RobustBench CIFAR-100 benchmark as of submission, while improving the clean accuracy by ten percentage points compared with all listed models. The code that implements our method is available at https://github.com/Bai-YT/AdaptiveSmoothing.

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.