Daily Papers

We introduce a new tool for interpreting neural net responses, namely full-gradients, which decomposes the neural net response into input sensitivity and per-neuron sensitivity components. This is the first proposed representation which satisfies two key properties: completeness and weak dependence, which provably cannot be satisfied by any saliency map-based interpretability method. For convolutional nets, we also propose an approximate saliency map representation, called FullGrad, obtained by aggregating the full-gradient components. We experimentally evaluate the usefulness of FullGrad in explaining model behaviour with two quantitative tests: pixel perturbation and remove-and-retrain. Our experiments reveal that our method explains model behaviour correctly, and more comprehensively than other methods in the literature. Visual inspection also reveals that our saliency maps are sharper and more tightly confined to object regions than other methods.

Adversarial purification refers to a class of defense methods that remove adversarial perturbations using a generative model. These methods do not make assumptions on the form of attack and the classification model, and thus can defend pre-existing classifiers against unseen threats. However, their performance currently falls behind adversarial training methods. In this work, we propose DiffPure that uses diffusion models for adversarial purification: Given an adversarial example, we first diffuse it with a small amount of noise following a forward diffusion process, and then recover the clean image through a reverse generative process. To evaluate our method against strong adaptive attacks in an efficient and scalable way, we propose to use the adjoint method to compute full gradients of the reverse generative process. Extensive experiments on three image datasets including CIFAR-10, ImageNet and CelebA-HQ with three classifier architectures including ResNet, WideResNet and ViT demonstrate that our method achieves the state-of-the-art results, outperforming current adversarial training and adversarial purification methods, often by a large margin. Project page: https://diffpure.github.io.

Low-rank training has emerged as a promising approach for reducing memory usage in training Large Language Models (LLMs). Previous methods either rely on decomposing weight matrices (e.g., LoRA), or seek to decompose gradient matrices (e.g., GaLore) to ensure reduced memory consumption. However, both of them constrain the training in a low-rank subspace, thus inevitably leading to sub-optimal performance. This raises a question: whether it is possible to consistently preserve the low-rank constraint for memory efficiency, while achieving full-rank training (i.e., training with full-rank gradients of full-rank weights) to avoid inferior outcomes? In this paper, we propose a new plug-and-play training framework for LLMs called Fira, as the first attempt to achieve this goal. First, we observe an interesting phenomenon during LLM training: the scaling impact of adaptive optimizers (e.g., Adam) on the gradient norm remains similar from low-rank to full-rank training. Based on this observation, we propose a norm-based scaling method, which utilizes the scaling impact of low-rank optimizers as substitutes for that of original full-rank optimizers to enable full-rank training. In this way, we can preserve the low-rank constraint in the optimizer while achieving full-rank training for better performance. Moreover, we find that there are sudden gradient rises during the optimization process, potentially causing loss spikes. To address this, we further put forward a norm-growth limiter to smooth the gradient via regulating the relative increase of gradient norms. Extensive experiments on the pre-training and fine-tuning of LLMs show that Fira outperforms both LoRA and GaLore, achieving performance that is comparable to or even better than full-rank training.

We study Stochastic Gradient Descent with AdaGrad stepsizes: a popular adaptive (self-tuning) method for first-order stochastic optimization. Despite being well studied, existing analyses of this method suffer from various shortcomings: they either assume some knowledge of the problem parameters, impose strong global Lipschitz conditions, or fail to give bounds that hold with high probability. We provide a comprehensive analysis of this basic method without any of these limitations, in both the convex and non-convex (smooth) cases, that additionally supports a general ``affine variance'' noise model and provides sharp rates of convergence in both the low-noise and high-noise~regimes.

Full-parameter fine-tuning has become the go-to choice for adapting language models (LMs) to downstream tasks due to its excellent performance. As LMs grow in size, fine-tuning the full parameters of LMs requires a prohibitively large amount of GPU memory. Existing approaches utilize zeroth-order optimizer to conserve GPU memory, which can potentially compromise the performance of LMs as non-zero order optimizers tend to converge more readily on most downstream tasks. In this paper, we propose a novel optimizer-independent end-to-end hierarchical fine-tuning strategy, HiFT, which only updates a subset of parameters at each training step. HiFT can significantly reduce the amount of gradients and optimizer state parameters residing in GPU memory at the same time, thereby reducing GPU memory usage. Our results demonstrate that: (1) HiFT achieves comparable performance to parameter-efficient fine-tuning and standard full parameter fine-tuning. (2) HiFT supports various optimizers including AdamW, AdaGrad, SGD, etc. (3) HiFT can save more than 60\% GPU memory compared with standard full-parameter fine-tuning for 7B model. (4) HiFT enables full-parameter fine-tuning of a 7B model on single 48G A6000 with a precision of 32 using the AdamW optimizer, without using any memory saving techniques.

Network quantization generally converts full-precision weights and/or activations into low-bit fixed-point values in order to accelerate an inference process. Recent approaches to network quantization further discretize the gradients into low-bit fixed-point values, enabling an efficient training. They typically set a quantization interval using a min-max range of the gradients or adjust the interval such that the quantization error for entire gradients is minimized. In this paper, we analyze the quantization error of gradients for the low-bit fixed-point training, and show that lowering the error for large-magnitude gradients boosts the quantization performance significantly. Based on this, we derive an upper bound of quantization error for the large gradients in terms of the quantization interval, and obtain an optimal condition for the interval minimizing the quantization error for large gradients. We also introduce an interval update algorithm that adjusts the quantization interval adaptively to maintain a small quantization error for large gradients. Experimental results demonstrate the effectiveness of our quantization method for various combinations of network architectures and bit-widths on various tasks, including image classification, object detection, and super-resolution.

Pre-trained large language models (LLMs) require fine-tuning to improve their responsiveness to natural language instructions. Federated learning (FL) offers a way to perform fine-tuning using the abundant data on end devices without compromising data privacy. Most existing federated fine-tuning methods for LLMs rely on parameter-efficient fine-tuning techniques, which may not reach the performance heights possible with full-parameter tuning. However, the communication overhead associated with full-parameter tuning is prohibitively high for both servers and clients. This work introduces FedKSeed, a novel approach that employs zeroth-order optimization (ZOO) with a set of random seeds. It enables federated full-parameter tuning of billion-sized LLMs directly on devices. Our method significantly reduces transmission requirements between the server and clients to just a few scalar gradients and random seeds, amounting to only a few thousand bytes. Building on this, we develop a strategy to assess the significance of ZOO perturbations for FL, allowing for probability-differentiated seed sampling. This prioritizes perturbations that have a greater impact on model accuracy. Experiments across six scenarios with different LLMs, datasets and data partitions demonstrate that our approach outperforms existing federated LLM fine-tuning methods in terms of both communication efficiency and new task generalization.

Large language model (LLM) training and finetuning are often bottlenecked by limited GPU memory. While existing projection-based optimization methods address this by projecting gradients into a lower-dimensional subspace to reduce optimizer state memory, they typically rely on dense projection matrices, which can introduce computational and memory overheads. In this work, we propose Grass (GRAdient Stuctured Sparsification), a novel approach that leverages sparse projections to transform gradients into structured sparse updates. This design not only significantly reduces memory usage for optimizer states but also minimizes gradient memory footprint, computation, and communication costs, leading to substantial throughput improvements. Extensive experiments on pretraining and finetuning tasks demonstrate that Grass achieves competitive performance to full-rank training and existing projection-based methods. Notably, Grass enables half-precision pretraining of a 13B parameter LLaMA model on a single 40GB A100 GPU--a feat infeasible for previous methods--and yields up to a 2times throughput improvement on an 8-GPU system. Code can be found at https://github.com/aashiqmuhamed/GRASS .

Modern Large Language Models (LLMs) are composed of matrices with billions of elements, making their storage and processing quite demanding in terms of computational resources and memory usage. Being significantly large, such matrices can often be expressed in low-rank format with potential to relax resource requirements. Unlike prior works which focus on developing novel matrix decomposition algorithms, in this work we first study the emergence of low-rank structures across matrices within different layers of LLMs and establish a consequential relationship between the gradient dynamics and emerging low-rank expressiveness of matrices. Our findings reveal that different layers exhibit varying levels of converged low-rank structure, necessitating a non-uniform rank reduction across them to minimize performance drop due to compression. In view of that, we present Weight Low-Rank Projection (WeLore) that unifies weight compression and memory-efficient fine-tuning as ONE, in a data-agnostic and one-shot way. WeLore capitalizes the heavy-tail distribution of singular values to identify a suitable rank reduction ratio for matrices within LLMs. Going beyond only as a compression technique, WeLore categorizes weight matrices into Low-rank Components (LRCs) and Non-Low-rank Components (N-LRCs) based on their ability to express themselves as low-rank. Our gradient perspective and extensive experiments illustrate that LRCs tend to have better finetuning capabilities and can closely mimic (sometimes outperform) the training loss trajectory and performance of full-finetuning with notable memory and compute footprint reduction. For example, finetuning a 50\% compressed LLaMa-2 7B model using only a fraction of parameters in LRCs (WeLore) can outperform its full finetuning with ~3x better throughput and ~0.6x GPU requirement. Our codes are available at https://github.com/VITA-Group/welore

Despite the success of Siamese encoder models such as sentence transformers (ST), little is known about the aspects of inputs they pay attention to. A barrier is that their predictions cannot be attributed to individual features, as they compare two inputs rather than processing a single one. This paper derives a local attribution method for Siamese encoders by generalizing the principle of integrated gradients to models with multiple inputs. The solution takes the form of feature-pair attributions, and can be reduced to a token-token matrix for STs. Our method involves the introduction of integrated Jacobians and inherits the advantageous formal properties of integrated gradients: it accounts for the model's full computation graph and is guaranteed to converge to the actual prediction. A pilot study shows that in an ST few token-pairs can often explain large fractions of predictions, and it focuses on nouns and verbs. For accurate predictions, it however needs to attend to the majority of tokens and parts of speech.

Leveraging second-order information about the loss at the scale of deep networks is one of the main lines of approach for improving the performance of current optimizers for deep learning. Yet, existing approaches for accurate full-matrix preconditioning, such as Full-Matrix Adagrad (GGT) or Matrix-Free Approximate Curvature (M-FAC) suffer from massive storage costs when applied even to small-scale models, as they must store a sliding window of gradients, whose memory requirements are multiplicative in the model dimension. In this paper, we address this issue via a novel and efficient error-feedback technique that can be applied to compress preconditioners by up to two orders of magnitude in practice, without loss of convergence. Specifically, our approach compresses the gradient information via sparsification or low-rank compression before it is fed into the preconditioner, feeding the compression error back into future iterations. Experiments on deep neural networks show that this approach can compress full-matrix preconditioners to up to 99\% sparsity without accuracy loss, effectively removing the memory overhead of full-matrix preconditioners such as GGT and M-FAC. Our code is available at https://github.com/IST-DASLab/EFCP.

Fine-tuning large-scale pretrained models is prohibitively expensive in terms of computational and memory costs. LoRA, as one of the most popular Parameter-Efficient Fine-Tuning (PEFT) methods, offers a cost-effective alternative by fine-tuning an auxiliary low-rank model that has significantly fewer parameters. Although LoRA reduces the computational and memory requirements significantly at each iteration, extensive empirical evidence indicates that it converges at a considerably slower rate compared to full fine-tuning, ultimately leading to increased overall compute and often worse test performance. In our paper, we perform an in-depth investigation of the initialization method of LoRA and show that careful initialization (without any change of the architecture and the training algorithm) can significantly enhance both efficiency and performance. In particular, we introduce a novel initialization method, LoRA-GA (Low Rank Adaptation with Gradient Approximation), which aligns the gradients of low-rank matrix product with those of full fine-tuning at the first step. Our extensive experiments demonstrate that LoRA-GA achieves a convergence rate comparable to that of full fine-tuning (hence being significantly faster than vanilla LoRA as well as various recent improvements) while simultaneously attaining comparable or even better performance. For example, on the subset of the GLUE dataset with T5-Base, LoRA-GA outperforms LoRA by 5.69% on average. On larger models such as Llama 2-7B, LoRA-GA shows performance improvements of 0.34, 11.52%, and 5.05% on MT-bench, GSM8K, and Human-eval, respectively. Additionally, we observe up to 2-4 times convergence speed improvement compared to vanilla LoRA, validating its effectiveness in accelerating convergence and enhancing model performance. Code is available at https://github.com/Outsider565/LoRA-GA.

It is widely believed that a neural network can fit a training set containing at least as many samples as it has parameters, underpinning notions of overparameterized and underparameterized models. In practice, however, we only find solutions accessible via our training procedure, including the optimizer and regularizers, limiting flexibility. Moreover, the exact parameterization of the function class, built into an architecture, shapes its loss surface and impacts the minima we find. In this work, we examine the ability of neural networks to fit data in practice. Our findings indicate that: (1) standard optimizers find minima where the model can only fit training sets with significantly fewer samples than it has parameters; (2) convolutional networks are more parameter-efficient than MLPs and ViTs, even on randomly labeled data; (3) while stochastic training is thought to have a regularizing effect, SGD actually finds minima that fit more training data than full-batch gradient descent; (4) the difference in capacity to fit correctly labeled and incorrectly labeled samples can be predictive of generalization; (5) ReLU activation functions result in finding minima that fit more data despite being designed to avoid vanishing and exploding gradients in deep architectures.

Differential private optimization for nonconvex smooth objective is considered. In the previous work, the best known utility bound is widetilde O(d/(nvarepsilon_DP)) in terms of the squared full gradient norm, which is achieved by Differential Private Gradient Descent (DP-GD) as an instance, where n is the sample size, d is the problem dimensionality and varepsilon_DP is the differential privacy parameter. To improve the best known utility bound, we propose a new differential private optimization framework called DIFF2 (DIFFerential private optimization via gradient DIFFerences) that constructs a differential private global gradient estimator with possibly quite small variance based on communicated gradient differences rather than gradients themselves. It is shown that DIFF2 with a gradient descent subroutine achieves the utility of widetilde O(d^{2/3}/(nvarepsilon_DP)^{4/3}), which can be significantly better than the previous one in terms of the dependence on the sample size n. To the best of our knowledge, this is the first fundamental result to improve the standard utility widetilde O(d/(nvarepsilon_DP)) for nonconvex objectives. Additionally, a more computational and communication efficient subroutine is combined with DIFF2 and its theoretical analysis is also given. Numerical experiments are conducted to validate the superiority of DIFF2 framework.

Nonconvex optimization is central in solving many machine learning problems, in which block-wise structure is commonly encountered. In this work, we propose cyclic block coordinate methods for nonconvex optimization problems with non-asymptotic gradient norm guarantees. Our convergence analysis is based on a gradient Lipschitz condition with respect to a Mahalanobis norm, inspired by a recent progress on cyclic block coordinate methods. In deterministic settings, our convergence guarantee matches the guarantee of (full-gradient) gradient descent, but with the gradient Lipschitz constant being defined w.r.t.~a Mahalanobis norm. In stochastic settings, we use recursive variance reduction to decrease the per-iteration cost and match the arithmetic operation complexity of current optimal stochastic full-gradient methods, with a unified analysis for both finite-sum and infinite-sum cases. We prove a faster linear convergence result when a Polyak-{\L}ojasiewicz (P{\L}) condition holds. To our knowledge, this work is the first to provide non-asymptotic convergence guarantees -- variance-reduced or not -- for a cyclic block coordinate method in general composite (smooth + nonsmooth) nonconvex settings. Our experimental results demonstrate the efficacy of the proposed cyclic scheme in training deep neural nets.

Data availability across domains often follows a long-tail distribution: a few domains have abundant data, while most face dat . a scarcity. This imbalance poses challenges in training language models uniformly across all domains. In our study, we focus on multilingual settings, where data sizes vary significantly between high- and low-resource languages. Common strategies to address this include upsampling low-resource languages (Temperature Sampling) or upweighting their loss (Scalarization). Although often considered equivalent, this assumption has not been proven, which motivates our study. Through both theoretical and empirical analysis, we identify the conditions under which these approaches are equivalent and when they diverge. Specifically, we demonstrate that these two methods are equivalent under full gradient descent, but this equivalence breaks down with stochastic gradient descent. Empirically, we observe that Temperature Sampling converges more quickly but is prone to overfitting. We argue that this faster convergence is likely due to the lower variance in gradient estimations, as shown theoretically. Based on these insights, we propose Cooldown, a strategy that reduces sampling temperature during training, accelerating convergence without overfitting to low-resource languages. Our method is competitive with existing data re-weighting and offers computational efficiency.

Meta-learning has emerged as an effective methodology to model several real-world tasks and problems due to its extraordinary effectiveness in the low-data regime. There are many scenarios ranging from the classification of rare diseases to language modelling of uncommon languages where the availability of large datasets is rare. Similarly, for more broader scenarios like self-driving, an autonomous vehicle needs to be trained to handle every situation well. This requires training the ML model on a variety of tasks with good quality data. But often times, we find that the data distribution across various tasks is skewed, i.e.the data follows a long-tail distribution. This leads to the model performing well on some tasks and not performing so well on others leading to model robustness issues. Meta-learning has recently emerged as a potential learning paradigm which can effectively learn from one task and generalize that learning to unseen tasks. In this study, we aim to exploit external knowledge of task relations to improve training stability via effective mini-batching of tasks. We hypothesize that selecting a diverse set of tasks in a mini-batch will lead to a better estimate of the full gradient and hence will lead to a reduction of noise in training.

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic differentiation algorithms that also includes the forward mode. We present a method to compute gradients based solely on the directional derivative that one can compute exactly and efficiently via the forward mode. We call this formulation the forward gradient, an unbiased estimate of the gradient that can be evaluated in a single forward run of the function, entirely eliminating the need for backpropagation in gradient descent. We demonstrate forward gradient descent in a range of problems, showing substantial savings in computation and enabling training up to twice as fast in some cases.

Fine-tuning large language models for different tasks can be costly and inefficient, and even methods that reduce the number of tuned parameters still require full gradient-based optimization. We propose HyperTuning, a novel approach to model adaptation that uses a hypermodel to generate task-specific parameters for a fixed downstream model. We demonstrate a simple setup for hypertuning with HyperT5, a T5-based hypermodel that produces soft prefixes or LoRA parameters for a frozen T5 model from few-shot examples. We train HyperT5 in two stages: first, hyperpretraining with a modified conditional language modeling objective that trains a hypermodel to generate parameters; second, multi-task fine-tuning (MTF) on a large number of diverse language tasks. We evaluate HyperT5 on P3, MetaICL and Super-NaturalInstructions datasets, and show that it can effectively generate parameters for unseen tasks. Moreover, we show that using hypermodel-generated parameters as initializations for further parameter-efficient fine-tuning improves performance. HyperTuning can thus be a flexible and efficient way to leverage large language models for diverse downstream applications.

Forward Gradients - the idea of using directional derivatives in forward differentiation mode - have recently been shown to be utilizable for neural network training while avoiding problems generally associated with backpropagation gradient computation, such as locking and memorization requirements. The cost is the requirement to guess the step direction, which is hard in high dimensions. While current solutions rely on weighted averages over isotropic guess vector distributions, we propose to strongly bias our gradient guesses in directions that are much more promising, such as feedback obtained from small, local auxiliary networks. For a standard computer vision neural network, we conduct a rigorous study systematically covering a variety of combinations of gradient targets and gradient guesses, including those previously presented in the literature. We find that using gradients obtained from a local loss as a candidate direction drastically improves on random noise in Forward Gradient methods.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework. Our code is available at github.com/jeffwillette/umbc

In this paper, we propose a general deep learning training framework XGrad which introduces weight prediction into the popular gradient-based optimizers to boost their convergence and generalization when training the deep neural network (DNN) models. In particular, ahead of each mini-batch training, the future weights are predicted according to the update rule of the used optimizer and are then applied to both the forward pass and backward propagation. In this way, during the whole training period, the optimizer always utilizes the gradients w.r.t. the future weights to update the DNN parameters, making the gradient-based optimizer achieve better convergence and generalization compared to the original optimizer without weight prediction. XGrad is rather straightforward to implement yet pretty effective in boosting the convergence of gradient-based optimizers and the accuracy of DNN models. Empirical results concerning the most three popular gradient-based optimizers including SGD with momentum, Adam, and AdamW demonstrate the effectiveness of our proposal. The experimental results validate that XGrad can attain higher model accuracy than the original optimizers when training the DNN models. The code of XGrad will be available at: https://github.com/guanleics/XGrad.

Explaining the output of a deep network remains a challenge. In the case of an image classifier, one type of explanation is to identify pixels that strongly influence the final decision. A starting point for this strategy is the gradient of the class score function with respect to the input image. This gradient can be interpreted as a sensitivity map, and there are several techniques that elaborate on this basic idea. This paper makes two contributions: it introduces SmoothGrad, a simple method that can help visually sharpen gradient-based sensitivity maps, and it discusses lessons in the visualization of these maps. We publish the code for our experiments and a website with our results.

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

We show that in a variety of large-scale deep learning scenarios the gradient dynamically converges to a very small subspace after a short period of training. The subspace is spanned by a few top eigenvectors of the Hessian (equal to the number of classes in the dataset), and is mostly preserved over long periods of training. A simple argument then suggests that gradient descent may happen mostly in this subspace. We give an example of this effect in a solvable model of classification, and we comment on possible implications for optimization and learning.

Data imbalance is a common problem in machine learning that can have a critical effect on the performance of a model. Various solutions exist but their impact on the convergence of the learning dynamics is not understood. Here, we elucidate the significant negative impact of data imbalance on learning, showing that the learning curves for minority and majority classes follow sub-optimal trajectories when training with a gradient-based optimizer. This slowdown is related to the imbalance ratio and can be traced back to a competition between the optimization of different classes. Our main contribution is the analysis of the convergence of full-batch (GD) and stochastic gradient descent (SGD), and of variants that renormalize the contribution of each per-class gradient. We find that GD is not guaranteed to decrease the loss for each class but that this problem can be addressed by performing a per-class normalization of the gradient. With SGD, class imbalance has an additional effect on the direction of the gradients: the minority class suffers from a higher directional noise, which reduces the effectiveness of the per-class gradient normalization. Our findings not only allow us to understand the potential and limitations of strategies involving the per-class gradients, but also the reason for the effectiveness of previously used solutions for class imbalance such as oversampling.

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.

The backpropagation algorithm has long been the canonical training method for neural networks. Modern paradigms are implicitly optimized for it, and numerous guidelines exist to ensure its proper use. Recently, synthetic gradients methods -where the error gradient is only roughly approximated - have garnered interest. These methods not only better portray how biological brains are learning, but also open new computational possibilities, such as updating layers asynchronously. Even so, they have failed to scale past simple tasks like MNIST or CIFAR-10. This is in part due to a lack of standards, leading to ill-suited models and practices forbidding such methods from performing to the best of their abilities. In this work, we focus on direct feedback alignment and present a set of best practices justified by observations of the alignment angles. We characterize a bottleneck effect that prevents alignment in narrow layers, and hypothesize it may explain why feedback alignment methods have yet to scale to large convolutional networks.

We propose a categorical semantics of gradient-based machine learning algorithms in terms of lenses, parametrised maps, and reverse derivative categories. This foundation provides a powerful explanatory and unifying framework: it encompasses a variety of gradient descent algorithms such as ADAM, AdaGrad, and Nesterov momentum, as well as a variety of loss functions such as as MSE and Softmax cross-entropy, shedding new light on their similarities and differences. Our approach to gradient-based learning has examples generalising beyond the familiar continuous domains (modelled in categories of smooth maps) and can be realized in the discrete setting of boolean circuits. Finally, we demonstrate the practical significance of our framework with an implementation in Python.

Machine learning systems typically assume that the distributions of training and test sets match closely. However, a critical requirement of such systems in the real world is their ability to generalize to unseen domains. Here, we propose an inter-domain gradient matching objective that targets domain generalization by maximizing the inner product between gradients from different domains. Since direct optimization of the gradient inner product can be computationally prohibitive -- requires computation of second-order derivatives -- we derive a simpler first-order algorithm named Fish that approximates its optimization. We demonstrate the efficacy of Fish on 6 datasets from the Wilds benchmark, which captures distribution shift across a diverse range of modalities. Our method produces competitive results on these datasets and surpasses all baselines on 4 of them. We perform experiments on both the Wilds benchmark, which captures distribution shift in the real world, as well as datasets in DomainBed benchmark that focuses more on synthetic-to-real transfer. Our method produces competitive results on both benchmarks, demonstrating its effectiveness across a wide range of domain generalization tasks.

We consider the training of the first layer of vision models and notice the clear relationship between pixel values and gradient update magnitudes: the gradients arriving at the weights of a first layer are by definition directly proportional to (normalized) input pixel values. Thus, an image with low contrast has a smaller impact on learning than an image with higher contrast, and a very bright or very dark image has a stronger impact on the weights than an image with moderate brightness. In this work, we propose performing gradient descent on the embeddings produced by the first layer of the model. However, switching to discrete inputs with an embedding layer is not a reasonable option for vision models. Thus, we propose the conceptual procedure of (i) a gradient descent step on first layer activations to construct an activation proposal, and (ii) finding the optimal weights of the first layer, i.e., those weights which minimize the squared distance to the activation proposal. We provide a closed form solution of the procedure and adjust it for robust stochastic training while computing everything efficiently. Empirically, we find that TrAct (Training Activations) speeds up training by factors between 1.25x and 4x while requiring only a small computational overhead. We demonstrate the utility of TrAct with different optimizers for a range of different vision models including convolutional and transformer architectures.

Fully quantized training (FQT) accelerates the training of deep neural networks by quantizing the activations, weights, and gradients into lower precision. To explore the ultimate limit of FQT (the lowest achievable precision), we make a first attempt to 1-bit FQT. We provide a theoretical analysis of FQT based on Adam and SGD, revealing that the gradient variance influences the convergence of FQT. Building on these theoretical results, we introduce an Activation Gradient Pruning (AGP) strategy. The strategy leverages the heterogeneity of gradients by pruning less informative gradients and enhancing the numerical precision of remaining gradients to mitigate gradient variance. Additionally, we propose Sample Channel joint Quantization (SCQ), which utilizes different quantization strategies in the computation of weight gradients and activation gradients to ensure that the method is friendly to low-bitwidth hardware. Finally, we present a framework to deploy our algorithm. For fine-tuning VGGNet-16 and ResNet-18 on multiple datasets, our algorithm achieves an average accuracy improvement of approximately 6%, compared to per-sample quantization. Moreover, our training speedup can reach a maximum of 5.13x compared to full precision training.

Restart techniques are common in gradient-free optimization to deal with multimodal functions. Partial warm restarts are also gaining popularity in gradient-based optimization to improve the rate of convergence in accelerated gradient schemes to deal with ill-conditioned functions. In this paper, we propose a simple warm restart technique for stochastic gradient descent to improve its anytime performance when training deep neural networks. We empirically study its performance on the CIFAR-10 and CIFAR-100 datasets, where we demonstrate new state-of-the-art results at 3.14% and 16.21%, respectively. We also demonstrate its advantages on a dataset of EEG recordings and on a downsampled version of the ImageNet dataset. Our source code is available at https://github.com/loshchil/SGDR

Momentum based optimizers are central to a wide range of machine learning applications. These typically rely on an Exponential Moving Average (EMA) of gradients, which decays exponentially the present contribution of older gradients. This accounts for gradients being local linear approximations which lose their relevance as the iterate moves along the loss landscape. This work questions the use of a single EMA to accumulate past gradients and empirically demonstrates how this choice can be sub-optimal: a single EMA cannot simultaneously give a high weight to the immediate past, and a non-negligible weight to older gradients. Building on this observation, we propose AdEMAMix, a simple modification of the Adam optimizer with a mixture of two EMAs to better take advantage of past gradients. Our experiments on language modeling and image classification show -- quite surprisingly -- that gradients can stay relevant for tens of thousands of steps. They help to converge faster, and often to lower minima: e.g., a 1.3B parameter AdEMAMix LLM trained on 101B tokens performs comparably to an AdamW model trained on 197B tokens (+95%). Moreover, our method significantly slows-down model forgetting during training. Our work motivates further exploration of different types of functions to leverage past gradients, beyond EMAs.

It is widely believed that the implicit regularization of SGD is fundamental to the impressive generalization behavior we observe in neural networks. In this work, we demonstrate that non-stochastic full-batch training can achieve comparably strong performance to SGD on CIFAR-10 using modern architectures. To this end, we show that the implicit regularization of SGD can be completely replaced with explicit regularization even when comparing against a strong and well-researched baseline. Our observations indicate that the perceived difficulty of full-batch training may be the result of its optimization properties and the disproportionate time and effort spent by the ML community tuning optimizers and hyperparameters for small-batch training.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

Contrastive learning has been applied successfully to learn vector representations of text. Previous research demonstrated that learning high-quality representations benefits from batch-wise contrastive loss with a large number of negatives. In practice, the technique of in-batch negative is used, where for each example in a batch, other batch examples' positives will be taken as its negatives, avoiding encoding extra negatives. This, however, still conditions each example's loss on all batch examples and requires fitting the entire large batch into GPU memory. This paper introduces a gradient caching technique that decouples backpropagation between contrastive loss and the encoder, removing encoder backward pass data dependency along the batch dimension. As a result, gradients can be computed for one subset of the batch at a time, leading to almost constant memory usage.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

There are two widely known issues with properly training Recurrent Neural Networks, the vanishing and the exploding gradient problems detailed in Bengio et al. (1994). In this paper we attempt to improve the understanding of the underlying issues by exploring these problems from an analytical, a geometric and a dynamical systems perspective. Our analysis is used to justify a simple yet effective solution. We propose a gradient norm clipping strategy to deal with exploding gradients and a soft constraint for the vanishing gradients problem. We validate empirically our hypothesis and proposed solutions in the experimental section.

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on costly computation resources, which hinders people with cheap devices from appreciating the advanced technology. In this paper, we propose Cross Stage Partial Network (CSPNet) to mitigate the problem that previous works require heavy inference computations from the network architecture perspective. We attribute the problem to the duplicate gradient information within network optimization. The proposed networks respect the variability of the gradients by integrating feature maps from the beginning and the end of a network stage, which, in our experiments, reduces computations by 20% with equivalent or even superior accuracy on the ImageNet dataset, and significantly outperforms state-of-the-art approaches in terms of AP50 on the MS COCO object detection dataset. The CSPNet is easy to implement and general enough to cope with architectures based on ResNet, ResNeXt, and DenseNet. Source code is at https://github.com/WongKinYiu/CrossStagePartialNetworks.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

The gradients of convex functions are expressive models of non-trivial vector fields. For example, Brenier's theorem yields that the optimal transport map between any two measures on Euclidean space under the squared distance is realized as a convex gradient, which is a key insight used in recent generative flow models. In this paper, we study how to model convex gradients by integrating a Jacobian-vector product parameterized by a neural network, which we call the Input Convex Gradient Network (ICGN). We theoretically study ICGNs and compare them to taking the gradient of an Input-Convex Neural Network (ICNN), empirically demonstrating that a single layer ICGN can fit a toy example better than a single layer ICNN. Lastly, we explore extensions to deeper networks and connections to constructions from Riemannian geometry.

We propose a new dataset distillation algorithm using reparameterization and convexification of implicit gradients (RCIG), that substantially improves the state-of-the-art. To this end, we first formulate dataset distillation as a bi-level optimization problem. Then, we show how implicit gradients can be effectively used to compute meta-gradient updates. We further equip the algorithm with a convexified approximation that corresponds to learning on top of a frozen finite-width neural tangent kernel. Finally, we improve bias in implicit gradients by parameterizing the neural network to enable analytical computation of final-layer parameters given the body parameters. RCIG establishes the new state-of-the-art on a diverse series of dataset distillation tasks. Notably, with one image per class, on resized ImageNet, RCIG sees on average a 108% improvement over the previous state-of-the-art distillation algorithm. Similarly, we observed a 66% gain over SOTA on Tiny-ImageNet and 37% on CIFAR-100.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

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.

Backpropagation, the cornerstone of deep learning, is limited to computing gradients for continuous variables. This limitation poses challenges for problems involving discrete latent variables. To address this issue, we propose a novel approach to approximate the gradient of parameters involved in generating discrete latent variables. First, we examine the widely used Straight-Through (ST) heuristic and demonstrate that it works as a first-order approximation of the gradient. Guided by our findings, we propose ReinMax, which achieves second-order accuracy by integrating Heun's method, a second-order numerical method for solving ODEs. ReinMax does not require Hessian or other second-order derivatives, thus having negligible computation overheads. Extensive experimental results on various tasks demonstrate the superiority of ReinMax over the state of the art. Implementations are released at https://github.com/microsoft/ReinMax.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

We present Direct Reward Fine-Tuning (DRaFT), a simple and effective method for fine-tuning diffusion models to maximize differentiable reward functions, such as scores from human preference models. We first show that it is possible to backpropagate the reward function gradient through the full sampling procedure, and that doing so achieves strong performance on a variety of rewards, outperforming reinforcement learning-based approaches. We then propose more efficient variants of DRaFT: DRaFT-K, which truncates backpropagation to only the last K steps of sampling, and DRaFT-LV, which obtains lower-variance gradient estimates for the case when K=1. We show that our methods work well for a variety of reward functions and can be used to substantially improve the aesthetic quality of images generated by Stable Diffusion 1.4. Finally, we draw connections between our approach and prior work, providing a unifying perspective on the design space of gradient-based fine-tuning algorithms.

Stochastic Gradient Decent (SGD) is one of the core techniques behind the success of deep neural networks. The gradient provides information on the direction in which a function has the steepest rate of change. The main problem with basic SGD is to change by equal sized steps for all parameters, irrespective of gradient behavior. Hence, an efficient way of deep network optimization is to make adaptive step sizes for each parameter. Recently, several attempts have been made to improve gradient descent methods such as AdaGrad, AdaDelta, RMSProp and Adam. These methods rely on the square roots of exponential moving averages of squared past gradients. Thus, these methods do not take advantage of local change in gradients. In this paper, a novel optimizer is proposed based on the difference between the present and the immediate past gradient (i.e., diffGrad). In the proposed diffGrad optimization technique, the step size is adjusted for each parameter in such a way that it should have a larger step size for faster gradient changing parameters and a lower step size for lower gradient changing parameters. The convergence analysis is done using the regret bound approach of online learning framework. Rigorous analysis is made in this paper over three synthetic complex non-convex functions. The image categorization experiments are also conducted over the CIFAR10 and CIFAR100 datasets to observe the performance of diffGrad with respect to the state-of-the-art optimizers such as SGDM, AdaGrad, AdaDelta, RMSProp, AMSGrad, and Adam. The residual unit (ResNet) based Convolutional Neural Networks (CNN) architecture is used in the experiments. The experiments show that diffGrad outperforms other optimizers. Also, we show that diffGrad performs uniformly well for training CNN using different activation functions. The source code is made publicly available at https://github.com/shivram1987/diffGrad.

The quadratic computational complexity in the self-attention mechanism of popular transformer architectures poses significant challenges for training and inference, particularly in terms of efficiency and memory requirements. Towards addressing these challenges, this paper introduces a novel fast computation method for gradient calculation in multi-layer transformer models. Our approach enables the computation of gradients for the entire multi-layer transformer model in almost linear time n^{1+o(1)}, where n is the input sequence length. This breakthrough significantly reduces the computational bottleneck associated with the traditional quadratic time complexity. Our theory holds for any loss function and maintains a bounded approximation error across the entire model. Furthermore, our analysis can hold when the multi-layer transformer model contains many practical sub-modules, such as residual connection, casual mask, and multi-head attention. By improving the efficiency of gradient computation in large language models, we hope that our work will facilitate the more effective training and deployment of long-context language models based on our theoretical results.

Our proposed deeply-supervised nets (DSN) method simultaneously minimizes classification error while making the learning process of hidden layers direct and transparent. We make an attempt to boost the classification performance by studying a new formulation in deep networks. Three aspects in convolutional neural networks (CNN) style architectures are being looked at: (1) transparency of the intermediate layers to the overall classification; (2) discriminativeness and robustness of learned features, especially in the early layers; (3) effectiveness in training due to the presence of the exploding and vanishing gradients. We introduce "companion objective" to the individual hidden layers, in addition to the overall objective at the output layer (a different strategy to layer-wise pre-training). We extend techniques from stochastic gradient methods to analyze our algorithm. The advantage of our method is evident and our experimental result on benchmark datasets shows significant performance gain over existing methods (e.g. all state-of-the-art results on MNIST, CIFAR-10, CIFAR-100, and SVHN).

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

Production deployments in complex systems require ML architectures to be highly efficient and usable against multiple tasks. Particularly demanding are classification problems in which data arrives in a streaming fashion and each class is presented separately. Recent methods with stochastic gradient learning have been shown to struggle in such setups or have limitations like memory buffers, and being restricted to specific domains that disable its usage in real-world scenarios. For this reason, we present a fully differentiable architecture based on the Mixture of Experts model, that enables the training of high-performance classifiers when examples from each class are presented separately. We conducted exhaustive experiments that proved its applicability in various domains and ability to learn online in production environments. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods.

Binarization of neural networks is a dominant paradigm in neural networks compression. The pioneering work BinaryConnect uses Straight Through Estimator (STE) to mimic the gradients of the sign function, but it also causes the crucial inconsistency problem. Most of the previous methods design different estimators instead of STE to mitigate it. However, they ignore the fact that when reducing the estimating error, the gradient stability will decrease concomitantly. These highly divergent gradients will harm the model training and increase the risk of gradient vanishing and gradient exploding. To fully take the gradient stability into consideration, we present a new perspective to the BNNs training, regarding it as the equilibrium between the estimating error and the gradient stability. In this view, we firstly design two indicators to quantitatively demonstrate the equilibrium phenomenon. In addition, in order to balance the estimating error and the gradient stability well, we revise the original straight through estimator and propose a power function based estimator, Rectified Straight Through Estimator (ReSTE for short). Comparing to other estimators, ReSTE is rational and capable of flexibly balancing the estimating error with the gradient stability. Extensive experiments on CIFAR-10 and ImageNet datasets show that ReSTE has excellent performance and surpasses the state-of-the-art methods without any auxiliary modules or losses.

We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging from biology to computer vision. However, a rich yet separate line of learning theoretic research has demonstrated that actually learning shallow, fully-connected (i.e. non-symmetric) networks has exponential complexity in the correlational statistical query (CSQ) model, a framework encompassing gradient descent. In this work, we ask: are known problem symmetries sufficient to alleviate the fundamental hardness of learning neural nets with gradient descent? We answer this question in the negative. In particular, we give lower bounds for shallow graph neural networks, convolutional networks, invariant polynomials, and frame-averaged networks for permutation subgroups, which all scale either superpolynomially or exponentially in the relevant input dimension. Therefore, in spite of the significant inductive bias imparted via symmetry, actually learning the complete classes of functions represented by equivariant neural networks via gradient descent remains hard.

Gradient methods have become mainstream techniques for Bi-Level Optimization (BLO) in learning fields. The validity of existing works heavily rely on either a restrictive Lower- Level Strong Convexity (LLSC) condition or on solving a series of approximation subproblems with high accuracy or both. In this work, by averaging the upper and lower level objectives, we propose a single loop Bi-level Averaged Method of Multipliers (sl-BAMM) for BLO that is simple yet efficient for large-scale BLO and gets rid of the limited LLSC restriction. We further provide non-asymptotic convergence analysis of sl-BAMM towards KKT stationary points, and the comparative advantage of our analysis lies in the absence of strong gradient boundedness assumption, which is always required by others. Thus our theory safely captures a wider variety of applications in deep learning, especially where the upper-level objective is quadratic w.r.t. the lower-level variable. Experimental results demonstrate the superiority of our method.

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens X and makes them interact through pairwise similarities computed as softmax(XQK^top X^top), where (K,Q) are the trainable key-query parameters. In this work, we establish a formal equivalence between the optimization geometry of self-attention and a hard-margin SVM problem that separates optimal input tokens from non-optimal tokens using linear constraints on the outer-products of token pairs. This formalism allows us to characterize the implicit bias of 1-layer transformers optimized with gradient descent: (1) Optimizing the attention layer with vanishing regularization, parameterized by (K,Q), converges in direction to an SVM solution minimizing the nuclear norm of the combined parameter W=KQ^top. Instead, directly parameterizing by W minimizes a Frobenius norm objective. We characterize this convergence, highlighting that it can occur toward locally-optimal directions rather than global ones. (2) Complementing this, we prove the local/global directional convergence of gradient descent under suitable geometric conditions. Importantly, we show that over-parameterization catalyzes global convergence by ensuring the feasibility of the SVM problem and by guaranteeing a benign optimization landscape devoid of stationary points. (3) While our theory applies primarily to linear prediction heads, we propose a more general SVM equivalence that predicts the implicit bias with nonlinear heads. Our findings are applicable to arbitrary datasets and their validity is verified via experiments. We also introduce several open problems and research directions. We believe these findings inspire the interpretation of transformers as a hierarchy of SVMs that separates and selects optimal tokens.

We show that deep neural networks (DNNs) can efficiently learn any composition of functions with bounded F_{1}-norm, which allows DNNs to break the curse of dimensionality in ways that shallow networks cannot. More specifically, we derive a generalization bound that combines a covering number argument for compositionality, and the F_{1}-norm (or the related Barron norm) for large width adaptivity. We show that the global minimizer of the regularized loss of DNNs can fit for example the composition of two functions f^{*}=hcirc g from a small number of observations, assuming g is smooth/regular and reduces the dimensionality (e.g. g could be the modulo map of the symmetries of f^{*}), so that h can be learned in spite of its low regularity. The measures of regularity we consider is the Sobolev norm with different levels of differentiability, which is well adapted to the F_{1} norm. We compute scaling laws empirically and observe phase transitions depending on whether g or h is harder to learn, as predicted by our theory.

Dataset distillation or condensation aims to generate a smaller but representative subset from a large dataset, which allows a model to be trained more efficiently, meanwhile evaluating on the original testing data distribution to achieve decent performance. Previous decoupled methods like SRe^2L simply use a unified gradient update scheme for synthesizing data from Gaussian noise, while, we notice that the initial several update iterations will determine the final outline of synthesis, thus an improper gradient update strategy may dramatically affect the final generation quality. To address this, we introduce a simple yet effective global-to-local gradient refinement approach enabled by curriculum data augmentation (CDA) during data synthesis. The proposed framework achieves the current published highest accuracy on both large-scale ImageNet-1K and 21K with 63.2% under IPC (Images Per Class) 50 and 36.1% under IPC 20, using a regular input resolution of 224times224 with faster convergence speed and less synthetic time. The proposed model outperforms the current state-of-the-art methods like SRe^2L, TESLA, and MTT by more than 4% Top-1 accuracy on ImageNet-1K/21K and for the first time, reduces the gap to its full-data training counterparts to less than absolute 15%. Moreover, this work represents the inaugural success in dataset distillation on the larger-scale ImageNet-21K dataset under the standard 224times224 resolution. Our code and distilled ImageNet-21K dataset of 20 IPC, 2K recovery budget are available at https://github.com/VILA-Lab/SRe2L/tree/main/CDA.

Deep neural networks are vulnerable to universal adversarial perturbation (UAP), an instance-agnostic perturbation capable of fooling the target model for most samples. Compared to instance-specific adversarial examples, UAP is more challenging as it needs to generalize across various samples and models. In this paper, we examine the serious dilemma of UAP generation methods from a generalization perspective -- the gradient vanishing problem using small-batch stochastic gradient optimization and the local optima problem using large-batch optimization. To address these problems, we propose a simple and effective method called Stochastic Gradient Aggregation (SGA), which alleviates the gradient vanishing and escapes from poor local optima at the same time. Specifically, SGA employs the small-batch training to perform multiple iterations of inner pre-search. Then, all the inner gradients are aggregated as a one-step gradient estimation to enhance the gradient stability and reduce quantization errors. Extensive experiments on the standard ImageNet dataset demonstrate that our method significantly enhances the generalization ability of UAP and outperforms other state-of-the-art methods. The code is available at https://github.com/liuxuannan/Stochastic-Gradient-Aggregation.

Data augmentation is essential to achieve state-of-the-art performance in many deep learning applications. However, the most effective augmentation techniques become computationally prohibitive for even medium-sized datasets. To address this, we propose a rigorous technique to select subsets of data points that when augmented, closely capture the training dynamics of full data augmentation. We first show that data augmentation, modeled as additive perturbations, improves learning and generalization by relatively enlarging and perturbing the smaller singular values of the network Jacobian, while preserving its prominent directions. This prevents overfitting and enhances learning the harder to learn information. Then, we propose a framework to iteratively extract small subsets of training data that when augmented, closely capture the alignment of the fully augmented Jacobian with labels/residuals. We prove that stochastic gradient descent applied to the augmented subsets found by our approach has similar training dynamics to that of fully augmented data. Our experiments demonstrate that our method achieves 6.3x speedup on CIFAR10 and 2.2x speedup on SVHN, and outperforms the baselines by up to 10% across various subset sizes. Similarly, on TinyImageNet and ImageNet, our method beats the baselines by up to 8%, while achieving up to 3.3x speedup across various subset sizes. Finally, training on and augmenting 50% subsets using our method on a version of CIFAR10 corrupted with label noise even outperforms using the full dataset. Our code is available at: https://github.com/tianyu139/data-efficient-augmentation

We propose a new variant of AMSGrad, a popular adaptive gradient based optimization algorithm widely used for training deep neural networks. Our algorithm adds prior knowledge about the sequence of consecutive mini-batch gradients and leverages its underlying structure making the gradients sequentially predictable. By exploiting the predictability and ideas from optimistic online learning, the proposed algorithm can accelerate the convergence and increase sample efficiency. After establishing a tighter upper bound under some convexity conditions on the regret, we offer a complimentary view of our algorithm which generalizes the offline and stochastic version of nonconvex optimization. In the nonconvex case, we establish a non-asymptotic convergence bound independently of the initialization. We illustrate the practical speedup on several deep learning models via numerical experiments.

Many machine learning methods operate by inverting a neural network at inference time, which has become a popular technique for solving inverse problems in computer vision, robotics, and graphics. However, these methods often involve gradient descent through a highly non-convex loss landscape, causing the optimization process to be unstable and slow. We introduce a method that learns a loss landscape where gradient descent is efficient, bringing massive improvement and acceleration to the inversion process. We demonstrate this advantage on a number of methods for both generative and discriminative tasks, including GAN inversion, adversarial defense, and 3D human pose reconstruction.

Policy gradient methods hold great potential for solving complex continuous control tasks. Still, their training efficiency can be improved by exploiting structure within the optimization problem. Recent work indicates that supervised learning can be accelerated by leveraging the fact that gradients lie in a low-dimensional and slowly-changing subspace. In this paper, we conduct a thorough evaluation of this phenomenon for two popular deep policy gradient methods on various simulated benchmark tasks. Our results demonstrate the existence of such gradient subspaces despite the continuously changing data distribution inherent to reinforcement learning. These findings reveal promising directions for future work on more efficient reinforcement learning, e.g., through improving parameter-space exploration or enabling second-order optimization.

We introduce MADGRAD, a novel optimization method in the family of AdaGrad adaptive gradient methods. MADGRAD shows excellent performance on deep learning optimization problems from multiple fields, including classification and image-to-image tasks in vision, and recurrent and bidirectionally-masked models in natural language processing. For each of these tasks, MADGRAD matches or outperforms both SGD and ADAM in test set performance, even on problems for which adaptive methods normally perform poorly.

Optimization in machine learning, both theoretical and applied, is presently dominated by first-order gradient methods such as stochastic gradient descent. Second-order optimization methods, that involve second derivatives and/or second order statistics of the data, are far less prevalent despite strong theoretical properties, due to their prohibitive computation, memory and communication costs. In an attempt to bridge this gap between theoretical and practical optimization, we present a scalable implementation of a second-order preconditioned method (concretely, a variant of full-matrix Adagrad), that along with several critical algorithmic and numerical improvements, provides significant convergence and wall-clock time improvements compared to conventional first-order methods on state-of-the-art deep models. Our novel design effectively utilizes the prevalent heterogeneous hardware architecture for training deep models, consisting of a multicore CPU coupled with multiple accelerator units. We demonstrate superior performance compared to state-of-the-art on very large learning tasks such as machine translation with Transformers, language modeling with BERT, click-through rate prediction on Criteo, and image classification on ImageNet with ResNet-50.

Explaining the predictions of deep neural nets has been a topic of great interest in the computer vision literature. While several gradient-based interpretation schemes have been proposed to reveal the influential variables in a neural net's prediction, standard gradient-based interpretation frameworks have been commonly observed to lack robustness to input perturbations and flexibility for incorporating prior knowledge of sparsity and group-sparsity structures. In this work, we propose MoreauGrad as an interpretation scheme based on the classifier neural net's Moreau envelope. We demonstrate that MoreauGrad results in a smooth and robust interpretation of a multi-layer neural network and can be efficiently computed through first-order optimization methods. Furthermore, we show that MoreauGrad can be naturally combined with L_1-norm regularization techniques to output a sparse or group-sparse explanation which are prior conditions applicable to a wide range of deep learning applications. We empirically evaluate the proposed MoreauGrad scheme on standard computer vision datasets, showing the qualitative and quantitative success of the MoreauGrad approach in comparison to standard gradient-based interpretation methods.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

We show how to transform a non-differentiable rasterizer into a differentiable one with minimal engineering efforts and no external dependencies (no Pytorch/Tensorflow). We rely on Stochastic Gradient Estimation, a technique that consists of rasterizing after randomly perturbing the scene's parameters such that their gradient can be stochastically estimated and descended. This method is simple and robust but does not scale in dimensionality (number of scene parameters). Our insight is that the number of parameters contributing to a given rasterized pixel is bounded. Estimating and averaging gradients on a per-pixel basis hence bounds the dimensionality of the underlying optimization problem and makes the method scalable. Furthermore, it is simple to track per-pixel contributing parameters by rasterizing ID- and UV-buffers, which are trivial additions to a rasterization engine if not already available. With these minor modifications, we obtain an in-engine optimizer for 3D assets with millions of geometry and texture parameters.

Saliency methods seek to explain the predictions of a model by producing an importance map across each input sample. A popular class of such methods is based on backpropagating a signal and analyzing the resulting gradient. Despite much research on such methods, relatively little work has been done to clarify the differences between such methods as well as the desiderata of these techniques. Thus, there is a need for rigorously understanding the relationships between different methods as well as their failure modes. In this work, we conduct a thorough analysis of backpropagation-based saliency methods and propose a single framework under which several such methods can be unified. As a result of our study, we make three additional contributions. First, we use our framework to propose NormGrad, a novel saliency method based on the spatial contribution of gradients of convolutional weights. Second, we combine saliency maps at different layers to test the ability of saliency methods to extract complementary information at different network levels (e.g.~trading off spatial resolution and distinctiveness) and we explain why some methods fail at specific layers (e.g., Grad-CAM anywhere besides the last convolutional layer). Third, we introduce a class-sensitivity metric and a meta-learning inspired paradigm applicable to any saliency method for improving sensitivity to the output class being explained.

Quantization scale and bit-width are the most important parameters when considering how to quantize a neural network. Prior work focuses on optimizing quantization scales in a global manner through gradient methods (gradient descent \& Hessian analysis). Yet, when applying perturbations to quantization scales, we observe a very jagged, highly non-smooth test loss landscape. In fact, small perturbations in quantization scale can greatly affect accuracy, yielding a 0.5-0.8% accuracy boost in 4-bit quantized vision transformers (ViTs). In this regime, gradient methods break down, since they cannot reliably reach local minima. In our work, dubbed Evol-Q, we use evolutionary search to effectively traverse the non-smooth landscape. Additionally, we propose using an infoNCE loss, which not only helps combat overfitting on the small calibration dataset (1,000 images) but also makes traversing such a highly non-smooth surface easier. Evol-Q improves the top-1 accuracy of a fully quantized ViT-Base by 10.30%, 0.78%, and 0.15% for 3-bit, 4-bit, and 8-bit weight quantization levels. Extensive experiments on a variety of CNN and ViT architectures further demonstrate its robustness in extreme quantization scenarios. Our code is available at https://github.com/enyac-group/evol-q

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

In this paper, by introducing Generalized Bernstein condition, we propose the first Obig(sqrt{p}{nepsilon}big) high probability excess population risk bound for differentially private algorithms under the assumptions G-Lipschitz, L-smooth, and Polyak-{\L}ojasiewicz condition, based on gradient perturbation method. If we replace the properties G-Lipschitz and L-smooth by alpha-H{\"o}lder smoothness (which can be used in non-smooth setting), the high probability bound comes to Obig(n^{-alpha{1+2alpha}}big) w.r.t n, which cannot achieve Oleft(1/nright) when alphain(0,1]. To solve this problem, we propose a variant of gradient perturbation method, max{1,g-Normalized Gradient Perturbation} (m-NGP). We further show that by normalization, the high probability excess population risk bound under assumptions alpha-H{\"o}lder smooth and Polyak-{\L}ojasiewicz condition can achieve Obig(sqrt{p}{nepsilon}big), which is the first Oleft(1/nright) high probability excess population risk bound w.r.t n for differentially private algorithms under non-smooth conditions. Moreover, we evaluate the performance of the new proposed algorithm m-NGP, the experimental results show that m-NGP improves the performance of the differentially private model over real datasets. It demonstrates that m-NGP improves the utility bound and the accuracy of the DP model on real datasets simultaneously.

Beyond minimizing a single training loss, many deep learning estimation pipelines rely on an auxiliary objective to quantify and encourage desirable properties of the model (e.g. performance on another dataset, robustness, agreement with a prior). Although the simplest approach to incorporating an auxiliary loss is to sum it with the training loss as a regularizer, recent works have shown that one can improve performance by blending the gradients beyond a simple sum; this is known as gradient surgery. We cast the problem as a constrained minimization problem where the auxiliary objective is minimized among the set of minimizers of the training loss. To solve this bilevel problem, we follow a parameter update direction that combines the training loss gradient and the orthogonal projection of the auxiliary gradient to the training gradient. In a setting where gradients come from mini-batches, we explain how, using a moving average of the training loss gradients, we can carefully maintain this critical orthogonality property. We demonstrate that our method, Bloop, can lead to much better performances on NLP and vision experiments than other gradient surgery methods without EMA.

The blooming of social media and face recognition (FR) systems has increased people's concern about privacy and security. A new type of adversarial privacy cloak (class-universal) can be applied to all the images of regular users, to prevent malicious FR systems from acquiring their identity information. In this work, we discover the optimization dilemma in the existing methods -- the local optima problem in large-batch optimization and the gradient information elimination problem in small-batch optimization. To solve these problems, we propose Gradient Accumulation (GA) to aggregate multiple small-batch gradients into a one-step iterative gradient to enhance the gradient stability and reduce the usage of quantization operations. Experiments show that our proposed method achieves high performance on the Privacy-Commons dataset against black-box face recognition models.

Training deep neural networks--and more recently, large models--demands efficient and scalable optimizers. Adaptive gradient algorithms like Adam, AdamW, and their variants have been central to this task. Despite the development of numerous variance reduction algorithms in the past decade aimed at accelerating stochastic optimization in both convex and nonconvex settings, variance reduction has not found widespread success in training deep neural networks or large language models. Consequently, it has remained a less favored approach in modern AI. In this paper, to unleash the power of variance reduction for efficient training of large models, we propose a unified optimization framework, MARS (Make vAriance Reduction Shine), which reconciles preconditioned gradient methods with variance reduction via a scaled stochastic recursive momentum technique. Within our framework, we introduce three instances of MARS that leverage preconditioned gradient updates based on AdamW, Lion, and Shampoo, respectively. We also draw a connection between our algorithms and existing optimizers. Experimental results on training GPT-2 models indicate that MARS consistently outperforms AdamW by a large margin.

Second-order training methods have better convergence properties than gradient descent but are rarely used in practice for large-scale training due to their computational overhead. This can be viewed as a hardware limitation (imposed by digital computers). Here we show that natural gradient descent (NGD), a second-order method, can have a similar computational complexity per iteration to a first-order method, when employing appropriate hardware. We present a new hybrid digital-analog algorithm for training neural networks that is equivalent to NGD in a certain parameter regime but avoids prohibitively costly linear system solves. Our algorithm exploits the thermodynamic properties of an analog system at equilibrium, and hence requires an analog thermodynamic computer. The training occurs in a hybrid digital-analog loop, where the gradient and Fisher information matrix (or any other positive semi-definite curvature matrix) are calculated at given time intervals while the analog dynamics take place. We numerically demonstrate the superiority of this approach over state-of-the-art digital first- and second-order training methods on classification tasks and language model fine-tuning tasks.

Out-of-distribution (OOD) generalization is a critical ability for deep learning models in many real-world scenarios including healthcare and autonomous vehicles. Recently, different techniques have been proposed to improve OOD generalization. Among these methods, gradient-based regularizers have shown promising performance compared with other competitors. Despite this success, our understanding of the role of Hessian and gradient alignment in domain generalization is still limited. To address this shortcoming, we analyze the role of the classifier's head Hessian matrix and gradient in domain generalization using recent OOD theory of transferability. Theoretically, we show that spectral norm between the classifier's head Hessian matrices across domains is an upper bound of the transfer measure, a notion of distance between target and source domains. Furthermore, we analyze all the attributes that get aligned when we encourage similarity between Hessians and gradients. Our analysis explains the success of many regularizers like CORAL, IRM, V-REx, Fish, IGA, and Fishr as they regularize part of the classifier's head Hessian and/or gradient. Finally, we propose two simple yet effective methods to match the classifier's head Hessians and gradients in an efficient way, based on the Hessian Gradient Product (HGP) and Hutchinson's method (Hutchinson), and without directly calculating Hessians. We validate the OOD generalization ability of proposed methods in different scenarios, including transferability, severe correlation shift, label shift and diversity shift. Our results show that Hessian alignment methods achieve promising performance on various OOD benchmarks. The code is available at https://github.com/huawei-noah/Federated-Learning/tree/main/HessianAlignment.

We present AI-SARAH, a practical variant of SARAH. As a variant of SARAH, this algorithm employs the stochastic recursive gradient yet adjusts step-size based on local geometry. AI-SARAH implicitly computes step-size and efficiently estimates local Lipschitz smoothness of stochastic functions. It is fully adaptive, tune-free, straightforward to implement, and computationally efficient. We provide technical insight and intuitive illustrations on its design and convergence. We conduct extensive empirical analysis and demonstrate its strong performance compared with its classical counterparts and other state-of-the-art first-order methods in solving convex machine learning problems.

We introduce Gradient Descent with Adaptive Momentum Scaling (Grams), a novel optimization algorithm that decouples the direction and magnitude of parameter updates in deep learning. Unlike traditional optimizers that directly integrate momentum into updates, Grams separates the update direction, derived from current gradients, from momentum, which is used solely for adaptive magnitude scaling. This approach enables Grams to achieve improved loss descent compared to state-of-the-art cautious and momentum-based optimizers. We establish a global convergence guarantee for Grams and validate its effectiveness through extensive empirical evaluations. The results demonstrate Grams' superior performance, including faster convergence and better generalization, compared to widely-used optimizers such as Adam, Lion, and their cautious variants. Our results highlight Grams' potential as a transformative approach for efficient optimization in large-scale machine learning.

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, is simpler to implement. It solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.

Contrastive learning (CL) continuously achieves significant breakthroughs across multiple domains. However, the most common InfoNCE-based methods suffer from some dilemmas, such as uniformity-tolerance dilemma (UTD) and gradient reduction, both of which are related to a P_{ij} term. It has been identified that UTD can lead to unexpected performance degradation. We argue that the fixity of temperature is to blame for UTD. To tackle this challenge, we enrich the CL loss family by presenting a Model-Aware Contrastive Learning (MACL) strategy, whose temperature is adaptive to the magnitude of alignment that reflects the basic confidence of the instance discrimination task, then enables CL loss to adjust the penalty strength for hard negatives adaptively. Regarding another dilemma, the gradient reduction issue, we derive the limits of an involved gradient scaling factor, which allows us to explain from a unified perspective why some recent approaches are effective with fewer negative samples, and summarily present a gradient reweighting to escape this dilemma. Extensive remarkable empirical results in vision, sentence, and graph modality validate our approach's general improvement for representation learning and downstream tasks.

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, flat minima are proven to be effective for improving generalization and sharpness-aware minimization (SAM) achieves state-of-the-art performance. Yet the current definition of flatness discussed in SAM and its follow-ups are limited to the zeroth-order flatness (i.e., the worst-case loss within a perturbation radius). We show that the zeroth-order flatness can be insufficient to discriminate minima with low generalization error from those with high generalization error both when there is a single minimum or multiple minima within the given perturbation radius. Thus we present first-order flatness, a stronger measure of flatness focusing on the maximal gradient norm within a perturbation radius which bounds both the maximal eigenvalue of Hessian at local minima and the regularization function of SAM. We also present a novel training procedure named Gradient norm Aware Minimization (GAM) to seek minima with uniformly small curvature across all directions. Experimental results show that GAM improves the generalization of models trained with current optimizers such as SGD and AdamW on various datasets and networks. Furthermore, we show that GAM can help SAM find flatter minima and achieve better generalization.

Sparse training is emerging as a promising avenue for reducing the computational cost of training neural networks. Several recent studies have proposed pruning methods using learnable thresholds to efficiently explore the non-uniform distribution of sparsity inherent within the models. In this paper, we propose Gradient Annealing (GA), where gradients of masked weights are scaled down in a non-linear manner. GA provides an elegant trade-off between sparsity and accuracy without the need for additional sparsity-inducing regularization. We integrated GA with the latest learnable pruning methods to create an automated sparse training algorithm called AutoSparse, which achieves better accuracy and/or training/inference FLOPS reduction than existing learnable pruning methods for sparse ResNet50 and MobileNetV1 on ImageNet-1K: AutoSparse achieves (2x, 7x) reduction in (training,inference) FLOPS for ResNet50 on ImageNet at 80% sparsity. Finally, AutoSparse outperforms sparse-to-sparse SotA method MEST (uniform sparsity) for 80% sparse ResNet50 with similar accuracy, where MEST uses 12% more training FLOPS and 50% more inference FLOPS.

Recent work has shown that the training of a one-hidden-layer, scalar-output fully-connected ReLU neural network can be reformulated as a finite-dimensional convex program. Unfortunately, the scale of such a convex program grows exponentially in data size. In this work, we prove that a stochastic procedure with a linear complexity well approximates the exact formulation. Moreover, we derive a convex optimization approach to efficiently solve the "adversarial training" problem, which trains neural networks that are robust to adversarial input perturbations. Our method can be applied to binary classification and regression, and provides an alternative to the current adversarial training methods, such as Fast Gradient Sign Method (FGSM) and Projected Gradient Descent (PGD). We demonstrate in experiments that the proposed method achieves a noticeably better adversarial robustness and performance than the existing methods.

Several recently proposed stochastic optimization methods that have been successfully used in training deep networks such as RMSProp, Adam, Adadelta, Nadam are based on using gradient updates scaled by square roots of exponential moving averages of squared past gradients. In many applications, e.g. learning with large output spaces, it has been empirically observed that these algorithms fail to converge to an optimal solution (or a critical point in nonconvex settings). We show that one cause for such failures is the exponential moving average used in the algorithms. We provide an explicit example of a simple convex optimization setting where Adam does not converge to the optimal solution, and describe the precise problems with the previous analysis of Adam algorithm. Our analysis suggests that the convergence issues can be fixed by endowing such algorithms with `long-term memory' of past gradients, and propose new variants of the Adam algorithm which not only fix the convergence issues but often also lead to improved empirical performance.

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.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

In this paper, we describe a phenomenon, which we named "super-convergence", where neural networks can be trained an order of magnitude faster than with standard training methods. The existence of super-convergence is relevant to understanding why deep networks generalize well. One of the key elements of super-convergence is training with one learning rate cycle and a large maximum learning rate. A primary insight that allows super-convergence training is that large learning rates regularize the training, hence requiring a reduction of all other forms of regularization in order to preserve an optimal regularization balance. We also derive a simplification of the Hessian Free optimization method to compute an estimate of the optimal learning rate. Experiments demonstrate super-convergence for Cifar-10/100, MNIST and Imagenet datasets, and resnet, wide-resnet, densenet, and inception architectures. In addition, we show that super-convergence provides a greater boost in performance relative to standard training when the amount of labeled training data is limited. The architectures and code to replicate the figures in this paper are available at github.com/lnsmith54/super-convergence. See http://www.fast.ai/2018/04/30/dawnbench-fastai/ for an application of super-convergence to win the DAWNBench challenge (see https://dawn.cs.stanford.edu/benchmark/).

This is a handbook of simple proofs of the convergence of gradient and stochastic gradient descent type methods. We consider functions that are Lipschitz, smooth, convex, strongly convex, and/or Polyak-{\L}ojasiewicz functions. Our focus is on ``good proofs'' that are also simple. Each section can be consulted separately. We start with proofs of gradient descent, then on stochastic variants, including minibatching and momentum. Then move on to nonsmooth problems with the subgradient method, the proximal gradient descent and their stochastic variants. Our focus is on global convergence rates and complexity rates. Some slightly less common proofs found here include that of SGD (Stochastic gradient descent) with a proximal step, with momentum, and with mini-batching without replacement.

Gradient clipping is a popular modification to standard (stochastic) gradient descent, at every iteration limiting the gradient norm to a certain value c >0. It is widely used for example for stabilizing the training of deep learning models (Goodfellow et al., 2016), or for enforcing differential privacy (Abadi et al., 2016). Despite popularity and simplicity of the clipping mechanism, its convergence guarantees often require specific values of c and strong noise assumptions. In this paper, we give convergence guarantees that show precise dependence on arbitrary clipping thresholds c and show that our guarantees are tight with both deterministic and stochastic gradients. In particular, we show that (i) for deterministic gradient descent, the clipping threshold only affects the higher-order terms of convergence, (ii) in the stochastic setting convergence to the true optimum cannot be guaranteed under the standard noise assumption, even under arbitrary small step-sizes. We give matching upper and lower bounds for convergence of the gradient norm when running clipped SGD, and illustrate these results with experiments.

This paper introduces FUNGI, Features from UNsupervised GradIents, a method to enhance the features of transformer encoders by leveraging self-supervised gradients. Our method is simple: given any pretrained model, we first compute gradients from various self-supervised objectives for each input. These gradients are projected to a lower dimension and then concatenated with the model's output embedding. The resulting features are evaluated on k-nearest neighbor classification over 11 datasets from vision, 5 from natural language processing, and 2 from audio. Across backbones spanning various sizes and pretraining strategies, FUNGI features provide consistent performance improvements over the embeddings. We also show that using FUNGI features can benefit linear classification, clustering and image retrieval, and that they significantly improve the retrieval-based in-context scene understanding abilities of pretrained models, for example improving upon DINO by +17% for semantic segmentation - without any training.

While backpropagation (BP) is the mainstream approach for gradient computation in neural network training, its heavy reliance on the chain rule of differentiation constrains the designing flexibility of network architecture and training pipelines. We avoid the recursive computation in BP and develop a unified likelihood ratio (ULR) method for gradient estimation with just one forward propagation. Not only can ULR be extended to train a wide variety of neural network architectures, but the computation flow in BP can also be rearranged by ULR for better device adaptation. Moreover, we propose several variance reduction techniques to further accelerate the training process. Our experiments offer numerical results across diverse aspects, including various neural network training scenarios, computation flow rearrangement, and fine-tuning of pre-trained models. All findings demonstrate that ULR effectively enhances the flexibility of neural network training by permitting localized module training without compromising the global objective and significantly boosts the network robustness.

In "Backprop as functor", the authors show that the fundamental elements of deep learning -- gradient descent and backpropagation -- can be conceptualized as a strong monoidal functor Para(Euc)toLearn from the category of parameterized Euclidean spaces to that of learners, a category developed explicitly to capture parameter update and backpropagation. It was soon realized that there is an isomorphism LearncongPara(Slens), where Slens is the symmetric monoidal category of simple lenses as used in functional programming. In this note, we observe that Slens is a full subcategory of Poly, the category of polynomial functors in one variable, via the functor Amapsto Ay^A. Using the fact that (Poly,otimes) is monoidal closed, we show that a map Ato B in Para(Slens) has a natural interpretation in terms of dynamical systems (more precisely, generalized Moore machines) whose interface is the internal-hom type [Ay^A,By^B]. Finally, we review the fact that the category p-Coalg of dynamical systems on any p in Poly forms a topos, and consider the logical propositions that can be stated in its internal language. We give gradient descent as an example, and we conclude by discussing some directions for future work.

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.

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

This paper addresses the visualisation of image classification models, learnt using deep Convolutional Networks (ConvNets). We consider two visualisation techniques, based on computing the gradient of the class score with respect to the input image. The first one generates an image, which maximises the class score [Erhan et al., 2009], thus visualising the notion of the class, captured by a ConvNet. The second technique computes a class saliency map, specific to a given image and class. We show that such maps can be employed for weakly supervised object segmentation using classification ConvNets. Finally, we establish the connection between the gradient-based ConvNet visualisation methods and deconvolutional networks [Zeiler et al., 2013].

We study the effect of mini-batching on the loss landscape of deep neural networks using spiked, field-dependent random matrix theory. We demonstrate that the magnitude of the extremal values of the batch Hessian are larger than those of the empirical Hessian. We also derive similar results for the Generalised Gauss-Newton matrix approximation of the Hessian. As a consequence of our theorems we derive an analytical expressions for the maximal learning rates as a function of batch size, informing practical training regimens for both stochastic gradient descent (linear scaling) and adaptive algorithms, such as Adam (square root scaling), for smooth, non-convex deep neural networks. Whilst the linear scaling for stochastic gradient descent has been derived under more restrictive conditions, which we generalise, the square root scaling rule for adaptive optimisers is, to our knowledge, completely novel. %For stochastic second-order methods and adaptive methods, we derive that the minimal damping coefficient is proportional to the ratio of the learning rate to batch size. We validate our claims on the VGG/WideResNet architectures on the CIFAR-100 and ImageNet datasets. Based on our investigations of the sub-sampled Hessian we develop a stochastic Lanczos quadrature based on the fly learning rate and momentum learner, which avoids the need for expensive multiple evaluations for these key hyper-parameters and shows good preliminary results on the Pre-Residual Architecure for CIFAR-100.

Gradient descent optimization algorithms, while increasingly popular, are often used as black-box optimizers, as practical explanations of their strengths and weaknesses are hard to come by. This article aims to provide the reader with intuitions with regard to the behaviour of different algorithms that will allow her to put them to use. In the course of this overview, we look at different variants of gradient descent, summarize challenges, introduce the most common optimization algorithms, review architectures in a parallel and distributed setting, and investigate additional strategies for optimizing gradient descent.

We propose a tuning-free dynamic SGD step size formula, which we call Distance over Gradients (DoG). The DoG step sizes depend on simple empirical quantities (distance from the initial point and norms of gradients) and have no ``learning rate'' parameter. Theoretically, we show that a slight variation of the DoG formula enjoys strong parameter-free convergence guarantees for stochastic convex optimization assuming only locally bounded stochastic gradients. Empirically, we consider a broad range of vision and language transfer learning tasks, and show that DoG's performance is close to that of SGD with tuned learning rate. We also propose a per-layer variant of DoG that generally outperforms tuned SGD, approaching the performance of tuned Adam. A PyTorch implementation is available at https://github.com/formll/dog

We derive a simple and model-independent formula for the change in the generalization gap due to a gradient descent update. We then compare the change in the test error for stochastic gradient descent to the change in test error from an equivalent number of gradient descent updates and show explicitly that stochastic gradient descent acts to regularize generalization error by decorrelating nearby updates. These calculations depends on the details of the model only through the mean and covariance of the gradient distribution, which may be readily measured for particular models of interest. We discuss further improvements to these calculations and comment on possible implications for stochastic optimization.

We introduce SinGAN, an unconditional generative model that can be learned from a single natural image. Our model is trained to capture the internal distribution of patches within the image, and is then able to generate high quality, diverse samples that carry the same visual content as the image. SinGAN contains a pyramid of fully convolutional GANs, each responsible for learning the patch distribution at a different scale of the image. This allows generating new samples of arbitrary size and aspect ratio, that have significant variability, yet maintain both the global structure and the fine textures of the training image. In contrast to previous single image GAN schemes, our approach is not limited to texture images, and is not conditional (i.e. it generates samples from noise). User studies confirm that the generated samples are commonly confused to be real images. We illustrate the utility of SinGAN in a wide range of image manipulation tasks.

Training neural networks involves solving large-scale non-convex optimization problems. This task has long been believed to be extremely difficult, with fear of local minima and other obstacles motivating a variety of schemes to improve optimization, such as unsupervised pretraining. However, modern neural networks are able to achieve negligible training error on complex tasks, using only direct training with stochastic gradient descent. We introduce a simple analysis technique to look for evidence that such networks are overcoming local optima. We find that, in fact, on a straight path from initialization to solution, a variety of state of the art neural networks never encounter any significant obstacles.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

We study the gradients of a maxout network with respect to inputs and parameters and obtain bounds for the moments depending on the architecture and the parameter distribution. We observe that the distribution of the input-output Jacobian depends on the input, which complicates a stable parameter initialization. Based on the moments of the gradients, we formulate parameter initialization strategies that avoid vanishing and exploding gradients in wide networks. Experiments with deep fully-connected and convolutional networks show that this strategy improves SGD and Adam training of deep maxout networks. In addition, we obtain refined bounds on the expected number of linear regions, results on the expected curve length distortion, and results on the NTK.

Recent research shows that when Gradient Descent (GD) is applied to neural networks, the loss almost never decreases monotonically. Instead, the loss oscillates as gradient descent converges to its ''Edge of Stability'' (EoS). Here, we find a quantity that does decrease monotonically throughout GD training: the sharpness attained by the gradient flow solution (GFS)-the solution that would be obtained if, from now until convergence, we train with an infinitesimal step size. Theoretically, we analyze scalar neural networks with the squared loss, perhaps the simplest setting where the EoS phenomena still occur. In this model, we prove that the GFS sharpness decreases monotonically. Using this result, we characterize settings where GD provably converges to the EoS in scalar networks. Empirically, we show that GD monotonically decreases the GFS sharpness in a squared regression model as well as practical neural network architectures.

We tackle the problem of image inpainting in the remote sensing domain. Remote sensing images possess high resolution and geographical variations, that render the conventional inpainting methods less effective. This further entails the requirement of models with high complexity to sufficiently capture the spectral, spatial and textural nuances within an image, emerging from its high spatial variability. To this end, we propose a novel inpainting method that individually focuses on each aspect of an image such as edges, colour and texture using a task specific GAN. Moreover, each individual GAN also incorporates the attention mechanism that explicitly extracts the spectral and spatial features. To ensure consistent gradient flow, the model uses residual learning paradigm, thus simultaneously working with high and low level features. We evaluate our model, alongwith previous state of the art models, on the two well known remote sensing datasets, Open Cities AI and Earth on Canvas, and achieve competitive performance.

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Various optimal gradient-based algorithms have been developed for smooth nonconvex optimization. However, many nonconvex machine learning problems do not belong to the class of smooth functions and therefore the existing algorithms are sub-optimal. Instead, these problems have been shown to satisfy certain generalized-smooth conditions, which have not been well understood in the existing literature. In this paper, we propose a notion of alpha-symmetric generalized-smoothness that extends the existing notions and covers many important functions such as high-order polynomials and exponential functions. We study the fundamental properties and establish descent lemmas for the functions in this class. Then, to solve such a large class of nonconvex problems, we design a special deterministic normalized gradient descent algorithm that achieves the optimal iteration complexity O(epsilon^{-2}), and also prove that the popular SPIDER variance reduction algorithm achieves the optimal sample complexity O(epsilon^{-3}) in the stochastic setting. Our results show that solving generalized-smooth nonconvex problems is as efficient as solving smooth nonconvex problems.

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 prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and L_2 loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables analytical construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as CoGO (Composing Global Optimizers). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of monomial potentials, which are ring homomorphism, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around 95% of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global optimizers constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that over-parameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global optimizers such as perfect memorization are unfavorable.

Continual learning with an increasing number of classes is a challenging task. The difficulty rises when each example is presented exactly once, which requires the model to learn online. Recent methods with classic parameter optimization procedures have been shown to struggle in such setups or have limitations like non-differentiable components or memory buffers. For this reason, we present the fully differentiable ensemble method that allows us to efficiently train an ensemble of neural networks in the end-to-end regime. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods. The conducted experiments have also shown a significant increase in the performance for small ensembles, which demonstrates the capability of obtaining relatively high classification accuracy with a reduced number of classifiers.

Deep learning has revolutionized the computer vision and image classification domains. In this context Convolutional Neural Networks (CNNs) based architectures are the most widely applied models. In this article, we introduced two procedures for training Convolutional Neural Networks (CNNs) and Deep Neural Network based on Gradient Boosting (GB), namely GB-CNN and GB-DNN. These models are trained to fit the gradient of the loss function or pseudo-residuals of previous models. At each iteration, the proposed method adds one dense layer to an exact copy of the previous deep NN model. The weights of the dense layers trained on previous iterations are frozen to prevent over-fitting, permitting the model to fit the new dense as well as to fine-tune the convolutional layers (for GB-CNN) while still utilizing the information already learned. Through extensive experimentation on different 2D-image classification and tabular datasets, the presented models show superior performance in terms of classification accuracy with respect to standard CNN and Deep-NN with the same architectures.

Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, recent approaches distill a multi-step diffusion model into a single-step student generator via variational score distillation, which matches the distribution of samples generated by the student to the teacher's distribution. However, these approaches use the reverse Kullback-Leibler (KL) divergence for distribution matching which is known to be mode seeking. In this paper, we generalize the distribution matching approach using a novel f-divergence minimization framework, termed f-distill, that covers different divergences with different trade-offs in terms of mode coverage and training variance. We derive the gradient of the f-divergence between the teacher and student distributions and show that it is expressed as the product of their score differences and a weighting function determined by their density ratio. This weighting function naturally emphasizes samples with higher density in the teacher distribution, when using a less mode-seeking divergence. We observe that the popular variational score distillation approach using the reverse-KL divergence is a special case within our framework. Empirically, we demonstrate that alternative f-divergences, such as forward-KL and Jensen-Shannon divergences, outperform the current best variational score distillation methods across image generation tasks. In particular, when using Jensen-Shannon divergence, f-distill achieves current state-of-the-art one-step generation performance on ImageNet64 and zero-shot text-to-image generation on MS-COCO. Project page: https://research.nvidia.com/labs/genair/f-distill

The massive interest in deep neural networks (DNNs) for both computer vision and natural language processing has been sparked by the growth in computational power. However, this led to an increase in the memory footprint, to a point where it can be challenging to simply load a model on commodity devices such as mobile phones. To address this limitation, quantization is a favored solution as it maps high precision tensors to a low precision, memory efficient format. In terms of memory footprint reduction, its most effective variants are based on codebooks. These methods, however, suffer from two limitations. First, they either define a single codebook for each tensor, or use a memory-expensive mapping to multiple codebooks. Second, gradient descent optimization of the mapping favors jumps toward extreme values, hence not defining a proximal search. In this work, we propose to address these two limitations. First, we initially group similarly distributed neurons and leverage the re-ordered structure to either apply different scale factors to the different groups, or map weights that fall in these groups to several codebooks, without any mapping overhead. Second, stemming from this initialization, we propose a joint learning of the codebook and weight mappings that bears similarities with recent gradient-based post-training quantization techniques. Third, drawing estimation from straight-through estimation techniques, we introduce a novel gradient update definition to enable a proximal search of the codebooks and their mappings. The proposed jointly learnable codebooks and mappings (JLCM) method allows a very efficient approximation of any DNN: as such, a Llama 7B can be compressed down to 2Go and loaded on 5-year-old smartphones.

In Federated Learning (FL) and many other distributed training frameworks, collaborators can hold their private data locally and only share the network weights trained with the local data after multiple iterations. Gradient inversion is a family of privacy attacks that recovers data from its generated gradients. Seemingly, FL can provide a degree of protection against gradient inversion attacks on weight updates, since the gradient of a single step is concealed by the accumulation of gradients over multiple local iterations. In this work, we propose a principled way to extend gradient inversion attacks to weight updates in FL, thereby better exposing weaknesses in the presumed privacy protection inherent in FL. In particular, we propose a surrogate model method based on the characteristic of two-dimensional gradient flow and low-rank property of local updates. Our method largely boosts the ability of gradient inversion attacks on weight updates containing many iterations and achieves state-of-the-art (SOTA) performance. Additionally, our method runs up to 100times faster than the SOTA baseline in the common FL scenario. Our work re-evaluates and highlights the privacy risk of sharing network weights. Our code is available at https://github.com/JunyiZhu-AI/surrogate_model_extension.

This work examines the challenges of training neural networks using vector quantization using straight-through estimation. We find that a primary cause of training instability is the discrepancy between the model embedding and the code-vector distribution. We identify the factors that contribute to this issue, including the codebook gradient sparsity and the asymmetric nature of the commitment loss, which leads to misaligned code-vector assignments. We propose to address this issue via affine re-parameterization of the code vectors. Additionally, we introduce an alternating optimization to reduce the gradient error introduced by the straight-through estimation. Moreover, we propose an improvement to the commitment loss to ensure better alignment between the codebook representation and the model embedding. These optimization methods improve the mathematical approximation of the straight-through estimation and, ultimately, the model performance. We demonstrate the effectiveness of our methods on several common model architectures, such as AlexNet, ResNet, and ViT, across various tasks, including image classification and generative modeling.

Maximum mean discrepancy (MMD) flows suffer from high computational costs in large scale computations. In this paper, we show that MMD flows with Riesz kernels K(x,y) = - |x-y|^r, r in (0,2) have exceptional properties which allow their efficient computation. We prove that the MMD of Riesz kernels, which is also known as energy distance, coincides with the MMD of their sliced version. As a consequence, the computation of gradients of MMDs can be performed in the one-dimensional setting. Here, for r=1, a simple sorting algorithm can be applied to reduce the complexity from O(MN+N^2) to O((M+N)log(M+N)) for two measures with M and N support points. As another interesting follow-up result, the MMD of compactly supported measures can be estimated from above and below by the Wasserstein-1 distance. For the implementations we approximate the gradient of the sliced MMD by using only a finite number P of slices. We show that the resulting error has complexity O(d/P), where d is the data dimension. These results enable us to train generative models by approximating MMD gradient flows by neural networks even for image applications. We demonstrate the efficiency of our model by image generation on MNIST, FashionMNIST and CIFAR10.

Classifier guidance -- using the gradients of an image classifier to steer the generations of a diffusion model -- has the potential to dramatically expand the creative control over image generation and editing. However, currently classifier guidance requires either training new noise-aware models to obtain accurate gradients or using a one-step denoising approximation of the final generation, which leads to misaligned gradients and sub-optimal control. We highlight this approximation's shortcomings and propose a novel guidance method: Direct Optimization of Diffusion Latents (DOODL), which enables plug-and-play guidance by optimizing diffusion latents w.r.t. the gradients of a pre-trained classifier on the true generated pixels, using an invertible diffusion process to achieve memory-efficient backpropagation. Showcasing the potential of more precise guidance, DOODL outperforms one-step classifier guidance on computational and human evaluation metrics across different forms of guidance: using CLIP guidance to improve generations of complex prompts from DrawBench, using fine-grained visual classifiers to expand the vocabulary of Stable Diffusion, enabling image-conditioned generation with a CLIP visual encoder, and improving image aesthetics using an aesthetic scoring network. Code at https://github.com/salesforce/DOODL.

To have a better understanding and usage of Convolution Neural Networks (CNNs), the visualization and interpretation of CNNs has attracted increasing attention in recent years. In particular, several Class Activation Mapping (CAM) methods have been proposed to discover the connection between CNN's decision and image regions. In spite of the reasonable visualization, lack of clear and sufficient theoretical support is the main limitation of these methods. In this paper, we introduce two axioms -- Conservation and Sensitivity -- to the visualization paradigm of the CAM methods. Meanwhile, a dedicated Axiom-based Grad-CAM (XGrad-CAM) is proposed to satisfy these axioms as much as possible. Experiments demonstrate that XGrad-CAM is an enhanced version of Grad-CAM in terms of conservation and sensitivity. It is able to achieve better visualization performance than Grad-CAM, while also be class-discriminative and easy-to-implement compared with Grad-CAM++ and Ablation-CAM. The code is available at https://github.com/Fu0511/XGrad-CAM.

Despite the remarkable success of deep neural networks in a myriad of settings, several works have demonstrated their overwhelming sensitivity to near-imperceptible perturbations, known as adversarial attacks. On the other hand, prior works have also observed that deep networks can be under-sensitive, wherein large-magnitude perturbations in input space do not induce appreciable changes to network activations. In this work, we study in detail the phenomenon of under-sensitivity in vision models such as CNNs and Transformers, and present techniques to study the geometry and extent of "equi-confidence" level sets of such networks. We propose a Level Set Traversal algorithm that iteratively explores regions of high confidence with respect to the input space using orthogonal components of the local gradients. Given a source image, we use this algorithm to identify inputs that lie in the same equi-confidence level set as the source image despite being perceptually similar to arbitrary images from other classes. We further observe that the source image is linearly connected by a high-confidence path to these inputs, uncovering a star-like structure for level sets of deep networks. Furthermore, we attempt to identify and estimate the extent of these connected higher-dimensional regions over which the model maintains a high degree of confidence. The code for this project is publicly available at https://github.com/SriramB-98/blindspots-neurips-sub

Deep multitask networks, in which one neural network produces multiple predictive outputs, can offer better speed and performance than their single-task counterparts but are challenging to train properly. We present a gradient normalization (GradNorm) algorithm that automatically balances training in deep multitask models by dynamically tuning gradient magnitudes. We show that for various network architectures, for both regression and classification tasks, and on both synthetic and real datasets, GradNorm improves accuracy and reduces overfitting across multiple tasks when compared to single-task networks, static baselines, and other adaptive multitask loss balancing techniques. GradNorm also matches or surpasses the performance of exhaustive grid search methods, despite only involving a single asymmetry hyperparameter alpha. Thus, what was once a tedious search process that incurred exponentially more compute for each task added can now be accomplished within a few training runs, irrespective of the number of tasks. Ultimately, we will demonstrate that gradient manipulation affords us great control over the training dynamics of multitask networks and may be one of the keys to unlocking the potential of multitask learning.

Classifier-free guidance (CFG) is crucial for improving both generation quality and alignment between the input condition and final output in diffusion models. While a high guidance scale is generally required to enhance these aspects, it also causes oversaturation and unrealistic artifacts. In this paper, we revisit the CFG update rule and introduce modifications to address this issue. We first decompose the update term in CFG into parallel and orthogonal components with respect to the conditional model prediction and observe that the parallel component primarily causes oversaturation, while the orthogonal component enhances image quality. Accordingly, we propose down-weighting the parallel component to achieve high-quality generations without oversaturation. Additionally, we draw a connection between CFG and gradient ascent and introduce a new rescaling and momentum method for the CFG update rule based on this insight. Our approach, termed adaptive projected guidance (APG), retains the quality-boosting advantages of CFG while enabling the use of higher guidance scales without oversaturation. APG is easy to implement and introduces practically no additional computational overhead to the sampling process. Through extensive experiments, we demonstrate that APG is compatible with various conditional diffusion models and samplers, leading to improved FID, recall, and saturation scores while maintaining precision comparable to CFG, making our method a superior plug-and-play alternative to standard classifier-free guidance.

Deep neural networks have been demonstrated to achieve phenomenal success in many domains, and yet their inner mechanisms are not well understood. In this paper, we investigate the curvature of image manifolds, i.e., the manifold deviation from being flat in its principal directions. We find that state-of-the-art trained convolutional neural networks for image classification have a characteristic curvature profile along layers: an initial steep increase, followed by a long phase of a plateau, and followed by another increase. In contrast, this behavior does not appear in untrained networks in which the curvature flattens. We also show that the curvature gap between the last two layers has a strong correlation with the generalization capability of the network. Moreover, we find that the intrinsic dimension of latent codes is not necessarily indicative of curvature. Finally, we observe that common regularization methods such as mixup yield flatter representations when compared to other methods. Our experiments show consistent results over a variety of deep learning architectures and multiple data sets. Our code is publicly available at https://github.com/azencot-group/CRLM

In this paper, we propose a new measure to gauge the complexity of image classification problems. Given an annotated image dataset, our method computes a complexity measure called the cumulative spectral gradient (CSG) which strongly correlates with the test accuracy of convolutional neural networks (CNN). The CSG measure is derived from the probabilistic divergence between classes in a spectral clustering framework. We show that this metric correlates with the overall separability of the dataset and thus its inherent complexity. As will be shown, our metric can be used for dataset reduction, to assess which classes are more difficult to disentangle, and approximate the accuracy one could expect to get with a CNN. Results obtained on 11 datasets and three CNN models reveal that our method is more accurate and faster than previous complexity measures.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

The generalization capability of deep neural networks has been substantially improved by applying a wide spectrum of regularization methods, e.g., restricting function space, injecting randomness during training, augmenting data, etc. In this work, we propose a simple yet effective regularization method named progressive self-knowledge distillation (PS-KD), which progressively distills a model's own knowledge to soften hard targets (i.e., one-hot vectors) during training. Hence, it can be interpreted within a framework of knowledge distillation as a student becomes a teacher itself. Specifically, targets are adjusted adaptively by combining the ground-truth and past predictions from the model itself. We show that PS-KD provides an effect of hard example mining by rescaling gradients according to difficulty in classifying examples. The proposed method is applicable to any supervised learning tasks with hard targets and can be easily combined with existing regularization methods to further enhance the generalization performance. Furthermore, it is confirmed that PS-KD achieves not only better accuracy, but also provides high quality of confidence estimates in terms of calibration as well as ordinal ranking. Extensive experimental results on three different tasks, image classification, object detection, and machine translation, demonstrate that our method consistently improves the performance of the state-of-the-art baselines. The code is available at https://github.com/lgcnsai/PS-KD-Pytorch.

Transformers are remarkably good at in-context learning (ICL) -- learning from demonstrations without parameter updates -- but how they perform ICL remains a mystery. Recent work suggests that Transformers may learn in-context by internally running Gradient Descent, a first-order optimization method. In this paper, we instead demonstrate that Transformers learn to implement higher-order optimization methods to perform ICL. Focusing on in-context linear regression, we show that Transformers learn to implement an algorithm very similar to Iterative Newton's Method, a higher-order optimization method, rather than Gradient Descent. Empirically, we show that predictions from successive Transformer layers closely match different iterations of Newton's Method linearly, with each middle layer roughly computing 3 iterations. In contrast, exponentially more Gradient Descent steps are needed to match an additional Transformers layer; this suggests that Transformers have an comparable rate of convergence with high-order methods such as Iterative Newton, which are exponentially faster than Gradient Descent. We also show that Transformers can learn in-context on ill-conditioned data, a setting where Gradient Descent struggles but Iterative Newton succeeds. Finally, we show theoretical results which support our empirical findings and have a close correspondence with them: we prove that Transformers can implement k iterations of Newton's method with O(k) layers.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

Training a large-scale deep neural network in a large-scale dataset is challenging and time-consuming. The recent breakthrough of large-batch optimization is a promising way to tackle this challenge. However, although the current advanced algorithms such as LARS and LAMB succeed in classification models, the complicated pipelines of dense visual predictions such as object detection and segmentation still suffer from the heavy performance drop in the large-batch training regime. To address this challenge, we propose a simple yet effective algorithm, named Adaptive Gradient Variance Modulator (AGVM), which can train dense visual predictors with very large batch size, enabling several benefits more appealing than prior arts. Firstly, AGVM can align the gradient variances between different modules in the dense visual predictors, such as backbone, feature pyramid network (FPN), detection, and segmentation heads. We show that training with a large batch size can fail with the gradient variances misaligned among them, which is a phenomenon primarily overlooked in previous work. Secondly, AGVM is a plug-and-play module that generalizes well to many different architectures (e.g., CNNs and Transformers) and different tasks (e.g., object detection, instance segmentation, semantic segmentation, and panoptic segmentation). It is also compatible with different optimizers (e.g., SGD and AdamW). Thirdly, a theoretical analysis of AGVM is provided. Extensive experiments on the COCO and ADE20K datasets demonstrate the superiority of AGVM. For example, it can train Faster R-CNN+ResNet50 in 4 minutes without losing performance. AGVM enables training an object detector with one billion parameters in just 3.5 hours, reducing the training time by 20.9x, whilst achieving 62.2 mAP on COCO. The deliverables are released at https://github.com/Sense-X/AGVM.

Reverse-mode differentiation is used for optimization, but it introduces references, which break the purity of the underlying programs, making them notoriously harder to optimize. We present a reverse-mode differentiation on a purely functional language with array operations. It is the first one to deliver a provably efficient, purely functional, and denotationally correct reverse-mode differentiation. We show that our transformation is semantically correct and verifies the cheap gradient principle. Inspired by PROPs and compilation to categories, we introduce a novel intermediate representation that we call 'unary form'. Our reverse-mode transformation is factored as a compilation scheme through this intermediate representation. We obtain provably efficient gradients by performing general partial evaluation optimizations after our reverse-mode transformation, as opposed to manually derived ones. For simple first-order programs, the obtained output programs resemble static-single-assignment (SSA) code. We emphasize the modularity of our approach and show how our language can easily be enriched with more optimized primitives, as required for some speed-ups in practice.

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

Bilevel optimization is an important formulation for many machine learning problems. Current bilevel optimization algorithms assume that the gradient of the upper-level function is Lipschitz. However, recent studies reveal that certain neural networks such as recurrent neural networks (RNNs) and long-short-term memory networks (LSTMs) exhibit potential unbounded smoothness, rendering conventional bilevel optimization algorithms unsuitable. In this paper, we design a new bilevel optimization algorithm, namely BO-REP, to address this challenge. This algorithm updates the upper-level variable using normalized momentum and incorporates two novel techniques for updating the lower-level variable: initialization refinement and periodic updates. Specifically, once the upper-level variable is initialized, a subroutine is invoked to obtain a refined estimate of the corresponding optimal lower-level variable, and the lower-level variable is updated only after every specific period instead of each iteration. When the upper-level problem is nonconvex and unbounded smooth, and the lower-level problem is strongly convex, we prove that our algorithm requires mathcal{O}(1/epsilon^4) iterations to find an epsilon-stationary point in the stochastic setting, where each iteration involves calling a stochastic gradient or Hessian-vector product oracle. Notably, this result matches the state-of-the-art complexity results under the bounded smoothness setting and without mean-squared smoothness of the stochastic gradient, up to logarithmic factors. Our proof relies on novel technical lemmas for the periodically updated lower-level variable, which are of independent interest. Our experiments on hyper-representation learning, hyperparameter optimization, and data hyper-cleaning for text classification tasks demonstrate the effectiveness of our proposed algorithm.

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.

Fully-connected deep neural networks with weights initialized from independent Gaussian distributions can be tuned to criticality, which prevents the exponential growth or decay of signals propagating through the network. However, such networks still exhibit fluctuations that grow linearly with the depth of the network, which may impair the training of networks with width comparable to depth. We show analytically that rectangular networks with tanh activations and weights initialized from the ensemble of orthogonal matrices have corresponding preactivation fluctuations which are independent of depth, to leading order in inverse width. Moreover, we demonstrate numerically that, at initialization, all correlators involving the neural tangent kernel (NTK) and its descendants at leading order in inverse width -- which govern the evolution of observables during training -- saturate at a depth of sim 20, rather than growing without bound as in the case of Gaussian initializations. We speculate that this structure preserves finite-width feature learning while reducing overall noise, thus improving both generalization and training speed. We provide some experimental justification by relating empirical measurements of the NTK to the superior performance of deep nonlinear orthogonal networks trained under full-batch gradient descent on the MNIST and CIFAR-10 classification tasks.

High-resolution 3D object generation remains a challenging task primarily due to the limited availability of comprehensive annotated training data. Recent advancements have aimed to overcome this constraint by harnessing image generative models, pretrained on extensive curated web datasets, using knowledge transfer techniques like Score Distillation Sampling (SDS). Efficiently addressing the requirements of high-resolution rendering often necessitates the adoption of latent representation-based models, such as the Latent Diffusion Model (LDM). In this framework, a significant challenge arises: To compute gradients for individual image pixels, it is necessary to backpropagate gradients from the designated latent space through the frozen components of the image model, such as the VAE encoder used within LDM. However, this gradient propagation pathway has never been optimized, remaining uncontrolled during training. We find that the unregulated gradients adversely affect the 3D model's capacity in acquiring texture-related information from the image generative model, leading to poor quality appearance synthesis. To address this overarching challenge, we propose an innovative operation termed Pixel-wise Gradient Clipping (PGC) designed for seamless integration into existing 3D generative models, thereby enhancing their synthesis quality. Specifically, we control the magnitude of stochastic gradients by clipping the pixel-wise gradients efficiently, while preserving crucial texture-related gradient directions. Despite this simplicity and minimal extra cost, extensive experiments demonstrate the efficacy of our PGC in enhancing the performance of existing 3D generative models for high-resolution object rendering.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.

The widespread use of vector graphics creates a significant demand for vectorization methods. While recent learning-based techniques have shown their capability to create vector images of clear topology, filling these primitives with gradients remains a challenge. In this paper, we propose a segmentation-guided vectorization framework to convert raster images into concise vector graphics with radial gradient fills. With the guidance of an embedded gradient-aware segmentation subroutine, our approach progressively appends gradient-filled B\'ezier paths to the output, where primitive parameters are initiated with our newly designed initialization technique and are optimized to minimize our novel loss function. We build our method on a differentiable renderer with traditional segmentation algorithms to develop it as a model-free tool for raster-to-vector conversion. It is tested on various inputs to demonstrate its feasibility, independent of datasets, to synthesize vector graphics with improved visual quality and layer-wise topology compared to prior work.

Deep neural networks have achieved impressive experimental results in image classification, but can surprisingly be unstable with respect to adversarial perturbations, that is, minimal changes to the input image that cause the network to misclassify it. With potential applications including perception modules and end-to-end controllers for self-driving cars, this raises concerns about their safety. We develop a novel automated verification framework for feed-forward multi-layer neural networks based on Satisfiability Modulo Theory (SMT). We focus on safety of image classification decisions with respect to image manipulations, such as scratches or changes to camera angle or lighting conditions that would result in the same class being assigned by a human, and define safety for an individual decision in terms of invariance of the classification within a small neighbourhood of the original image. We enable exhaustive search of the region by employing discretisation, and propagate the analysis layer by layer. Our method works directly with the network code and, in contrast to existing methods, can guarantee that adversarial examples, if they exist, are found for the given region and family of manipulations. If found, adversarial examples can be shown to human testers and/or used to fine-tune the network. We implement the techniques using Z3 and evaluate them on state-of-the-art networks, including regularised and deep learning networks. We also compare against existing techniques to search for adversarial examples and estimate network robustness.

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.

Learning a policy with great generalization to unseen environments remains challenging but critical in visual reinforcement learning. Despite the success of augmentation combination in the supervised learning generalization, naively applying it to visual RL algorithms may damage the training efficiency, suffering from serve performance degradation. In this paper, we first conduct qualitative analysis and illuminate the main causes: (i) high-variance gradient magnitudes and (ii) gradient conflicts existed in various augmentation methods. To alleviate these issues, we propose a general policy gradient optimization framework, named Conflict-aware Gradient Agreement Augmentation (CG2A), and better integrate augmentation combination into visual RL algorithms to address the generalization bias. In particular, CG2A develops a Gradient Agreement Solver to adaptively balance the varying gradient magnitudes, and introduces a Soft Gradient Surgery strategy to alleviate the gradient conflicts. Extensive experiments demonstrate that CG2A significantly improves the generalization performance and sample efficiency of visual RL algorithms.

The choice of batch sizes in stochastic gradient optimizers is critical for model training. However, the practice of varying batch sizes throughout the training process is less explored compared to other hyperparameters. We investigate adaptive batch size strategies derived from adaptive sampling methods, traditionally applied only in stochastic gradient descent. Given the significant interplay between learning rates and batch sizes, and considering the prevalence of adaptive gradient methods in deep learning, we emphasize the need for adaptive batch size strategies in these contexts. We introduce AdAdaGrad and its scalar variant AdAdaGradNorm, which incrementally increase batch sizes during training, while model updates are performed using AdaGrad and AdaGradNorm. We prove that AdaGradNorm converges with high probability at a rate of O(1/K) for finding a first-order stationary point of smooth nonconvex functions within K iterations. AdaGrad also demonstrates similar convergence properties when integrated with a novel coordinate-wise variant of our adaptive batch size strategies. Our theoretical claims are supported by numerical experiments on various image classification tasks, highlighting the enhanced adaptability of progressive batching protocols in deep learning and the potential of such adaptive batch size strategies with adaptive gradient optimizers in large-scale model training.

How to ensure fairness is an important topic in federated learning (FL). Recent studies have investigated how to reward clients based on their contribution (collaboration fairness), and how to achieve uniformity of performance across clients (performance fairness). Despite achieving progress on either one, we argue that it is critical to consider them together, in order to engage and motivate more diverse clients joining FL to derive a high-quality global model. In this work, we propose a novel method to optimize both types of fairness simultaneously. Specifically, we propose to estimate client contribution in gradient and data space. In gradient space, we monitor the gradient direction differences of each client with respect to others. And in data space, we measure the prediction error on client data using an auxiliary model. Based on this contribution estimation, we propose a FL method, federated training via contribution estimation (FedCE), i.e., using estimation as global model aggregation weights. We have theoretically analyzed our method and empirically evaluated it on two real-world medical datasets. The effectiveness of our approach has been validated with significant performance improvements, better collaboration fairness, better performance fairness, and comprehensive analytical studies.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

Today's deep learning methods focus on how to design the most appropriate objective functions so that the prediction results of the model can be closest to the ground truth. Meanwhile, an appropriate architecture that can facilitate acquisition of enough information for prediction has to be designed. Existing methods ignore a fact that when input data undergoes layer-by-layer feature extraction and spatial transformation, large amount of information will be lost. This paper will delve into the important issues of data loss when data is transmitted through deep networks, namely information bottleneck and reversible functions. We proposed the concept of programmable gradient information (PGI) to cope with the various changes required by deep networks to achieve multiple objectives. PGI can provide complete input information for the target task to calculate objective function, so that reliable gradient information can be obtained to update network weights. In addition, a new lightweight network architecture -- Generalized Efficient Layer Aggregation Network (GELAN), based on gradient path planning is designed. GELAN's architecture confirms that PGI has gained superior results on lightweight models. We verified the proposed GELAN and PGI on MS COCO dataset based object detection. The results show that GELAN only uses conventional convolution operators to achieve better parameter utilization than the state-of-the-art methods developed based on depth-wise convolution. PGI can be used for variety of models from lightweight to large. It can be used to obtain complete information, so that train-from-scratch models can achieve better results than state-of-the-art models pre-trained using large datasets, the comparison results are shown in Figure 1. The source codes are at: https://github.com/WongKinYiu/yolov9.

The vast majority of successful deep neural networks are trained using variants of stochastic gradient descent (SGD) algorithms. Recent attempts to improve SGD can be broadly categorized into two approaches: (1) adaptive learning rate schemes, such as AdaGrad and Adam, and (2) accelerated schemes, such as heavy-ball and Nesterov momentum. In this paper, we propose a new optimization algorithm, Lookahead, that is orthogonal to these previous approaches and iteratively updates two sets of weights. Intuitively, the algorithm chooses a search direction by looking ahead at the sequence of fast weights generated by another optimizer. We show that Lookahead improves the learning stability and lowers the variance of its inner optimizer with negligible computation and memory cost. We empirically demonstrate Lookahead can significantly improve the performance of SGD and Adam, even with their default hyperparameter settings on ImageNet, CIFAR-10/100, neural machine translation, and Penn Treebank.

Advancing towards generalist agents necessitates the concurrent processing of multiple tasks using a unified model, thereby underscoring the growing significance of simultaneous model training on multiple downstream tasks. A common issue in multi-task learning is the occurrence of gradient conflict, which leads to potential competition among different tasks during joint training. This competition often results in improvements in one task at the expense of deterioration in another. Although several optimization methods have been developed to address this issue by manipulating task gradients for better task balancing, they cannot decrease the incidence of gradient conflict. In this paper, we systematically investigate the occurrence of gradient conflict across different methods and propose a strategy to reduce such conflicts through sparse training (ST), wherein only a portion of the model's parameters are updated during training while keeping the rest unchanged. Our extensive experiments demonstrate that ST effectively mitigates conflicting gradients and leads to superior performance. Furthermore, ST can be easily integrated with gradient manipulation techniques, thus enhancing their effectiveness.

In distributed computing, slower nodes (stragglers) usually become a bottleneck. Gradient Coding (GC), introduced by Tandon et al., is an efficient technique that uses principles of error-correcting codes to distribute gradient computation in the presence of stragglers. In this paper, we consider the distributed computation of a sequence of gradients {g(1),g(2),ldots,g(J)}, where processing of each gradient g(t) starts in round-t and finishes by round-(t+T). Here Tgeq 0 denotes a delay parameter. For the GC scheme, coding is only across computing nodes and this results in a solution where T=0. On the other hand, having T>0 allows for designing schemes which exploit the temporal dimension as well. In this work, we propose two schemes that demonstrate improved performance compared to GC. Our first scheme combines GC with selective repetition of previously unfinished tasks and achieves improved straggler mitigation. In our second scheme, which constitutes our main contribution, we apply GC to a subset of the tasks and repetition for the remainder of the tasks. We then multiplex these two classes of tasks across workers and rounds in an adaptive manner, based on past straggler patterns. Using theoretical analysis, we demonstrate that our second scheme achieves significant reduction in the computational load. In our experiments, we study a practical setting of concurrently training multiple neural networks over an AWS Lambda cluster involving 256 worker nodes, where our framework naturally applies. We demonstrate that the latter scheme can yield a 16\% improvement in runtime over the baseline GC scheme, in the presence of naturally occurring, non-simulated stragglers.

We study the problem of attributing the prediction of a deep network to its input features, a problem previously studied by several other works. We identify two fundamental axioms---Sensitivity and Implementation Invariance that attribution methods ought to satisfy. We show that they are not satisfied by most known attribution methods, which we consider to be a fundamental weakness of those methods. We use the axioms to guide the design of a new attribution method called Integrated Gradients. Our method requires no modification to the original network and is extremely simple to implement; it just needs a few calls to the standard gradient operator. We apply this method to a couple of image models, a couple of text models and a chemistry model, demonstrating its ability to debug networks, to extract rules from a network, and to enable users to engage with models better.

Designing a high-efficiency and high-quality expressive network architecture has always been the most important research topic in the field of deep learning. Most of today's network design strategies focus on how to integrate features extracted from different layers, and how to design computing units to effectively extract these features, thereby enhancing the expressiveness of the network. This paper proposes a new network design strategy, i.e., to design the network architecture based on gradient path analysis. On the whole, most of today's mainstream network design strategies are based on feed forward path, that is, the network architecture is designed based on the data path. In this paper, we hope to enhance the expressive ability of the trained model by improving the network learning ability. Due to the mechanism driving the network parameter learning is the backward propagation algorithm, we design network design strategies based on back propagation path. We propose the gradient path design strategies for the layer-level, the stage-level, and the network-level, and the design strategies are proved to be superior and feasible from theoretical analysis and experiments.

Variance reduction (VR) techniques have contributed significantly to accelerating learning with massive datasets in the smooth and strongly convex setting (Schmidt et al., 2017; Johnson & Zhang, 2013; Roux et al., 2012). However, such techniques have not yet met the same success in the realm of large-scale deep learning due to various factors such as the use of data augmentation or regularization methods like dropout (Defazio & Bottou, 2019). This challenge has recently motivated the design of novel variance reduction techniques tailored explicitly for deep learning (Arnold et al., 2019; Ma & Yarats, 2018). This work is an additional step in this direction. In particular, we exploit the ubiquitous clustering structure of rich datasets used in deep learning to design a family of scalable variance reduced optimization procedures by combining existing optimizers (e.g., SGD+Momentum, Quasi Hyperbolic Momentum, Implicit Gradient Transport) with a multi-momentum strategy (Yuan et al., 2019). Our proposal leads to faster convergence than vanilla methods on standard benchmark datasets (e.g., CIFAR and ImageNet). It is robust to label noise and amenable to distributed optimization. We provide a parallel implementation in JAX.

We study the computational limits of Low-Rank Adaptation (LoRA) update for finetuning transformer-based models using fine-grained complexity theory. Our key observation is that the existence of low-rank decompositions within the gradient computation of LoRA adaptation leads to possible algorithmic speedup. This allows us to (i) identify a phase transition behavior and (ii) prove the existence of nearly linear algorithms by controlling the LoRA update computation term by term, assuming the Strong Exponential Time Hypothesis (SETH). For the former, we identify a sharp transition in the efficiency of all possible rank-r LoRA update algorithms for transformers, based on specific norms resulting from the multiplications of the input sequence X, pretrained weights W^star, and adapter matrices alpha B A / r. Specifically, we derive a shared upper bound threshold for such norms and show that efficient (sub-quadratic) approximation algorithms of LoRA exist only below this threshold. For the latter, we prove the existence of nearly linear approximation algorithms for LoRA adaptation by utilizing the hierarchical low-rank structures of LoRA gradients and approximating the gradients with a series of chained low-rank approximations. To showcase our theory, we consider two practical scenarios: partial (e.g., only W_V and W_Q) and full adaptations (e.g., W_Q, W_V, and W_K) of weights in attention heads.

We introduce a new algorithm named WGAN, an alternative to traditional GAN training. In this new model, we show that we can improve the stability of learning, get rid of problems like mode collapse, and provide meaningful learning curves useful for debugging and hyperparameter searches. Furthermore, we show that the corresponding optimization problem is sound, and provide extensive theoretical work highlighting the deep connections to other distances between distributions.

The optimization of multilayer neural networks typically leads to a solution with zero training error, yet the landscape can exhibit spurious local minima and the minima can be disconnected. In this paper, we shed light on this phenomenon: we show that the combination of stochastic gradient descent (SGD) and over-parameterization makes the landscape of multilayer neural networks approximately connected and thus more favorable to optimization. More specifically, we prove that SGD solutions are connected via a piecewise linear path, and the increase in loss along this path vanishes as the number of neurons grows large. This result is a consequence of the fact that the parameters found by SGD are increasingly dropout stable as the network becomes wider. We show that, if we remove part of the neurons (and suitably rescale the remaining ones), the change in loss is independent of the total number of neurons, and it depends only on how many neurons are left. Our results exhibit a mild dependence on the input dimension: they are dimension-free for two-layer networks and depend linearly on the dimension for multilayer networks. We validate our theoretical findings with numerical experiments for different architectures and classification tasks.

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

Image generation using diffusion models have demonstrated outstanding learning capabilities, effectively capturing the full distribution of the training dataset. They are known to generate wide variations in sampled images, albeit with a trade-off in image fidelity. Guided sampling methods, such as classifier guidance (CG) and classifier-free guidance (CFG), focus sampling in well-learned high-probability regions to generate images of high fidelity, but each has its limitations. CG is computationally expensive due to the use of back-propagation for classifier gradient descent, while CFG, being gradient-free, is more efficient but compromises class label alignment compared to CG. In this work, we propose an efficient guidance method that fully utilizes a pre-trained classifier without using gradient descent. By using the classifier solely in inference mode, a time-adaptive reference class label and corresponding guidance scale are determined at each time step for guided sampling. Experiments on both class-conditioned and text-to-image generation diffusion models demonstrate that the proposed Gradient-free Classifier Guidance (GFCG) method consistently improves class prediction accuracy. We also show GFCG to be complementary to other guided sampling methods like CFG. When combined with the state-of-the-art Autoguidance (ATG), without additional computational overhead, it enhances image fidelity while preserving diversity. For ImageNet 512times512, we achieve a record FD_{DINOv2} of 23.09, while simultaneously attaining a higher classification Precision (94.3%) compared to ATG (90.2%)

As models for nature language processing (NLP), computer vision (CV) and recommendation systems (RS) require surging computation, a large number of GPUs/TPUs are paralleled as a large batch (LB) to improve training throughput. However, training such LB tasks often meets large generalization gap and downgrades final precision, which limits enlarging the batch size. In this work, we develop the variance reduced gradient descent technique (VRGD) based on the gradient signal to noise ratio (GSNR) and apply it onto popular optimizers such as SGD/Adam/LARS/LAMB. We carry out a theoretical analysis of convergence rate to explain its fast training dynamics, and a generalization analysis to demonstrate its smaller generalization gap on LB training. Comprehensive experiments demonstrate that VRGD can accelerate training (1sim 2 times), narrow generalization gap and improve final accuracy. We push the batch size limit of BERT pretraining up to 128k/64k and DLRM to 512k without noticeable accuracy loss. We improve ImageNet Top-1 accuracy at 96k by 0.52pp than LARS. The generalization gap of BERT and ImageNet training is significantly reduce by over 65%.

Going beyond stochastic gradient descent (SGD), what new phenomena emerge in wide neural networks trained by adaptive optimizers like Adam? Here we show: The same dichotomy between feature learning and kernel behaviors (as in SGD) holds for general optimizers as well, including Adam -- albeit with a nonlinear notion of "kernel." We derive the corresponding "neural tangent" and "maximal update" limits for any architecture. Two foundational advances underlie the above results: 1) A new Tensor Program language, NEXORT, that can express how adaptive optimizers process gradients into updates. 2) The introduction of bra-ket notation to drastically simplify expressions and calculations in Tensor Programs. This work summarizes and generalizes all previous results in the Tensor Programs series of papers.

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

In image-to-image translation, each patch in the output should reflect the content of the corresponding patch in the input, independent of domain. We propose a straightforward method for doing so -- maximizing mutual information between the two, using a framework based on contrastive learning. The method encourages two elements (corresponding patches) to map to a similar point in a learned feature space, relative to other elements (other patches) in the dataset, referred to as negatives. We explore several critical design choices for making contrastive learning effective in the image synthesis setting. Notably, we use a multilayer, patch-based approach, rather than operate on entire images. Furthermore, we draw negatives from within the input image itself, rather than from the rest of the dataset. We demonstrate that our framework enables one-sided translation in the unpaired image-to-image translation setting, while improving quality and reducing training time. In addition, our method can even be extended to the training setting where each "domain" is only a single image.

Despite the success of deep learning for text and image data, tree-based ensemble models are still state-of-the-art for machine learning with heterogeneous tabular data. However, there is a significant need for tabular-specific gradient-based methods due to their high flexibility. In this paper, we propose GRANDE, GRAdieNt-Based Decision Tree Ensembles, a novel approach for learning hard, axis-aligned decision tree ensembles using end-to-end gradient descent. GRANDE is based on a dense representation of tree ensembles, which affords to use backpropagation with a straight-through operator to jointly optimize all model parameters. Our method combines axis-aligned splits, which is a useful inductive bias for tabular data, with the flexibility of gradient-based optimization. Furthermore, we introduce an advanced instance-wise weighting that facilitates learning representations for both, simple and complex relations, within a single model. We conducted an extensive evaluation on a predefined benchmark with 19 classification datasets and demonstrate that our method outperforms existing gradient-boosting and deep learning frameworks on most datasets. The method is available under: https://github.com/s-marton/GRANDE

Normalization layers are one of the key building blocks for deep neural networks. Several theoretical studies have shown that batch normalization improves the signal propagation, by avoiding the representations from becoming collinear across the layers. However, results on mean-field theory of batch normalization also conclude that this benefit comes at the expense of exploding gradients in depth. Motivated by these two aspects of batch normalization, in this study we pose the following question: "Can a batch-normalized network keep the optimal signal propagation properties, but avoid exploding gradients?" We answer this question in the affirmative by giving a particular construction of an Multi-Layer Perceptron (MLP) with linear activations and batch-normalization that provably has bounded gradients at any depth. Based on Weingarten calculus, we develop a rigorous and non-asymptotic theory for this constructed MLP that gives a precise characterization of forward signal propagation, while proving that gradients remain bounded for linearly independent input samples, which holds in most practical settings. Inspired by our theory, we also design an activation shaping scheme that empirically achieves the same properties for certain non-linear activations.

This work investigates the use of smooth neural networks for modeling dynamic variations of implicit surfaces under the level set equation (LSE). For this, it extends the representation of neural implicit surfaces to the space-time R^3times R, which opens up mechanisms for continuous geometric transformations. Examples include evolving an initial surface towards general vector fields, smoothing and sharpening using the mean curvature equation, and interpolations of initial conditions. The network training considers two constraints. A data term is responsible for fitting the initial condition to the corresponding time instant, usually R^3 times {0}. Then, a LSE term forces the network to approximate the underlying geometric evolution given by the LSE, without any supervision. The network can also be initialized based on previously trained initial conditions, resulting in faster convergence compared to the standard approach.

We propose a novel theoretical framework of analysis for Generative Adversarial Networks (GANs). We reveal a fundamental flaw of previous analyses which, by incorrectly modeling GANs' training scheme, are subject to ill-defined discriminator gradients. We overcome this issue which impedes a principled study of GAN training, solving it within our framework by taking into account the discriminator's architecture. To this end, we leverage the theory of infinite-width neural networks for the discriminator via its Neural Tangent Kernel. We characterize the trained discriminator for a wide range of losses and establish general differentiability properties of the network. From this, we derive new insights about the convergence of the generated distribution, advancing our understanding of GANs' training dynamics. We empirically corroborate these results via an analysis toolkit based on our framework, unveiling intuitions that are consistent with GAN practice.

Memory footprint is one of the main limiting factors for large neural network training. In backpropagation, one needs to store the input to each operation in the computational graph. Every modern neural network model has quite a few pointwise nonlinearities in its architecture, and such operation induces additional memory costs which -- as we show -- can be significantly reduced by quantization of the gradients. We propose a systematic approach to compute optimal quantization of the retained gradients of the pointwise nonlinear functions with only a few bits per each element. We show that such approximation can be achieved by computing optimal piecewise-constant approximation of the derivative of the activation function, which can be done by dynamic programming. The drop-in replacements are implemented for all popular nonlinearities and can be used in any existing pipeline. We confirm the memory reduction and the same convergence on several open benchmarks.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

While theoretically appealing, the application of the Wasserstein distance to large-scale machine learning problems has been hampered by its prohibitive computational cost. The sliced Wasserstein distance and its variants improve the computational efficiency through the random projection, yet they suffer from low accuracy if the number of projections is not sufficiently large, because the majority of projections result in trivially small values. In this work, we propose a new family of distance metrics, called augmented sliced Wasserstein distances (ASWDs), constructed by first mapping samples to higher-dimensional hypersurfaces parameterized by neural networks. It is derived from a key observation that (random) linear projections of samples residing on these hypersurfaces would translate to much more flexible nonlinear projections in the original sample space, so they can capture complex structures of the data distribution. We show that the hypersurfaces can be optimized by gradient ascent efficiently. We provide the condition under which the ASWD is a valid metric and show that this can be obtained by an injective neural network architecture. Numerical results demonstrate that the ASWD significantly outperforms other Wasserstein variants for both synthetic and real-world problems.

We consider the optimization problem of the form min_{x in R^d} f(x) triangleq E_{xi} [F(x; xi)], where the component F(x;xi) is L-mean-squared Lipschitz but possibly nonconvex and nonsmooth. The recently proposed gradient-free method requires at most O( L^4 d^{3/2} epsilon^{-4} + Delta L^3 d^{3/2} delta^{-1} epsilon^{-4}) stochastic zeroth-order oracle complexity to find a (delta,epsilon)-Goldstein stationary point of objective function, where Delta = f(x_0) - inf_{x in R^d} f(x) and x_0 is the initial point of the algorithm. This paper proposes a more efficient algorithm using stochastic recursive gradient estimators, which improves the complexity to O(L^3 d^{3/2} epsilon^{-3}+ Delta L^2 d^{3/2} delta^{-1} epsilon^{-3}).

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.

The loss landscape of neural networks is a critical aspect of their training, and understanding its properties is essential for improving their performance. In this paper, we investigate how the loss surface changes when the sample size increases, a previously unexplored issue. We theoretically analyze the convergence of the loss landscape in a fully connected neural network and derive upper bounds for the difference in loss function values when adding a new object to the sample. Our empirical study confirms these results on various datasets, demonstrating the convergence of the loss function surface for image classification tasks. Our findings provide insights into the local geometry of neural loss landscapes and have implications for the development of sample size determination techniques.

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative "AMP loss" is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the "worst" norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.

Deep neural networks have enabled progress in a wide variety of applications. Growing the size of the neural network typically results in improved accuracy. As model sizes grow, the memory and compute requirements for training these models also increases. We introduce a technique to train deep neural networks using half precision floating point numbers. In our technique, weights, activations and gradients are stored in IEEE half-precision format. Half-precision floating numbers have limited numerical range compared to single-precision numbers. We propose two techniques to handle this loss of information. Firstly, we recommend maintaining a single-precision copy of the weights that accumulates the gradients after each optimizer step. This single-precision copy is rounded to half-precision format during training. Secondly, we propose scaling the loss appropriately to handle the loss of information with half-precision gradients. We demonstrate that this approach works for a wide variety of models including convolution neural networks, recurrent neural networks and generative adversarial networks. This technique works for large scale models with more than 100 million parameters trained on large datasets. Using this approach, we can reduce the memory consumption of deep learning models by nearly 2x. In future processors, we can also expect a significant computation speedup using half-precision hardware units.

While the Transformer architecture has achieved remarkable success across various domains, a thorough theoretical foundation explaining its optimization dynamics is yet to be fully developed. In this study, we aim to bridge this understanding gap by answering the following two core questions: (1) Which types of Transformer architectures allow Gradient Descent (GD) to achieve guaranteed convergence? and (2) Under what initial conditions and architectural specifics does the Transformer achieve rapid convergence during training? By analyzing the loss landscape of a single Transformer layer using Softmax and Gaussian attention kernels, our work provides concrete answers to these questions. Our findings demonstrate that, with appropriate weight initialization, GD can train a Transformer model (with either kernel type) to achieve a global optimal solution, especially when the input embedding dimension is large. Nonetheless, certain scenarios highlight potential pitfalls: training a Transformer using the Softmax attention kernel may sometimes lead to suboptimal local solutions. In contrast, the Gaussian attention kernel exhibits a much favorable behavior. Our empirical study further validate the theoretical findings.

We propose ScaledGD(\lambda), a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, ScaledGD(\lambda) starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, ScaledGD(\lambda) is remarkably robust to ill-conditioning compared to vanilla gradient descent (GD) even with overprameterization. Specifically, we show that, under the Gaussian design, ScaledGD(\lambda) converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla GD which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

We propose Equiangular Basis Vectors (EBVs) for classification tasks. In deep neural networks, models usually end with a k-way fully connected layer with softmax to handle different classification tasks. The learning objective of these methods can be summarized as mapping the learned feature representations to the samples' label space. While in metric learning approaches, the main objective is to learn a transformation function that maps training data points from the original space to a new space where similar points are closer while dissimilar points become farther apart. Different from previous methods, our EBVs generate normalized vector embeddings as "predefined classifiers" which are required to not only be with the equal status between each other, but also be as orthogonal as possible. By minimizing the spherical distance of the embedding of an input between its categorical EBV in training, the predictions can be obtained by identifying the categorical EBV with the smallest distance during inference. Various experiments on the ImageNet-1K dataset and other downstream tasks demonstrate that our method outperforms the general fully connected classifier while it does not introduce huge additional computation compared with classical metric learning methods. Our EBVs won the first place in the 2022 DIGIX Global AI Challenge, and our code is open-source and available at https://github.com/NJUST-VIPGroup/Equiangular-Basis-Vectors.

We propose a new framework for estimating generative models via an adversarial process, in which we simultaneously train two models: a generative model G that captures the data distribution, and a discriminative model D that estimates the probability that a sample came from the training data rather than G. The training procedure for G is to maximize the probability of D making a mistake. This framework corresponds to a minimax two-player game. In the space of arbitrary functions G and D, a unique solution exists, with G recovering the training data distribution and D equal to 1/2 everywhere. In the case where G and D are defined by multilayer perceptrons, the entire system can be trained with backpropagation. There is no need for any Markov chains or unrolled approximate inference networks during either training or generation of samples. Experiments demonstrate the potential of the framework through qualitative and quantitative evaluation of the generated samples.

We present a deep learning-based method for propagating spatially-varying visual material attributes (e.g. texture maps or image stylizations) to larger samples of the same or similar materials. For training, we leverage images of the material taken under multiple illuminations and a dedicated data augmentation policy, making the transfer robust to novel illumination conditions and affine deformations. Our model relies on a supervised image-to-image translation framework and is agnostic to the transferred domain; we showcase a semantic segmentation, a normal map, and a stylization. Following an image analogies approach, the method only requires the training data to contain the same visual structures as the input guidance. Our approach works at interactive rates, making it suitable for material edit applications. We thoroughly evaluate our learning methodology in a controlled setup providing quantitative measures of performance. Last, we demonstrate that training the model on a single material is enough to generalize to materials of the same type without the need for massive datasets.

Differentiable architecture search (DARTS) yields highly efficient gradient-based neural architecture search (NAS) by relaxing the discrete operation selection to optimize continuous architecture parameters that maps NAS from the discrete optimization to a continuous problem. DARTS then remaps the relaxed supernet back to the discrete space by one-off post-search pruning to obtain the final architecture (finalnet). Some emerging works argue that this remap is inherently prone to mismatch the network between training and evaluation which leads to performance discrepancy and even model collapse in extreme cases. We propose to close the gap between the relaxed supernet in training and the pruned finalnet in evaluation through utilizing small temperature to sparsify the continuous distribution in the training phase. To this end, we first formulate sparse-noisy softmax to get around gradient saturation. We then propose an exponential temperature schedule to better control the outbound distribution and elaborate an entropy-based adaptive scheme to finally achieve the enhancement. We conduct extensive experiments to verify the efficiency and efficacy of our method.

Recent studies have demonstrated that gradient matching-based dataset synthesis, or dataset condensation (DC), methods can achieve state-of-the-art performance when applied to data-efficient learning tasks. However, in this study, we prove that the existing DC methods can perform worse than the random selection method when task-irrelevant information forms a significant part of the training dataset. We attribute this to the lack of participation of the contrastive signals between the classes resulting from the class-wise gradient matching strategy. To address this problem, we propose Dataset Condensation with Contrastive signals (DCC) by modifying the loss function to enable the DC methods to effectively capture the differences between classes. In addition, we analyze the new loss function in terms of training dynamics by tracking the kernel velocity. Furthermore, we introduce a bi-level warm-up strategy to stabilize the optimization. Our experimental results indicate that while the existing methods are ineffective for fine-grained image classification tasks, the proposed method can successfully generate informative synthetic datasets for the same tasks. Moreover, we demonstrate that the proposed method outperforms the baselines even on benchmark datasets such as SVHN, CIFAR-10, and CIFAR-100. Finally, we demonstrate the high applicability of the proposed method by applying it to continual learning tasks.

We analyze Newton's method with lazy Hessian updates for solving general possibly non-convex optimization problems. We propose to reuse a previously seen Hessian for several iterations while computing new gradients at each step of the method. This significantly reduces the overall arithmetical complexity of second-order optimization schemes. By using the cubic regularization technique, we establish fast global convergence of our method to a second-order stationary point, while the Hessian does not need to be updated each iteration. For convex problems, we justify global and local superlinear rates for lazy Newton steps with quadratic regularization, which is easier to compute. The optimal frequency for updating the Hessian is once every d iterations, where d is the dimension of the problem. This provably improves the total arithmetical complexity of second-order algorithms by a factor d.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

The field of texture synthesis has witnessed important progresses over the last years, most notably through the use of Convolutional Neural Networks. However, neural synthesis methods still struggle to reproduce large scale structures, especially with high resolution textures. To address this issue, we first introduce a simple multi-resolution framework that efficiently accounts for long-range dependency. Then, we show that additional statistical constraints further improve the reproduction of textures with strong regularity. This can be achieved by constraining both the Gram matrices of a neural network and the power spectrum of the image. Alternatively one may constrain only the autocorrelation of the features of the network and drop the Gram matrices constraints. In an experimental part, the proposed methods are then extensively tested and compared to alternative approaches, both in an unsupervised way and through a user study. Experiments show the interest of the multi-scale scheme for high resolution textures and the interest of combining it with additional constraints for regular textures.

We study the problem of convergence to a stationary point in zero-sum games. We propose competitive gradient optimization (CGO ), a gradient-based method that incorporates the interactions between the two players in zero-sum games for optimization updates. We provide continuous-time analysis of CGO and its convergence properties while showing that in the continuous limit, CGO predecessors degenerate to their gradient descent ascent (GDA) variants. We provide a rate of convergence to stationary points and further propose a generalized class of alpha-coherent function for which we provide convergence analysis. We show that for strictly alpha-coherent functions, our algorithm convergences to a saddle point. Moreover, we propose optimistic CGO (OCGO), an optimistic variant, for which we show convergence rate to saddle points in alpha-coherent class of functions.

One approach to reducing the massive costs of large language models (LLMs) is the use of quantized or sparse representations for training or deployment. While post-training compression methods are very popular, the question of obtaining even more accurate compressed models by directly training over such representations, i.e., Quantization-Aware Training (QAT), is still open: for example, a recent study (arXiv:2411.04330v2) put the "optimal" bit-width at which models can be trained using QAT, while staying accuracy-competitive with standard FP16/BF16 precision, at 8-bits weights and activations. We advance this state-of-the-art via a new method called QuEST, which is Pareto-competitive with FP16, i.e., it provides better accuracy at lower model size, while training models with weights and activations in 4-bits or less. Moreover, QuEST allows stable training with 1-bit weights and activations. QuEST achieves this by improving two key aspects of QAT methods: (1) accurate and fast quantization of the (continuous) distributions of weights and activations via Hadamard normalization and MSE-optimal fitting; (2) a new trust gradient estimator based on the idea of explicitly minimizing the error between the noisy gradient computed over quantized states and the "true" (but unknown) full-precision gradient. Experiments on Llama-type architectures show that QuEST induces stable scaling laws across the entire range of hardware-supported precisions, and can be extended to sparse representations. We provide GPU kernel support showing that models produced by QuEST can be executed efficiently. Our code is available at https://github.com/IST-DASLab/QuEST.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Generative adversarial networks (GANs) learn a target probability distribution by optimizing a generator and a discriminator with minimax objectives. This paper addresses the question of whether such optimization actually provides the generator with gradients that make its distribution close to the target distribution. We derive metrizable conditions, sufficient conditions for the discriminator to serve as the distance between the distributions by connecting the GAN formulation with the concept of sliced optimal transport. Furthermore, by leveraging these theoretical results, we propose a novel GAN training scheme, called slicing adversarial network (SAN). With only simple modifications, a broad class of existing GANs can be converted to SANs. Experiments on synthetic and image datasets support our theoretical results and the SAN's effectiveness as compared to usual GANs. Furthermore, we also apply SAN to StyleGAN-XL, which leads to state-of-the-art FID score amongst GANs for class conditional generation on ImageNet 256times256.

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations both scale well with increasing resolution, are continuous, and can be many-times differentiable. However, given a dataset of signals that we would like to represent, having to optimize a separate neural field for each signal is inefficient, and cannot capitalize on shared information or structures among signals. Existing generalization methods view this as a meta-learning problem and employ gradient-based meta-learning to learn an initialization which is then fine-tuned with test-time optimization, or learn hypernetworks to produce the weights of a neural field. We instead propose a new paradigm that views the large-scale training of neural representations as a part of a partially-observed neural process framework, and leverage neural process algorithms to solve this task. We demonstrate that this approach outperforms both state-of-the-art gradient-based meta-learning approaches and hypernetwork approaches.

We show that diffusion models can achieve image sample quality superior to the current state-of-the-art generative models. We achieve this on unconditional image synthesis by finding a better architecture through a series of ablations. For conditional image synthesis, we further improve sample quality with classifier guidance: a simple, compute-efficient method for trading off diversity for fidelity using gradients from a classifier. We achieve an FID of 2.97 on ImageNet 128times128, 4.59 on ImageNet 256times256, and 7.72 on ImageNet 512times512, and we match BigGAN-deep even with as few as 25 forward passes per sample, all while maintaining better coverage of the distribution. Finally, we find that classifier guidance combines well with upsampling diffusion models, further improving FID to 3.94 on ImageNet 256times256 and 3.85 on ImageNet 512times512. We release our code at https://github.com/openai/guided-diffusion

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.

Deep Neural Networks (DNNs) are typically trained by backpropagation in a batch learning setting, which requires the entire training data to be made available prior to the learning task. This is not scalable for many real-world scenarios where new data arrives sequentially in a stream form. We aim to address an open challenge of "Online Deep Learning" (ODL) for learning DNNs on the fly in an online setting. Unlike traditional online learning that often optimizes some convex objective function with respect to a shallow model (e.g., a linear/kernel-based hypothesis), ODL is significantly more challenging since the optimization of the DNN objective function is non-convex, and regular backpropagation does not work well in practice, especially for online learning settings. In this paper, we present a new online deep learning framework that attempts to tackle the challenges by learning DNN models of adaptive depth from a sequence of training data in an online learning setting. In particular, we propose a novel Hedge Backpropagation (HBP) method for online updating the parameters of DNN effectively, and validate the efficacy of our method on large-scale data sets, including both stationary and concept drifting scenarios.

We investigate the transformer's capability for in-context learning (ICL) to simulate the training process of deep models. Our key contribution is providing a positive example of using a transformer to train a deep neural network by gradient descent in an implicit fashion via ICL. Specifically, we provide an explicit construction of a (2N+4)L-layer transformer capable of simulating L gradient descent steps of an N-layer ReLU network through ICL. We also give the theoretical guarantees for the approximation within any given error and the convergence of the ICL gradient descent. Additionally, we extend our analysis to the more practical setting using Softmax-based transformers. We validate our findings on synthetic datasets for 3-layer, 4-layer, and 6-layer neural networks. The results show that ICL performance matches that of direct training.

Neural network training relies on our ability to find "good" minimizers of highly non-convex loss functions. It is well-known that certain network architecture designs (e.g., skip connections) produce loss functions that train easier, and well-chosen training parameters (batch size, learning rate, optimizer) produce minimizers that generalize better. However, the reasons for these differences, and their effects on the underlying loss landscape, are not well understood. In this paper, we explore the structure of neural loss functions, and the effect of loss landscapes on generalization, using a range of visualization methods. First, we introduce a simple "filter normalization" method that helps us visualize loss function curvature and make meaningful side-by-side comparisons between loss functions. Then, using a variety of visualizations, we explore how network architecture affects the loss landscape, and how training parameters affect the shape of minimizers.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

Gradients can be employed for sensitivity analysis. Here, we leverage the advantages of the Loss Landscape to comprehend which independent variables impact the dependent variable. We seek to grasp the loss landscape by utilizing first, second, and third derivatives through automatic differentiation. we know that Spearman's rank correlation coefficient can detect the monotonic relationship between two variables. However, I have found that second-order gradients, with certain configurations and parameters, provide information that can be visualized similarly to Spearman results, In this approach, we incorporate a loss function with an activation function, resulting in a non-linear pattern. Each exploration of the loss landscape through retraining yields new valuable information. Furthermore, the first and third derivatives are also beneficial, as they indicate the extent to which independent variables influence the dependent variable.

Self-tuning algorithms that adapt the learning process online encourage more effective and robust learning. Among all the methods available, meta-gradients have emerged as a promising approach. They leverage the differentiability of the learning rule with respect to some hyper-parameters to adapt them in an online fashion. Although meta-gradients can be accumulated over multiple learning steps to avoid myopic updates, this is rarely used in practice. In this work, we demonstrate that whilst multi-step meta-gradients do provide a better learning signal in expectation, this comes at the cost of a significant increase in variance, hindering performance. In the light of this analysis, we introduce a novel method mixing multiple inner steps that enjoys a more accurate and robust meta-gradient signal, essentially trading off bias and variance in meta-gradient estimation. When applied to the Snake game, the mixing meta-gradient algorithm can cut the variance by a factor of 3 while achieving similar or higher performance.

We present a novel approach to adjust global image properties such as colour, saturation, and luminance using human-interpretable image enhancement curves, inspired by the Photoshop curves tool. Our method, dubbed neural CURve Layers (CURL), is designed as a multi-colour space neural retouching block trained jointly in three different colour spaces (HSV, CIELab, RGB) guided by a novel multi-colour space loss. The curves are fully differentiable and are trained end-to-end for different computer vision problems including photo enhancement (RGB-to-RGB) and as part of the image signal processing pipeline for image formation (RAW-to-RGB). To demonstrate the effectiveness of CURL we combine this global image transformation block with a pixel-level (local) image multi-scale encoder-decoder backbone network. In an extensive experimental evaluation we show that CURL produces state-of-the-art image quality versus recently proposed deep learning approaches in both objective and perceptual metrics, setting new state-of-the-art performance on multiple public datasets. Our code is publicly available at: https://github.com/sjmoran/CURL.

In this paper we address the problem of artist style transfer where the painting style of a given artist is applied on a real world photograph. We train our neural networks in adversarial setting via recently introduced quadratic potential divergence for stable learning process. To further improve the quality of generated artist stylized images we also integrate some of the recently introduced deep learning techniques in our method. To our best knowledge this is the first attempt towards artist style transfer via quadratic potential divergence. We provide some stylized image samples in the supplementary material. The source code for experimentation was written in PyTorch and is available online in my GitHub repository.

In this work, we study the evolution of the loss Hessian across many classification tasks in order to understand the effect the curvature of the loss has on the training dynamics. Whereas prior work has focused on how different learning rates affect the loss Hessian observed during training, we also analyze the effects of model initialization, architectural choices, and common training heuristics such as gradient clipping and learning rate warmup. Our results demonstrate that successful model and hyperparameter choices allow the early optimization trajectory to either avoid -- or navigate out of -- regions of high curvature and into flatter regions that tolerate a higher learning rate. Our results suggest a unifying perspective on how disparate mitigation strategies for training instability ultimately address the same underlying failure mode of neural network optimization, namely poor conditioning. Inspired by the conditioning perspective, we show that learning rate warmup can improve training stability just as much as batch normalization, layer normalization, MetaInit, GradInit, and Fixup initialization.

Exchanging gradients is a widely used method in modern multi-node machine learning system (e.g., distributed training, collaborative learning). For a long time, people believed that gradients are safe to share: i.e., the training data will not be leaked by gradient exchange. However, we show that it is possible to obtain the private training data from the publicly shared gradients. We name this leakage as Deep Leakage from Gradient and empirically validate the effectiveness on both computer vision and natural language processing tasks. Experimental results show that our attack is much stronger than previous approaches: the recovery is pixel-wise accurate for images and token-wise matching for texts. We want to raise people's awareness to rethink the gradient's safety. Finally, we discuss several possible strategies to prevent such deep leakage. The most effective defense method is gradient pruning.

Siamese networks have become a common structure in various recent models for unsupervised visual representation learning. These models maximize the similarity between two augmentations of one image, subject to certain conditions for avoiding collapsing solutions. In this paper, we report surprising empirical results that simple Siamese networks can learn meaningful representations even using none of the following: (i) negative sample pairs, (ii) large batches, (iii) momentum encoders. Our experiments show that collapsing solutions do exist for the loss and structure, but a stop-gradient operation plays an essential role in preventing collapsing. We provide a hypothesis on the implication of stop-gradient, and further show proof-of-concept experiments verifying it. Our "SimSiam" method achieves competitive results on ImageNet and downstream tasks. We hope this simple baseline will motivate people to rethink the roles of Siamese architectures for unsupervised representation learning. Code will be made available.

Variational inequalities have recently attracted considerable interest in machine learning as a flexible paradigm for models that go beyond ordinary loss function minimization (such as generative adversarial networks and related deep learning systems). In this setting, the optimal O(1/t) convergence rate for solving smooth monotone variational inequalities is achieved by the Extra-Gradient (EG) algorithm and its variants. Aiming to alleviate the cost of an extra gradient step per iteration (which can become quite substantial in deep learning applications), several algorithms have been proposed as surrogates to Extra-Gradient with a single oracle call per iteration. In this paper, we develop a synthetic view of such algorithms, and we complement the existing literature by showing that they retain a O(1/t) ergodic convergence rate in smooth, deterministic problems. Subsequently, beyond the monotone deterministic case, we also show that the last iterate of single-call, stochastic extra-gradient methods still enjoys a O(1/t) local convergence rate to solutions of non-monotone variational inequalities that satisfy a second-order sufficient condition.

In this paper, we first investigate a visual quality degradation problem observed in recent high-resolution virtual try-on approach. The tendency is empirically found that the textures of clothes are squeezed at the sleeve, as visualized in the upper row of Fig.1(a). A main reason for the issue arises from a gradient conflict between two popular losses, the Total Variation (TV) and adversarial losses. Specifically, the TV loss aims to disconnect boundaries between the sleeve and torso in a warped clothing mask, whereas the adversarial loss aims to combine between them. Such contrary objectives feedback the misaligned gradients to a cascaded appearance flow estimation, resulting in undesirable squeezing artifacts. To reduce this, we propose a Sequential Deformation (SD-VITON) that disentangles the appearance flow prediction layers into TV objective-dominant (TVOB) layers and a task-coexistence (TACO) layer. Specifically, we coarsely fit the clothes onto a human body via the TVOB layers, and then keep on refining via the TACO layer. In addition, the bottom row of Fig.1(a) shows a different type of squeezing artifacts around the waist. To address it, we further propose that we first warp the clothes into a tucked-out shirts style, and then partially erase the texture from the warped clothes without hurting the smoothness of the appearance flows. Experimental results show that our SD-VITON successfully resolves both types of artifacts and outperforms the baseline methods. Source code will be available at https://github.com/SHShim0513/SD-VITON.

The aim of this paper is to introduce a new learning procedure for neural networks and to demonstrate that it works well enough on a few small problems to be worth further investigation. The Forward-Forward algorithm replaces the forward and backward passes of backpropagation by two forward passes, one with positive (i.e. real) data and the other with negative data which could be generated by the network itself. Each layer has its own objective function which is simply to have high goodness for positive data and low goodness for negative data. The sum of the squared activities in a layer can be used as the goodness but there are many other possibilities, including minus the sum of the squared activities. If the positive and negative passes could be separated in time, the negative passes could be done offline, which would make the learning much simpler in the positive pass and allow video to be pipelined through the network without ever storing activities or stopping to propagate derivatives.

We analyze the convergence of (stochastic) gradient descent algorithm for learning a convolutional filter with Rectified Linear Unit (ReLU) activation function. Our analysis does not rely on any specific form of the input distribution and our proofs only use the definition of ReLU, in contrast with previous works that are restricted to standard Gaussian input. We show that (stochastic) gradient descent with random initialization can learn the convolutional filter in polynomial time and the convergence rate depends on the smoothness of the input distribution and the closeness of patches. To the best of our knowledge, this is the first recovery guarantee of gradient-based algorithms for convolutional filter on non-Gaussian input distributions. Our theory also justifies the two-stage learning rate strategy in deep neural networks. While our focus is theoretical, we also present experiments that illustrate our theoretical findings.

We propose a new regularization method based on virtual adversarial loss: a new measure of local smoothness of the conditional label distribution given input. Virtual adversarial loss is defined as the robustness of the conditional label distribution around each input data point against local perturbation. Unlike adversarial training, our method defines the adversarial direction without label information and is hence applicable to semi-supervised learning. Because the directions in which we smooth the model are only "virtually" adversarial, we call our method virtual adversarial training (VAT). The computational cost of VAT is relatively low. For neural networks, the approximated gradient of virtual adversarial loss can be computed with no more than two pairs of forward- and back-propagations. In our experiments, we applied VAT to supervised and semi-supervised learning tasks on multiple benchmark datasets. With a simple enhancement of the algorithm based on the entropy minimization principle, our VAT achieves state-of-the-art performance for semi-supervised learning tasks on SVHN and CIFAR-10.

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

Gaining insight into how deep convolutional neural network models perform image classification and how to explain their outputs have been a concern to computer vision researchers and decision makers. These deep models are often referred to as black box due to low comprehension of their internal workings. As an effort to developing explainable deep learning models, several methods have been proposed such as finding gradients of class output with respect to input image (sensitivity maps), class activation map (CAM), and Gradient based Class Activation Maps (Grad-CAM). These methods under perform when localizing multiple occurrences of the same class and do not work for all CNNs. In addition, Grad-CAM does not capture the entire object in completeness when used on single object images, this affect performance on recognition tasks. With the intention to create an enhanced visual explanation in terms of visual sharpness, object localization and explaining multiple occurrences of objects in a single image, we present Smooth Grad-CAM++ Simple demo: http://35.238.22.135:5000/, a technique that combines methods from two other recent techniques---SMOOTHGRAD and Grad-CAM++. Our Smooth Grad-CAM++ technique provides the capability of either visualizing a layer, subset of feature maps, or subset of neurons within a feature map at each instance at the inference level (model prediction process). After experimenting with few images, Smooth Grad-CAM++ produced more visually sharp maps with better localization of objects in the given input images when compared with other methods.

Differentiable sorting algorithms allow training with sorting and ranking supervision, where only the ordering or ranking of samples is known. Various methods have been proposed to address this challenge, ranging from optimal transport-based differentiable Sinkhorn sorting algorithms to making classic sorting networks differentiable. One problem of current differentiable sorting methods is that they are non-monotonic. To address this issue, we propose a novel relaxation of conditional swap operations that guarantees monotonicity in differentiable sorting networks. We introduce a family of sigmoid functions and prove that they produce differentiable sorting networks that are monotonic. Monotonicity ensures that the gradients always have the correct sign, which is an advantage in gradient-based optimization. We demonstrate that monotonic differentiable sorting networks improve upon previous differentiable sorting methods.

In current deep learning tasks, Adam style optimizers such as Adam, Adagrad, RMSProp, Adafactor, and Lion have been widely used as alternatives to SGD style optimizers. These optimizers typically update model parameters using the sign of gradients, resulting in more stable convergence curves. The learning rate and the batch size are the most critical hyperparameters for optimizers, which require careful tuning to enable effective convergence. Previous research has shown that the optimal learning rate increases linearly or follows similar rules with batch size for SGD style optimizers. However, this conclusion is not applicable to Adam style optimizers. In this paper, we elucidate the connection between optimal learning rates and batch sizes for Adam style optimizers through both theoretical analysis and extensive experiments. First, we raise the scaling law between batch sizes and optimal learning rates in the sign of gradient case, in which we prove that the optimal learning rate first rises and then falls as the batch size increases. Moreover, the peak value of the surge will gradually move toward the larger batch size as training progresses. Second, we conducted experiments on various CV and NLP tasks and verified the correctness of the scaling law.

To improve the efficiency and sustainability of learning deep models, we propose CREST, the first scalable framework with rigorous theoretical guarantees to identify the most valuable examples for training non-convex models, particularly deep networks. To guarantee convergence to a stationary point of a non-convex function, CREST models the non-convex loss as a series of quadratic functions and extracts a coreset for each quadratic sub-region. In addition, to ensure faster convergence of stochastic gradient methods such as (mini-batch) SGD, CREST iteratively extracts multiple mini-batch coresets from larger random subsets of training data, to ensure nearly-unbiased gradients with small variances. Finally, to further improve scalability and efficiency, CREST identifies and excludes the examples that are learned from the coreset selection pipeline. Our extensive experiments on several deep networks trained on vision and NLP datasets, including CIFAR-10, CIFAR-100, TinyImageNet, and SNLI, confirm that CREST speeds up training deep networks on very large datasets, by 1.7x to 2.5x with minimum loss in the performance. By analyzing the learning difficulty of the subsets selected by CREST, we show that deep models benefit the most by learning from subsets of increasing difficulty levels.

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.

Deep Gradient Leakage (DGL) is a highly effective attack that recovers private training images from gradient vectors. This attack casts significant privacy challenges on distributed learning from clients with sensitive data, where clients are required to share gradients. Defending against such attacks requires but lacks an understanding of when and how privacy leakage happens, mostly because of the black-box nature of deep networks. In this paper, we propose a novel Inversion Influence Function (I^2F) that establishes a closed-form connection between the recovered images and the private gradients by implicitly solving the DGL problem. Compared to directly solving DGL, I^2F is scalable for analyzing deep networks, requiring only oracle access to gradients and Jacobian-vector products. We empirically demonstrate that I^2F effectively approximated the DGL generally on different model architectures, datasets, attack implementations, and noise-based defenses. With this novel tool, we provide insights into effective gradient perturbation directions, the unfairness of privacy protection, and privacy-preferred model initialization. Our codes are provided in https://github.com/illidanlab/inversion-influence-function.

Deep convolutional neural networks (CNNs) based approaches have achieved great performance in video matting. Many of these methods can produce accurate alpha estimation for the target body but typically yield fuzzy or incorrect target edges. This is usually caused by the following reasons: 1) The current methods always treat the target body and edge indiscriminately; 2) Target body dominates the whole target with only a tiny proportion target edge. For the first problem, we propose a CNN-based module that separately optimizes the matting target body and edge (SOBE). And on this basis, we introduce a real-time, trimap-free video matting method via progressively optimizing the matting target body and edge (POBEVM) that is much lighter than previous approaches and achieves significant improvements in the predicted target edge. For the second problem, we propose an Edge-L1-Loss (ELL) function that enforces our network on the matting target edge. Experiments demonstrate our method outperforms prior trimap-free matting methods on both Distinctions-646 (D646) and VideoMatte240K(VM) dataset, especially in edge optimization.

Real-world datasets exhibit imbalances of varying types and degrees. Several techniques based on re-weighting and margin adjustment of loss are often used to enhance the performance of neural networks, particularly on minority classes. In this work, we analyze the class-imbalanced learning problem by examining the loss landscape of neural networks trained with re-weighting and margin-based techniques. Specifically, we examine the spectral density of Hessian of class-wise loss, through which we observe that the network weights converge to a saddle point in the loss landscapes of minority classes. Following this observation, we also find that optimization methods designed to escape from saddle points can be effectively used to improve generalization on minority classes. We further theoretically and empirically demonstrate that Sharpness-Aware Minimization (SAM), a recent technique that encourages convergence to a flat minima, can be effectively used to escape saddle points for minority classes. Using SAM results in a 6.2\% increase in accuracy on the minority classes over the state-of-the-art Vector Scaling Loss, leading to an overall average increase of 4\% across imbalanced datasets. The code is available at: https://github.com/val-iisc/Saddle-LongTail.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.