Daily Papers

This paper investigates the limitations of the normalization in attention mechanisms. We begin with a theoretical framework that enables the identification of the model's selective ability and the geometric separation involved in token selection. Our analysis includes explicit bounds on distances and separation criteria for token vectors under softmax scaling. Through experiments with pre-trained GPT-2 model, we empirically validate our theoretical results and analyze key behaviors of the attention mechanism. Notably, we demonstrate that as the number of selected tokens increases, the model's ability to distinguish informative tokens declines, often converging toward a uniform selection pattern. We also show that gradient sensitivity under softmax normalization presents challenges during training, especially at low temperature settings. These findings advance current understanding of softmax-based attention mechanism and motivate the need for more robust normalization and selection strategies in future attention architectures.

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.

As deep learning continues to advance, the transparency of neural network decision-making remains a critical challenge, limiting trust and applicability in high-stakes domains. Class Activation Mapping (CAM) techniques have emerged as a key approach toward visualizing model decisions, yet existing methods face inherent trade-offs. Gradient-based CAM variants suffer from sensitivity to gradient perturbations due to gradient noise, leading to unstable and unreliable explanations. Conversely, gradient-free approaches mitigate gradient instability but incur significant computational overhead and inference latency. To address these limitations, we propose a Cluster Filter Class Activation Map (CF-CAM) technique, a novel framework that reintroduces gradient-based weighting while enhancing robustness against gradient noise. CF-CAM utilizes hierarchical importance weighting strategy to balance discriminative feature preservation and noise elimination. A density-aware channel clustering method via Density-Based Spatial Clustering of Applications with Noise (DBSCAN) groups semantically relevant feature channels and discard noise-prone activations. Additionally, cluster-conditioned gradient filtering leverages Gaussian filters to refine gradient signals, preserving edge-aware localization while suppressing noise impact. Experiment results demonstrate that CF-CAM achieves superior interpretability performance while enhancing computational efficiency, outperforming state-of-the-art CAM methods in faithfulness and robustness. By effectively mitigating gradient instability without excessive computational cost, CF-CAM provides a competitive solution for enhancing the interpretability of deep neural networks in critical applications such as autonomous driving and medical diagnosis.

Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet clinical uptake requires regulator-ready interpretability. We present the first technical survey of interpretable graph based models for multimodal biomedical data, covering 26 studies published between Jan 2019 and Sep 2024. Most target disease classification, notably cancer and rely on static graphs from simple similarity measures, while graph-native explainers are rare; post-hoc methods adapted from non-graph domains such as gradient saliency, and SHAP predominate. We group existing approaches into four interpretability families, outline trends such as graph-in-graph hierarchies, knowledge-graph edges, and dynamic topology learning, and perform a practical benchmark. Using an Alzheimer disease cohort, we compare Sensitivity Analysis, Gradient Saliency, SHAP and Graph Masking. SHAP and Sensitivity Analysis recover the broadest set of known AD pathways and Gene-Ontology terms, whereas Gradient Saliency and Graph Masking surface complementary metabolic and transport signatures. Permutation tests show all four beat random gene sets, but with distinct trade-offs: SHAP and Graph Masking offer deeper biology at higher compute cost, while Gradient Saliency and Sensitivity Analysis are quicker though coarser. We also provide a step-by-step flowchart covering graph construction, explainer choice and resource budgeting to help researchers balance transparency and performance. This review synthesises the state of interpretable graph learning for multimodal medicine, benchmarks leading techniques, and charts future directions, from advanced XAI tools to under-studied diseases, serving as a concise reference for method developers and translational scientists.

Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered as a promising approach to address some of the challenging problems because of their superior generalization capabilities across domains. The effectiveness of the models and the accuracy of the applications is contingent upon their efficient execution on the underlying hardware infrastructure. Specialized AI accelerator hardware systems have recently become available for accelerating AI applications. However, the comparative performance of these AI accelerators on large language models has not been previously studied. In this paper, we systematically study LLMs on multiple AI accelerators and GPUs and evaluate their performance characteristics for these models. We evaluate these systems with (i) a micro-benchmark using a core transformer block, (ii) a GPT- 2 model, and (iii) an LLM-driven science use case, GenSLM. We present our findings and analyses of the models' performance to better understand the intrinsic capabilities of AI accelerators. Furthermore, our analysis takes into account key factors such as sequence lengths, scaling behavior, sparsity, and sensitivity to gradient accumulation steps.

Existing customization methods require access to multiple reference examples to align pre-trained diffusion probabilistic models (DPMs) with user-provided concepts. This paper aims to address the challenge of DPM customization when the only available supervision is a differentiable metric defined on the generated contents. Since the sampling procedure of DPMs involves recursive calls to the denoising UNet, na\"ive gradient backpropagation requires storing the intermediate states of all iterations, resulting in extremely high memory consumption. To overcome this issue, we propose a novel method AdjointDPM, which first generates new samples from diffusion models by solving the corresponding probability-flow ODEs. It then uses the adjoint sensitivity method to backpropagate the gradients of the loss to the models' parameters (including conditioning signals, network weights, and initial noises) by solving another augmented ODE. To reduce numerical errors in both the forward generation and gradient backpropagation processes, we further reparameterize the probability-flow ODE and augmented ODE as simple non-stiff ODEs using exponential integration. Finally, we demonstrate the effectiveness of AdjointDPM on three interesting tasks: converting visual effects into identification text embeddings, finetuning DPMs for specific types of stylization, and optimizing initial noise to generate adversarial samples for security auditing.

Policy optimization methods are powerful algorithms in Reinforcement Learning (RL) for their flexibility to deal with policy parameterization and ability to handle model misspecification. However, these methods usually suffer from slow convergence rates and poor sample complexity. Hence it is important to design provably sample efficient algorithms for policy optimization. Yet, recent advances for this problems have only been successful in tabular and linear setting, whose benign structures cannot be generalized to non-linearly parameterized policies. In this paper, we address this problem by leveraging recent advances in value-based algorithms, including bounded eluder-dimension and online sensitivity sampling, to design a low-switching sample-efficient policy optimization algorithm, LPO, with general non-linear function approximation. We show that, our algorithm obtains an varepsilon-optimal policy with only O(text{poly(d)}{varepsilon^3}) samples, where varepsilon is the suboptimality gap and d is a complexity measure of the function class approximating the policy. This drastically improves previously best-known sample bound for policy optimization algorithms, O(text{poly(d)}{varepsilon^8}). Moreover, we empirically test our theory with deep neural nets to show the benefits of the theoretical inspiration.

Temporal action localization (TAL), which involves recognizing and locating action instances, is a challenging task in video understanding. Most existing approaches directly predict action classes and regress offsets to boundaries, while overlooking the discrepant importance of each frame. In this paper, we propose an Action Sensitivity Learning framework (ASL) to tackle this task, which aims to assess the value of each frame and then leverage the generated action sensitivity to recalibrate the training procedure. We first introduce a lightweight Action Sensitivity Evaluator to learn the action sensitivity at the class level and instance level, respectively. The outputs of the two branches are combined to reweight the gradient of the two sub-tasks. Moreover, based on the action sensitivity of each frame, we design an Action Sensitive Contrastive Loss to enhance features, where the action-aware frames are sampled as positive pairs to push away the action-irrelevant frames. The extensive studies on various action localization benchmarks (i.e., MultiThumos, Charades, Ego4D-Moment Queries v1.0, Epic-Kitchens 100, Thumos14 and ActivityNet1.3) show that ASL surpasses the state-of-the-art in terms of average-mAP under multiple types of scenarios, e.g., single-labeled, densely-labeled and egocentric.

Vision Transformers (ViTs), with their ability to model long-range dependencies through self-attention mechanisms, have become a standard architecture in computer vision. However, the interpretability of these models remains a challenge. To address this, we propose LeGrad, an explainability method specifically designed for ViTs. LeGrad computes the gradient with respect to the attention maps of ViT layers, considering the gradient itself as the explainability signal. We aggregate the signal over all layers, combining the activations of the last as well as intermediate tokens to produce the merged explainability map. This makes LeGrad a conceptually simple and an easy-to-implement tool for enhancing the transparency of ViTs. We evaluate LeGrad in challenging segmentation, perturbation, and open-vocabulary settings, showcasing its versatility compared to other SotA explainability methods demonstrating its superior spatial fidelity and robustness to perturbations. A demo and the code is available at https://github.com/WalBouss/LeGrad.

To adopt convolutional neural networks (CNN) for a range of resource-constrained targets, it is necessary to compress the CNN models by performing quantization, whereby precision representation is converted to a lower bit representation. To overcome problems such as sensitivity of the training dataset, high computational requirements, and large time consumption, post-training quantization methods that do not require retraining have been proposed. In addition, to compensate for the accuracy drop without retraining, previous studies on post-training quantization have proposed several complementary methods: calibration, schemes, clipping, granularity, and mixed-precision. To generate a quantized model with minimal error, it is necessary to study all possible combinations of the methods because each of them is complementary and the CNN models have different characteristics. However, an exhaustive or a heuristic search is either too time-consuming or suboptimal. To overcome this challenge, we propose an auto-tuner known as Quantune, which builds a gradient tree boosting model to accelerate the search for the configurations of quantization and reduce the quantization error. We evaluate and compare Quantune with the random, grid, and genetic algorithms. The experimental results show that Quantune reduces the search time for quantization by approximately 36.5x with an accuracy loss of 0.07 ~ 0.65% across six CNN models, including the fragile ones (MobileNet, SqueezeNet, and ShuffleNet). To support multiple targets and adopt continuously evolving quantization works, Quantune is implemented on a full-fledged compiler for deep learning as an open-sourced project.

The emergence of In-Context Learning (ICL) in LLMs remains a significant phenomenon with little understanding. To explain ICL, recent studies try to theoretically connect it to Gradient Descent (GD). We ask, does this connection hold up in actual pre-trained models? We highlight the limiting assumptions in prior works that make their context considerably different from the practical context in which language models are trained. For example, the theoretical hand-constructed weights used in these studies have properties that don't match those of real LLMs. Furthermore, their experimental verification uses ICL objective (training models explicitly for ICL), which differs from the emergent ICL in the wild. We also look for evidence in real models. We observe that ICL and GD have different sensitivity to the order in which they observe demonstrations. Finally, we probe and compare the ICL vs. GD hypothesis in a natural setting. We conduct comprehensive empirical analyses on language models pre-trained on natural data (LLaMa-7B). Our comparisons of three performance metrics highlight the inconsistent behavior of ICL and GD as a function of various factors such as datasets, models, and the number of demonstrations. We observe that ICL and GD modify the output distribution of language models differently. These results indicate that the equivalence between ICL and GD remains an open hypothesis and calls for further studies.

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.

Large Vision-Language Models (VLMs) enable strong multimodal reasoning but incur heavy inference costs from redundant visual tokens. Token pruning alleviates this issue, yet existing approaches face limitations. Attention-based methods rely on raw attention scores, which are often unstable across layers and heads and can lead to redundant selections. Diversity-based methods improve robustness by selecting tokens far apart in feature space but risk dropping regions needed for accurate prediction. We propose \ours, a training-free framework built on a simple intuition: tokens with higher sensitivity are more likely to influence the model's output, and they should also capture complementary visual cues rather than overlapping information. To achieve this, we estimate token sensitivity using zeroth-order perturbations at the projection layer, a shallow and computationally light component of the model. This approach measures how small random perturbations affect the projection outputs, allowing us to approximate each token's influence through lightweight forward passes without backpropagation. Extensive experiments across multiple VLMs and benchmarks show that \ours consistently outperforms prior methods, pruning up to 94.4\% of tokens while maintaining accuracy and significantly improving efficiency, achieving up to 2.30x faster end-to-end inference over the baseline.

Policy gradient is a widely utilized and foundational algorithm in the field of reinforcement learning (RL). Renowned for its convergence guarantees and stability compared to other RL algorithms, its practical application is often hindered by sensitivity to hyper-parameters, particularly the step-size. In this paper, we introduce the integration of the Polyak step-size in RL, which automatically adjusts the step-size without prior knowledge. To adapt this method to RL settings, we address several issues, including unknown f* in the Polyak step-size. Additionally, we showcase the performance of the Polyak step-size in RL through experiments, demonstrating faster convergence and the attainment of more stable policies.

DARTS is a popular algorithm for neural architecture search (NAS). Despite its great advantage in search efficiency, DARTS often suffers weak stability, which reflects in the large variation among individual trials as well as the sensitivity to the hyper-parameters of the search process. This paper owes such instability to an optimization gap between the super-network and its sub-networks, namely, improving the validation accuracy of the super-network does not necessarily lead to a higher expectation on the performance of the sampled sub-networks. Then, we point out that the gap is due to the inaccurate estimation of the architectural gradients, based on which we propose an amended estimation method. Mathematically, our method guarantees a bounded error from the true gradients while the original estimation does not. Our approach bridges the gap from two aspects, namely, amending the estimation on the architectural gradients, and unifying the hyper-parameter settings in the search and re-training stages. Experiments on CIFAR10 and ImageNet demonstrate that our approach largely improves search stability and, more importantly, enables DARTS-based approaches to explore much larger search spaces that have not been investigated before.

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.

Extreme low-bit quantization is critical for efficiently deploying Large Language Models (LLMs), yet it often leads to severe performance degradation at 2-bits and even 4-bits (e.g., MXFP4). We present SignRoundV2, a post-training quantization framework that is highly effective even without mixed-precision. SignRoundV2 introduces (1) a fast sensitivity metric that combines gradient information with quantization-induced deviations to guide layer-wise bit allocation, and (2) a lightweight pre-tuning search for quantization scales to improve extremely low-bit quantization. These components allow SignRoundV2 to close the gap with full-precision models. Extensive experiments indicate that our method sustains competitive accuracy for LLMs, achieving production-grade performance with about 1 percent variance at 4-5 bits and strong results even at 2 bits. The implementation is available at https://github.com/intel/auto-round.

Large Language Models (LLMs) are increasingly deployed in high-risk domains. However, state-of-the-art LLMs often produce hallucinations, raising serious concerns about their reliability. Prior work has explored adversarial attacks for hallucination elicitation in LLMs, but it often produces unrealistic prompts, either by inserting gibberish tokens or by altering the original meaning. As a result, these approaches offer limited insight into how hallucinations may occur in practice. While adversarial attacks in computer vision often involve realistic modifications to input images, the problem of finding realistic adversarial prompts for eliciting LLM hallucinations has remained largely underexplored. To address this gap, we propose Semantically Equivalent and Coherent Attacks (SECA) to elicit hallucinations via realistic modifications to the prompt that preserve its meaning while maintaining semantic coherence. Our contributions are threefold: (i) we formulate finding realistic attacks for hallucination elicitation as a constrained optimization problem over the input prompt space under semantic equivalence and coherence constraints; (ii) we introduce a constraint-preserving zeroth-order method to effectively search for adversarial yet feasible prompts; and (iii) we demonstrate through experiments on open-ended multiple-choice question answering tasks that SECA achieves higher attack success rates while incurring almost no semantic equivalence or semantic coherence errors compared to existing methods. SECA highlights the sensitivity of both open-source and commercial gradient-inaccessible LLMs to realistic and plausible prompt variations. Code is available at https://github.com/Buyun-Liang/SECA.

Early identification of sensitive cancer cell lines is essential for accelerating biomarker discovery and elucidating drug mechanism of action. Given the efficiency and low cost of small-scale drug screens relative to extensive omics profiling, we compared drug-response panel (DRP) descriptors against omics features for predictive capacity using gradient boosting tree models across the GDSC and CCLE drug response datasets. DRP descriptors consistently outperformed omics data across key performance metrics, with variable performance across different drugs. Using complementary explainability approaches, we confirmed known MAPK-inhibitor sensitivity signatures, and identified novel potential biomarker candidates for MEK1/2 and BTK/MNK inhibitors. Lastly, to demonstrate the utility of this approach in distinguishing phenotypes, we applied our models to the breast cancer line MCF7 versus the non-tumorigenic MCF10A, and successfully identified compounds that selectively inhibit MCF7 while sparing the non-tumorigenic MCF10A. This methodology, developed using focused drug and cell line panels, supports early-stage drug development by facilitating rational cell line selection and compound prioritisation, enabling more efficient biomarker identification and candidate assessment.

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.

Most value function learning algorithms in reinforcement learning are based on the mean squared (projected) Bellman error. However, squared errors are known to be sensitive to outliers, both skewing the solution of the objective and resulting in high-magnitude and high-variance gradients. To control these high-magnitude updates, typical strategies in RL involve clipping gradients, clipping rewards, rescaling rewards, or clipping errors. While these strategies appear to be related to robust losses -- like the Huber loss -- they are built on semi-gradient update rules which do not minimize a known loss. In this work, we build on recent insights reformulating squared Bellman errors as a saddlepoint optimization problem and propose a saddlepoint reformulation for a Huber Bellman error and Absolute Bellman error. We start from a formalization of robust losses, then derive sound gradient-based approaches to minimize these losses in both the online off-policy prediction and control settings. We characterize the solutions of the robust losses, providing insight into the problem settings where the robust losses define notably better solutions than the mean squared Bellman error. Finally, we show that the resulting gradient-based algorithms are more stable, for both prediction and control, with less sensitivity to meta-parameters.

Serving Large Language Models (LLMs) is costly. However, post-training weight quantization can address this problem by both compressing their sizes for limited memory and saving bandwidth for acceleration. As not all weight dimensions are equally important, those methods typically rely on a sensitivity metric, which indicates the element-wise influence of weights on loss function and is used to preprocess original weights for better quantization. In this work, we conduct an empirical study on the accuracy of the sensitivity metric, and find that existing gradient and Hessian based metrics are very inaccurate: they underestimate quantization's impact on the loss function by orders of magnitude, mainly due to the small convergence radius of local 2nd order approximation, \ie, gradient and Hessian term in Taylor's formula. To tackle this problem, we propose Post-quantization Integral (PQI), an accurate metric to estimate posterior sensitivity in a fine-grained manner. To leverage this accurate metric, we further propose ReQuant, a simple yet powerful framework that mainly consists of two Dense-and-Sparse detach components: self-adaptive outlier selection and step-wise significant weights detach. Results show that ReQuant boosts state-of-the-art post-training quantization methods, with a pronounced improvement of 2.66 perplexity gain on Llama 3.2 1B with QTIP.

State-of-the-art approaches for training Differentially Private (DP) Deep Neural Networks (DNN) face difficulties to estimate tight bounds on the sensitivity of the network's layers, and instead rely on a process of per-sample gradient clipping. This clipping process not only biases the direction of gradients but also proves costly both in memory consumption and in computation. To provide sensitivity bounds and bypass the drawbacks of the clipping process, we propose to rely on Lipschitz constrained networks. Our theoretical analysis reveals an unexplored link between the Lipschitz constant with respect to their input and the one with respect to their parameters. By bounding the Lipschitz constant of each layer with respect to its parameters, we prove that we can train these networks with privacy guarantees. Our analysis not only allows the computation of the aforementioned sensitivities at scale, but also provides guidance on how to maximize the gradient-to-noise ratio for fixed privacy guarantees. The code has been released as a Python package available at https://github.com/Algue-Rythme/lip-dp

Detecting plagiarism involves finding similar items in two different sources. In this article, we propose a novel method for detecting plagiarism that is based on attention mechanism-based long short-term memory (LSTM) and bidirectional encoder representations from transformers (BERT) word embedding, enhanced with optimized differential evolution (DE) method for pre-training and a focal loss function for training. BERT could be included in a downstream task and fine-tuned as a task-specific BERT can be included in a downstream task and fine-tuned as a task-specific structure, while the trained BERT model is capable of detecting various linguistic characteristics. Unbalanced classification is one of the primary issues with plagiarism detection. We suggest a focal loss-based training technique that carefully learns minority class instances to solve this. Another issue that we tackle is the training phase itself, which typically employs gradient-based methods like back-propagation for the learning process and thus suffers from some drawbacks, including sensitivity to initialization. To initiate the BP process, we suggest a novel DE algorithm that makes use of a clustering-based mutation operator. Here, a winning cluster is identified for the current DE population, and a fresh updating method is used to produce potential answers. We evaluate our proposed approach on three benchmark datasets ( MSRP, SNLI, and SemEval2014) and demonstrate that it performs well when compared to both conventional and population-based methods.

This paper comprehensively evaluates several recently proposed optimizers for 4-bit training, revealing that low-bit precision amplifies sensitivity to learning rates and often causes unstable gradient norms, leading to divergence at higher learning rates. Among these, SPAM, a recent optimizer featuring momentum reset and spike-aware gradient clipping, achieves the best performance across various bit levels, but struggles to stabilize gradient norms, requiring careful learning rate tuning. To address these limitations, we propose Stable-SPAM, which incorporates enhanced gradient normalization and clipping techniques. In particular, Stable-SPAM (1) adaptively updates the clipping threshold for spiked gradients by tracking their historical maxima; (2) normalizes the entire gradient matrix based on its historical l_2-norm statistics; and (3) inherits momentum reset from SPAM to periodically reset the first and second moments of Adam, mitigating the accumulation of spiked gradients. Extensive experiments show that Stable-SPAM effectively stabilizes gradient norms in 4-bit LLM training, delivering superior performance compared to Adam and SPAM. Notably, our 4-bit LLaMA-1B model trained with Stable-SPAM outperforms the BF16 LLaMA-1B trained with Adam by up to 2 perplexity. Furthermore, when both models are trained in 4-bit, Stable-SPAM achieves the same loss as Adam while requiring only about half the training steps. Code is available at https://github.com/TianjinYellow/StableSPAM.git.

As Large Language Models (LLMs) grow dramatically in size, there is an increasing trend in compressing and speeding up these models. Previous studies have highlighted the usefulness of gradients for importance scoring in neural network compressing, especially in pruning medium-size networks. However, the substantial memory requirements involved in calculating gradients with backpropagation impede the utilization of gradients in guiding LLM pruning. As a result, most pruning strategies for LLMs rely on gradient-free criteria, such as weight magnitudes or a mix of magnitudes and activations. In this paper, we devise a hybrid pruning criterion, which appropriately integrates magnitude, activation, and gradient to capitalize on feature map sensitivity for pruning LLMs. To overcome memory requirement barriers, we estimate gradients using only forward passes. Based on this, we propose a Memory-effIcieNt structured prunIng procedure for LLMs (MINI-LLM) to remove no-critical channels and multi-attention heads. Experimental results demonstrate the superior performance of MINI-LLM over existing gradient-free methods on three LLMs: LLaMA, BLOOM, and OPT across various downstream tasks (classification, multiple-choice, and generation), while MINI-LLM maintains a GPU memory footprint akin to gradient-free methods.

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.

Pruning is an effective method to reduce the memory footprint and FLOPs associated with neural network models. However, existing structured-pruning methods often result in significant accuracy degradation for moderate pruning levels. To address this problem, we introduce a new Hessian Aware Pruning (HAP) method coupled with a Neural Implant approach that uses second-order sensitivity as a metric for structured pruning. The basic idea is to prune insensitive components and to use a Neural Implant for moderately sensitive components, instead of completely pruning them. For the latter approach, the moderately sensitive components are replaced with with a low rank implant that is smaller and less computationally expensive than the original component. We use the relative Hessian trace to measure sensitivity, as opposed to the magnitude based sensitivity metric commonly used in the literature. We test HAP for both computer vision tasks and natural language tasks, and we achieve new state-of-the-art results. Specifically, HAP achieves less than 0.1%/0.5% degradation on PreResNet29/ResNet50 (CIFAR-10/ImageNet) with more than 70\%/50\% of parameters pruned. Meanwhile, HAP also achieves significantly better performance (up to 0.8\% with 60\% of parameters pruned) as compared to gradient based method for head pruning on transformer-based models. The framework has been open sourced and available online.

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

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.

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.

Recent work found that LLMs are sensitive to a wide range of arbitrary prompt dimensions, including the type of delimiters, answer enumerators, instruction wording, and more. This throws into question popular single-prompt evaluation practices. We present DOVE (Dataset Of Variation Evaluation) a large-scale dataset containing prompt perturbations of various evaluation benchmarks. In contrast to previous work, we examine LLM sensitivity from an holistic perspective, and assess the joint effects of perturbations along various dimensions, resulting in thousands of perturbations per instance. We evaluate several model families against DOVE, leading to several findings, including efficient methods for choosing well-performing prompts, observing that few-shot examples reduce sensitivity, and identifying instances which are inherently hard across all perturbations. DOVE consists of more than 250M prompt perturbations and model outputs, which we make publicly available to spur a community-wide effort toward meaningful, robust, and efficient evaluation. Browse the data, contribute, and more: https://slab-nlp.github.io/DOVE/

Large language models (LLMs) have revolutionized lots of fields of research. Although it is well-known that fine-tuning is essential for enhancing the capabilities of LLMs, existing research suggests that there is potential redundancy in the fine-tuning process and therefore proposes to update only a subset of parameters. However, these methods fail to leverage the task-specific information to identify important parameters during training. Based on the insight that gradients inherently contain information on task-specific data, we propose Gradient-Mask Tuning (GMT), a method that selectively updates parameters during training based on their gradient information. Specifically, we compute the absolute values of the gradients and apply masking to those with relatively smaller magnitudes. Our empirical results across various tasks demonstrate that GMT not only outperforms traditional fine-tuning methods but also elevates the upper limits of LLM performance. Further analysis indicates that GMT exhibits insensitivity to mask ratio and possesses computational efficiency comparable to vanilla SFT.

Large language models (LLMs) have demonstrated impressive capabilities across various tasks, but their performance is highly sensitive to the prompts utilized. This variability poses challenges for accurate assessment and user satisfaction. Current research frequently overlooks instance-level prompt variations and their implications on subjective evaluations. To address these shortcomings, we introduce ProSA, a framework designed to evaluate and comprehend prompt sensitivity in LLMs. ProSA incorporates a novel sensitivity metric, PromptSensiScore, and leverages decoding confidence to elucidate underlying mechanisms. Our extensive study, spanning multiple tasks, uncovers that prompt sensitivity fluctuates across datasets and models, with larger models exhibiting enhanced robustness. We observe that few-shot examples can alleviate this sensitivity issue, and subjective evaluations are also susceptible to prompt sensitivities, particularly in complex, reasoning-oriented tasks. Furthermore, our findings indicate that higher model confidence correlates with increased prompt robustness. We believe this work will serve as a helpful tool in studying prompt sensitivity of LLMs. The project is released at: https://github.com/open-compass/ProSA .

Large Language Models (LLMs) changed the way we design and interact with software systems. Their ability to process and extract information from text has drastically improved productivity in a number of routine tasks. Developers that want to include these models in their software stack, however, face a dreadful challenge: debugging LLMs' inconsistent behavior across minor variations of the prompt. We therefore introduce two metrics for classification tasks, namely sensitivity and consistency, which are complementary to task performance. First, sensitivity measures changes of predictions across rephrasings of the prompt, and does not require access to ground truth labels. Instead, consistency measures how predictions vary across rephrasings for elements of the same class. We perform an empirical comparison of these metrics on text classification tasks, using them as guideline for understanding failure modes of the LLM. Our hope is that sensitivity and consistency will be helpful to guide prompt engineering and obtain LLMs that balance robustness with performance.

We consider objective evaluation measures of saliency explanations for complex black-box machine learning models. We propose simple robust variants of two notions that have been considered in recent literature: (in)fidelity, and sensitivity. We analyze optimal explanations with respect to both these measures, and while the optimal explanation for sensitivity is a vacuous constant explanation, the optimal explanation for infidelity is a novel combination of two popular explanation methods. By varying the perturbation distribution that defines infidelity, we obtain novel explanations by optimizing infidelity, which we show to out-perform existing explanations in both quantitative and qualitative measurements. Another salient question given these measures is how to modify any given explanation to have better values with respect to these measures. We propose a simple modification based on lowering sensitivity, and moreover show that when done appropriately, we could simultaneously improve both sensitivity as well as fidelity.

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.

Deep neural networks include millions of learnable parameters, making their deployment over resource-constrained devices problematic. SeReNe (Sensitivity-based Regularization of Neurons) is a method for learning sparse topologies with a structure, exploiting neural sensitivity as a regularizer. We define the sensitivity of a neuron as the variation of the network output with respect to the variation of the activity of the neuron. The lower the sensitivity of a neuron, the less the network output is perturbed if the neuron output changes. By including the neuron sensitivity in the cost function as a regularization term, we areable to prune neurons with low sensitivity. As entire neurons are pruned rather then single parameters, practical network footprint reduction becomes possible. Our experimental results on multiple network architectures and datasets yield competitive compression ratios with respect to state-of-the-art references.

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.

Large language models (LLMs) now write code in settings where misreading a single word can break safety or cost money, yet we still expect them to overlook stray typos. To probe where useful robustness ends and harmful insensitivity begins, we compile 50 LeetCode problems and craft three minimal prompt perturbations that should vary in importance: (i) progressive underspecification deleting 10 % of words per step; (ii) lexical flip swapping a pivotal quantifier ("max" to "min"); and (iii) jargon inflation replacing a common noun with an obscure technical synonym. Six frontier models, including three "reasoning-tuned" versions, solve each mutated prompt, and their Python outputs are checked against the original test suites to reveal whether they reused the baseline solution or adapted. Among 11 853 generations we observe a sharp double asymmetry. Models remain correct in 85 % of cases even after 90 % of the prompt is missing, showing over-robustness to underspecification, yet only 54 % react to a single quantifier flip that reverses the task, with reasoning-tuned variants even less sensitive than their bases. Jargon edits lie in between, passing through 56 %. Current LLMs thus blur the line between harmless noise and meaning - changing edits, often treating both as ignorable. Masking salient anchors such as function names can force re - evaluation. We advocate evaluation and training protocols that reward differential sensitivity: stay steady under benign noise but adapt - or refuse - when semantics truly change.

Quantization is an effective method for reducing memory footprint and inference time of Neural Networks, e.g., for efficient inference in the cloud, especially at the edge. However, ultra low precision quantization could lead to significant degradation in model generalization. A promising method to address this is to perform mixed-precision quantization, where more sensitive layers are kept at higher precision. However, the search space for a mixed-precision quantization is exponential in the number of layers. Recent work has proposed HAWQ, a novel Hessian based framework, with the aim of reducing this exponential search space by using second-order information. While promising, this prior work has three major limitations: (i) HAWQV1 only uses the top Hessian eigenvalue as a measure of sensitivity and do not consider the rest of the Hessian spectrum; (ii) HAWQV1 approach only provides relative sensitivity of different layers and therefore requires a manual selection of the mixed-precision setting; and (iii) HAWQV1 does not consider mixed-precision activation quantization. Here, we present HAWQV2 which addresses these shortcomings. For (i), we perform a theoretical analysis showing that a better sensitivity metric is to compute the average of all of the Hessian eigenvalues. For (ii), we develop a Pareto frontier based method for selecting the exact bit precision of different layers without any manual selection. For (iii), we extend the Hessian analysis to mixed-precision activation quantization. We have found this to be very beneficial for object detection. We show that HAWQV2 achieves new state-of-the-art results for a wide range of tasks.

Existing methods to recover model accuracy on analog-digital hardware in the presence of quantization and analog noise include noise-injection training. However, it can be slow in practice, incurring high computational costs, even when starting from pretrained models. We introduce the Sensitivity-Aware Finetuning (SAFT) approach that identifies noise sensitive layers in a model, and uses the information to freeze specific layers for noise-injection training. Our results show that SAFT achieves comparable accuracy to noise-injection training and is 2x to 8x faster.

Transformers achieve state-of-the-art accuracy and robustness across many tasks, but an understanding of the inductive biases that they have and how those biases are different from other neural network architectures remains elusive. Various neural network architectures such as fully connected networks have been found to have a simplicity bias towards simple functions of the data; one version of this simplicity bias is a spectral bias to learn simple functions in the Fourier space. In this work, we identify the notion of sensitivity of the model to random changes in the input as a notion of simplicity bias which provides a unified metric to explain the simplicity and spectral bias of transformers across different data modalities. We show that transformers have lower sensitivity than alternative architectures, such as LSTMs, MLPs and CNNs, across both vision and language tasks. We also show that low-sensitivity bias correlates with improved robustness; furthermore, it can also be used as an efficient intervention to further improve the robustness of transformers.

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.

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.

Adversarially robust classifiers possess a trait that non-robust models do not -- Perceptually Aligned Gradients (PAG). Their gradients with respect to the input align well with human perception. Several works have identified PAG as a byproduct of robust training, but none have considered it as a standalone phenomenon nor studied its own implications. In this work, we focus on this trait and test whether Perceptually Aligned Gradients imply Robustness. To this end, we develop a novel objective to directly promote PAG in training classifiers and examine whether models with such gradients are more robust to adversarial attacks. Extensive experiments on multiple datasets and architectures validate that models with aligned gradients exhibit significant robustness, exposing the surprising bidirectional connection between PAG and robustness. Lastly, we show that better gradient alignment leads to increased robustness and harness this observation to boost the robustness of existing adversarial training techniques.

Recent work by Baratin et al. (2021) sheds light on an intriguing pattern that occurs during the training of deep neural networks: some layers align much more with data compared to other layers (where the alignment is defined as the euclidean product of the tangent features matrix and the data labels matrix). The curve of the alignment as a function of layer index (generally) exhibits an ascent-descent pattern where the maximum is reached for some hidden layer. In this work, we provide the first explanation for this phenomenon. We introduce the Equilibrium Hypothesis which connects this alignment pattern to signal propagation in deep neural networks. Our experiments demonstrate an excellent match with the theoretical predictions.

Real-world analog systems intrinsically suffer from noise that can impede model convergence and accuracy on a variety of deep learning models. We demonstrate that differentiable activations like GELU and SiLU enable robust propagation of gradients which help to mitigate analog quantization error that is ubiquitous to all analog systems. We perform analysis and training of convolutional, linear, and transformer networks in the presence of quantized noise. Here, we are able to demonstrate that continuously differentiable activation functions are significantly more noise resilient over conventional rectified activations. As in the case of ReLU, the error in gradients are 100x higher than those in GELU near zero. Our findings provide guidance for selecting appropriate activations to realize performant and reliable hardware implementations across several machine learning domains such as computer vision, signal processing, and beyond.

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.

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.

We study the problem of learning a single neuron with respect to the L_2^2-loss in the presence of adversarial label noise. We give an efficient algorithm that, for a broad family of activations including ReLUs, approximates the optimal L_2^2-error within a constant factor. Our algorithm applies under much milder distributional assumptions compared to prior work. The key ingredient enabling our results is a novel connection to local error bounds from optimization theory.

Mitigating explicit and implicit biases in Large Language Models (LLMs) has become a critical focus in the field of natural language processing. However, many current methodologies evaluate scenarios in isolation, without considering the broader context or the spectrum of potential biases within each situation. To address this, we introduce the Sensitivity Testing on Offensive Progressions (STOP) dataset, which includes 450 offensive progressions containing 2,700 unique sentences of varying severity that progressively escalate from less to more explicitly offensive. Covering a broad spectrum of 9 demographics and 46 sub-demographics, STOP ensures inclusivity and comprehensive coverage. We evaluate several leading closed- and open-source models, including GPT-4, Mixtral, and Llama 3. Our findings reveal that even the best-performing models detect bias inconsistently, with success rates ranging from 19.3% to 69.8%. We also demonstrate how aligning models with human judgments on STOP can improve model answer rates on sensitive tasks such as BBQ, StereoSet, and CrowS-Pairs by up to 191%, while maintaining or even improving performance. STOP presents a novel framework for assessing the complex nature of biases in LLMs, which will enable more effective bias mitigation strategies and facilitates the creation of fairer language models.

Machine learning requires data, but acquiring and labeling real-world data is challenging, expensive, and time-consuming. More importantly, it is nearly impossible to alter real data post-acquisition (e.g., change the illumination of a room), making it very difficult to measure how specific properties of the data affect performance. In this paper, we present AI Playground (AIP), an open-source, Unreal Engine-based tool for generating and labeling virtual image data. With AIP, it is trivial to capture the same image under different conditions (e.g., fidelity, lighting, etc.) and with different ground truths (e.g., depth or surface normal values). AIP is easily extendable and can be used with or without code. To validate our proposed tool, we generated eight datasets of otherwise identical but varying lighting and fidelity conditions. We then trained deep neural networks to predict (1) depth values, (2) surface normals, or (3) object labels and assessed each network's intra- and cross-dataset performance. Among other insights, we verified that sensitivity to different settings is problem-dependent. We confirmed the findings of other studies that segmentation models are very sensitive to fidelity, but we also found that they are just as sensitive to lighting. In contrast, depth and normal estimation models seem to be less sensitive to fidelity or lighting and more sensitive to the structure of the image. Finally, we tested our trained depth-estimation networks on two real-world datasets and obtained results comparable to training on real data alone, confirming that our virtual environments are realistic enough for real-world tasks.

In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients -- gradients of logits with respect to input -- noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach. First, we develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A). Second, we introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A). Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.

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.

This paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

Deep learning models are known to exhibit a strong texture bias, while human tends to rely heavily on global shape structure for object recognition. The current benchmark for evaluating a model's global shape bias is a set of style-transferred images with the assumption that resistance to the attack of style transfer is related to the development of global structure sensitivity in the model. In this work, we show that networks trained with style-transfer images indeed learn to ignore style, but its shape bias arises primarily from local detail. We provide a Disrupted Structure Testbench (DiST) as a direct measurement of global structure sensitivity. Our test includes 2400 original images from ImageNet-1K, each of which is accompanied by two images with the global shapes of the original image disrupted while preserving its texture via the texture synthesis program. We found that black{(1) models that performed well on the previous cue-conflict dataset do not fare well in the proposed DiST; (2) the supervised trained Vision Transformer (ViT) lose its global spatial information from positional embedding, leading to no significant advantages over Convolutional Neural Networks (CNNs) on DiST. While self-supervised learning methods, especially mask autoencoder significantly improves the global structure sensitivity of ViT. (3) Improving the global structure sensitivity is orthogonal to resistance to style-transfer, indicating that the relationship between global shape structure and local texture detail is not an either/or relationship. Training with DiST images and style-transferred images are complementary, and can be combined to train network together to enhance the global shape sensitivity and robustness of local features.} Our code will be hosted in github: https://github.com/leelabcnbc/DiST

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains.

Stochastic Gradient Descent (SGD) stands as a cornerstone optimization algorithm with proven real-world empirical successes but relatively limited theoretical understanding. Recent research has illuminated a key factor contributing to its practical efficacy: the implicit regularization it instigates. Several studies have investigated the linear stability property of SGD in the vicinity of a stationary point as a predictive proxy for sharpness and generalization error in overparameterized neural networks (Wu et al., 2022; Jastrzebski et al., 2019; Cohen et al., 2021). In this paper, we delve deeper into the relationship between linear stability and sharpness. More specifically, we meticulously delineate the necessary and sufficient conditions for linear stability, contingent on hyperparameters of SGD and the sharpness at the optimum. Towards this end, we introduce a novel coherence measure of the loss Hessian that encapsulates pertinent geometric properties of the loss function that are relevant to the linear stability of SGD. It enables us to provide a simplified sufficient condition for identifying linear instability at an optimum. Notably, compared to previous works, our analysis relies on significantly milder assumptions and is applicable for a broader class of loss functions than known before, encompassing not only mean-squared error but also cross-entropy loss.

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics. In particular, it implies a conceptually new cause for progressive sharpening and the edge of stability; we also highlight connections to other concepts in optimization and generalization including grokking, simplicity bias, and Sharpness-Aware Minimization. Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong opposing signals: consistent, large magnitude features which dominate the network output throughout training and provide gradients which point in opposite directions. Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We describe how to identify these groups, explore what sets them apart, and carefully study their effect on the network's optimization and behavior. We complement these experiments with a mechanistic explanation on a toy example of opposing signals and a theoretical analysis of a two-layer linear network on a simple model. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization, which we highlight via a case study of Adam versus SGD.

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.

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.

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.

As fine-tuning (FT) becomes increasingly impractical at scale, probing is emerging as the preferred evaluation protocol for self-supervised learning (SSL). Yet, the standard linear probing (LP) fails to adequately reflect the potential of models trained with Masked Image Modeling (MIM), due to the distributed nature of patch tokens. This motivates the need for attentive probing, an alternative that uses attention to selectively aggregate patch-level features. Despite its growing adoption, attentive probing remains under-explored, with existing methods suffering from excessive parameterization and poor computational efficiency. In this work, we revisit attentive probing through the lens of the accuracy-efficiency trade-off. We conduct a systematic study of existing methods, analyzing their mechanisms and benchmarking their performance. We introduce efficient probing (EP), a multi-query cross-attention mechanism that eliminates redundant projections, reduces the number of trainable parameters, and achieves up to a 10times speed-up over conventional multi-head attention. Despite its simplicity, EP outperforms LP and prior attentive probing approaches across seven benchmarks, generalizes well beyond MIM to diverse pre-training paradigms, produces interpretable attention maps, and achieves strong gains in low-shot and layer-wise settings. Code available at https://github.com/billpsomas/efficient-probing.

When making predictions, a language model must trade off how much it relies on its context vs. its prior knowledge. Choosing how sensitive the model is to its context is a fundamental functionality, as it enables the model to excel at tasks like retrieval-augmented generation and question-answering. In this paper, we search for a knob which controls this sensitivity, determining whether language models answer from the context or their prior knowledge. To guide this search, we design a task for controllable context sensitivity. In this task, we first feed the model a context (Paris is in England) and a question (Where is Paris?); we then instruct the model to either use its prior or contextual knowledge and evaluate whether it generates the correct answer for both intents (either France or England). When fine-tuned on this task, instruction-tuned versions of Llama-3.1, Mistral-v0.3, and Gemma-2 can solve it with high accuracy (85-95%). Analyzing these high-performing models, we narrow down which layers may be important to context sensitivity using a novel linear time algorithm. Then, in each model, we identify a 1-D subspace in a single layer that encodes whether the model follows context or prior knowledge. Interestingly, while we identify this subspace in a fine-tuned model, we find that the exact same subspace serves as an effective knob in not only that model but also non-fine-tuned instruct and base models of that model family. Finally, we show a strong correlation between a model's performance and how distinctly it separates context-agreeing from context-ignoring answers in this subspace. These results suggest a single subspace facilitates how the model chooses between context and prior knowledge, hinting at a simple fundamental mechanism that controls this behavior.

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.

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

In today's heavily overparameterized models, the value of the training loss provides few guarantees on model generalization ability. Indeed, optimizing only the training loss value, as is commonly done, can easily lead to suboptimal model quality. Motivated by prior work connecting the geometry of the loss landscape and generalization, we introduce a novel, effective procedure for instead simultaneously minimizing loss value and loss sharpness. In particular, our procedure, Sharpness-Aware Minimization (SAM), seeks parameters that lie in neighborhoods having uniformly low loss; this formulation results in a min-max optimization problem on which gradient descent can be performed efficiently. We present empirical results showing that SAM improves model generalization across a variety of benchmark datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, finetuning tasks) and models, yielding novel state-of-the-art performance for several. Additionally, we find that SAM natively provides robustness to label noise on par with that provided by state-of-the-art procedures that specifically target learning with noisy labels. We open source our code at https://github.com/google-research/sam.

Prompt sensitivity, referring to the phenomenon where paraphrasing (i.e., repeating something written or spoken using different words) leads to significant changes in large language model (LLM) performance, has been widely accepted as a core limitation of LLMs. In this work, we revisit this issue and ask: Is the widely reported high prompt sensitivity truly an inherent weakness of LLMs, or is it largely an artifact of evaluation processes? To answer this question, we systematically evaluate 7 LLMs (e.g., GPT and Gemini family) across 6 benchmarks, including both multiple-choice and open-ended tasks on 12 diverse prompt templates. We find that much of the prompt sensitivity stems from heuristic evaluation methods, including log-likelihood scoring and rigid answer matching, which often overlook semantically correct responses expressed through alternative phrasings, such as synonyms or paraphrases. When we adopt LLM-as-a-Judge evaluations, we observe a substantial reduction in performance variance and a consistently higher correlation in model rankings across prompts. Our findings suggest that modern LLMs are more robust to prompt templates than previously believed, and that prompt sensitivity may be more an artifact of evaluation than a flaw in the models.

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.

This paper introduces a new parameterization of deep neural networks (both fully-connected and convolutional) with guaranteed ell^2 Lipschitz bounds, i.e. limited sensitivity to input perturbations. The Lipschitz guarantees are equivalent to the tightest-known bounds based on certification via a semidefinite program (SDP). We provide a ``direct'' parameterization, i.e., a smooth mapping from mathbb R^N onto the set of weights satisfying the SDP-based bound. Moreover, our parameterization is complete, i.e. a neural network satisfies the SDP bound if and only if it can be represented via our parameterization. This enables training using standard gradient methods, without any inner approximation or computationally intensive tasks (e.g. projections or barrier terms) for the SDP constraint. The new parameterization can equivalently be thought of as either a new layer type (the sandwich layer), or a novel parameterization of standard feedforward networks with parameter sharing between neighbouring layers. A comprehensive set of experiments on image classification shows that sandwich layers outperform previous approaches on both empirical and certified robust accuracy. Code is available at https://github.com/acfr/LBDN.

Classifier-free guidance (CFG) is a core technique powering state-of-the-art image generation systems, yet its underlying mechanisms remain poorly understood. In this work, we begin by analyzing CFG in a simplified linear diffusion model, where we show its behavior closely resembles that observed in the nonlinear case. Our analysis reveals that linear CFG improves generation quality via three distinct components: (i) a mean-shift term that approximately steers samples in the direction of class means, (ii) a positive Contrastive Principal Components (CPC) term that amplifies class-specific features, and (iii) a negative CPC term that suppresses generic features prevalent in unconditional data. We then verify that these insights in real-world, nonlinear diffusion models: over a broad range of noise levels, linear CFG resembles the behavior of its nonlinear counterpart. Although the two eventually diverge at low noise levels, we discuss how the insights from the linear analysis still shed light on the CFG's mechanism in the nonlinear regime.

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.

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.

Generalizing to out-of-distribution (OOD) data or unseen domain, termed OOD generalization, still lacks appropriate theoretical guarantees. Canonical OOD bounds focus on different distance measurements between source and target domains but fail to consider the optimization property of the learned model. As empirically shown in recent work, the sharpness of learned minima influences OOD generalization. To bridge this gap between optimization and OOD generalization, we study the effect of sharpness on how a model tolerates data change in domain shift which is usually captured by "robustness" in generalization. In this paper, we give a rigorous connection between sharpness and robustness, which gives better OOD guarantees for robust algorithms. It also provides a theoretical backing for "flat minima leads to better OOD generalization". Overall, we propose a sharpness-based OOD generalization bound by taking robustness into consideration, resulting in a tighter bound than non-robust guarantees. Our findings are supported by the experiments on a ridge regression model, as well as the experiments on deep learning classification tasks.

We describe a novel attribution method which is grounded in Sensitivity Analysis and uses Sobol indices. Beyond modeling the individual contributions of image regions, Sobol indices provide an efficient way to capture higher-order interactions between image regions and their contributions to a neural network's prediction through the lens of variance. We describe an approach that makes the computation of these indices efficient for high-dimensional problems by using perturbation masks coupled with efficient estimators to handle the high dimensionality of images. Importantly, we show that the proposed method leads to favorable scores on standard benchmarks for vision (and language models) while drastically reducing the computing time compared to other black-box methods -- even surpassing the accuracy of state-of-the-art white-box methods which require access to internal representations. Our code is freely available: https://github.com/fel-thomas/Sobol-Attribution-Method

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.

Decoding methods play an indispensable role in converting language models from next-token predictors into practical task solvers. Prior research on decoding methods, primarily focusing on task-specific models, may not extend to the current era of general-purpose large language models (LLMs). Moreover, the recent influx of decoding strategies has further complicated this landscape. This paper provides a comprehensive and multifaceted analysis of various decoding methods within the context of LLMs, evaluating their performance, robustness to hyperparameter changes, and decoding speeds across a wide range of tasks, models, and deployment environments. Our findings reveal that decoding method performance is notably task-dependent and influenced by factors such as alignment, model size, and quantization. Intriguingly, sensitivity analysis exposes that certain methods achieve superior performance at the cost of extensive hyperparameter tuning, highlighting the trade-off between attaining optimal results and the practicality of implementation in varying contexts.

Understanding when the noise in stochastic gradient descent (SGD) affects generalization of deep neural networks remains a challenge, complicated by the fact that networks can operate in distinct training regimes. Here we study how the magnitude of this noise T affects performance as the size of the training set P and the scale of initialization alpha are varied. For gradient descent, alpha is a key parameter that controls if the network is `lazy'(alphagg1) or instead learns features (alphall1). For classification of MNIST and CIFAR10 images, our central results are: (i) obtaining phase diagrams for performance in the (alpha,T) plane. They show that SGD noise can be detrimental or instead useful depending on the training regime. Moreover, although increasing T or decreasing alpha both allow the net to escape the lazy regime, these changes can have opposite effects on performance. (ii) Most importantly, we find that the characteristic temperature T_c where the noise of SGD starts affecting the trained model (and eventually performance) is a power law of P. We relate this finding with the observation that key dynamical quantities, such as the total variation of weights during training, depend on both T and P as power laws. These results indicate that a key effect of SGD noise occurs late in training by affecting the stopping process whereby all data are fitted. Indeed, we argue that due to SGD noise, nets must develop a stronger `signal', i.e. larger informative weights, to fit the data, leading to a longer training time. A stronger signal and a longer training time are also required when the size of the training set P increases. We confirm these views in the perceptron model, where signal and noise can be precisely measured. Interestingly, exponents characterizing the effect of SGD depend on the density of data near the decision boundary, as we explain.

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

To achieve the highest perceptual quality, state-of-the-art diffusion models are optimized with objectives that typically look very different from the maximum likelihood and the Evidence Lower Bound (ELBO) objectives. In this work, we reveal that diffusion model objectives are actually closely related to the ELBO. Specifically, we show that all commonly used diffusion model objectives equate to a weighted integral of ELBOs over different noise levels, where the weighting depends on the specific objective used. Under the condition of monotonic weighting, the connection is even closer: the diffusion objective then equals the ELBO, combined with simple data augmentation, namely Gaussian noise perturbation. We show that this condition holds for a number of state-of-the-art diffusion models. In experiments, we explore new monotonic weightings and demonstrate their effectiveness, achieving state-of-the-art FID scores on the high-resolution ImageNet benchmark.

Despite their remarkable capabilities, Large Language Models (LLMs) are found to be surprisingly sensitive to minor variations in prompts, often generating significantly divergent outputs in response to minor variations in the prompts, such as spelling errors, alteration of wording or the prompt template. However, while assessing the quality of an LLM, the focus often tends to be solely on its performance on downstream tasks, while very little to no attention is paid to prompt sensitivity. To fill this gap, we propose POSIX - a novel PrOmpt Sensitivity IndeX as a reliable measure of prompt sensitivity, thereby offering a more comprehensive evaluation of LLM performance. The key idea behind POSIX is to capture the relative change in loglikelihood of a given response upon replacing the corresponding prompt with a different intent-preserving prompt. We provide thorough empirical evidence demonstrating the efficacy of POSIX in capturing prompt sensitivity and subsequently use it to measure and thereby compare prompt sensitivity of various open-source LLMs. We find that merely increasing the parameter count or instruction tuning does not necessarily reduce prompt sensitivity whereas adding some few-shot exemplars, even just one, almost always leads to significant decrease in prompt sensitivity. We also find that alterations to prompt template lead to the highest sensitivity in the case of MCQ type tasks, whereas paraphrasing results in the highest sensitivity in open-ended generation tasks. The code for reproducing our results is open-sourced at https://github.com/kowndinya-renduchintala/POSIX.

This paper studies generalization capabilities of neural networks (NNs) using new and improved PyTorch library Loss Landscape Analysis (LLA). LLA facilitates visualization and analysis of loss landscapes along with the properties of NN Hessian. Different approaches to NN loss landscape plotting are discussed with particular focus on normalization techniques showing that conventional methods cannot always ensure correct visualization when batch normalization layers are present in NN architecture. The use of Hessian axes is shown to be able to mitigate this effect, and methods for choosing Hessian axes are proposed. In addition, spectra of Hessian eigendecomposition are studied and it is shown that typical spectra exist for a wide range of NNs. This allows to propose quantitative criteria for Hessian analysis that can be applied to evaluate NN performance and assess its generalization capabilities. Generalization experiments are conducted using ImageNet-1K pre-trained models along with several models trained as part of this study. The experiment include training models on one dataset and testing on another one to maximize experiment similarity to model performance in the Wild. It is shown that when datasets change, the changes in criteria correlate with the changes in accuracy, making the proposed criteria a computationally efficient estimate of generalization ability, which is especially useful for extremely large datasets.

Gradient descent is the method of choice for training large artificial intelligence systems. As these systems become larger, a better understanding of the mechanisms behind gradient training would allow us to alleviate compute costs and help steer these systems away from harmful behaviors. To that end, we suggest utilizing the circuit perspective brought forward by mechanistic interpretability. After laying out our intuition, we illustrate how it enables us to design a curriculum for efficient learning in a controlled setting. The code is available at https://github.com/facebookresearch/pal.

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).

Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function. Although such a surrogate can be learned from offline data, its prediction might not be reliable outside the offline data regime, which happens when the surrogate has narrow prediction margin and is (therefore) sensitive to small perturbations of its parameterization. This raises the following questions: (1) how to regulate the sensitivity of a surrogate model; and (2) whether conditioning an offline optimizer with such less sensitive surrogate will lead to better optimization performance. To address these questions, we develop an optimizable sensitivity measurement for the surrogate model, which then inspires a sensitivity-informed regularizer that is applicable to a wide range of offline optimizers. This development is both orthogonal and synergistic to prior research on offline optimization, which is demonstrated in our extensive experiment benchmark.

Designing metrics for evaluating instance segmentation revolves around comprehensively considering object detection and segmentation accuracy. However, other important properties, such as sensitivity, continuity, and equality, are overlooked in the current study. In this paper, we reveal that most existing metrics have a limited resolution of segmentation quality. They are only conditionally sensitive to the change of masks or false predictions. For certain metrics, the score can change drastically in a narrow range which could provide a misleading indication of the quality gap between results. Therefore, we propose a new metric called sortedAP, which strictly decreases with both object- and pixel-level imperfections and has an uninterrupted penalization scale over the entire domain. We provide the evaluation toolkit and experiment code at https://www.github.com/looooongChen/sortedAP.

Advances in unsupervised probes such as Contrast-Consistent Search (CCS), which reveal latent beliefs without relying on token outputs, raise the question of whether these methods can reliably assess model alignment. We investigate this by examining the sensitivity of CCS to harmful vs. safe statements and by introducing Polarity-Aware CCS (PA-CCS), a method for evaluating whether a model's internal representations remain consistent under polarity inversion. We propose two alignment-oriented metrics, Polar-Consistency and the Contradiction Index, to quantify the semantic robustness of a model's latent knowledge. To validate PA-CCS, we curate two main datasets and one control dataset containing matched harmful-safe sentence pairs constructed using different methodologies (concurrent and antagonistic statements). We apply PA-CCS to 16 language models. Our results show that PA-CCS identifies both architectural and layer-specific differences in the encoding of latent harmful knowledge. Notably, replacing the negation token with a meaningless marker degrades PA-CCS scores for models with well-aligned internal representations, while models lacking robust internal calibration do not exhibit this degradation. Our findings highlight the potential of unsupervised probing for alignment evaluation and emphasize the need to incorporate structural robustness checks into interpretability benchmarks. Code and datasets are available at: https://github.com/SadSabrina/polarity-probing. WARNING: This paper contains potentially sensitive, harmful, and offensive content.

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.

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.

Several works have proposed Simplicity Bias (SB)---the tendency of standard training procedures such as Stochastic Gradient Descent (SGD) to find simple models---to justify why neural networks generalize well [Arpit et al. 2017, Nakkiran et al. 2019, Soudry et al. 2018]. However, the precise notion of simplicity remains vague. Furthermore, previous settings that use SB to theoretically justify why neural networks generalize well do not simultaneously capture the non-robustness of neural networks---a widely observed phenomenon in practice [Goodfellow et al. 2014, Jo and Bengio 2017]. We attempt to reconcile SB and the superior standard generalization of neural networks with the non-robustness observed in practice by designing datasets that (a) incorporate a precise notion of simplicity, (b) comprise multiple predictive features with varying levels of simplicity, and (c) capture the non-robustness of neural networks trained on real data. Through theory and empirics on these datasets, we make four observations: (i) SB of SGD and variants can be extreme: neural networks can exclusively rely on the simplest feature and remain invariant to all predictive complex features. (ii) The extreme aspect of SB could explain why seemingly benign distribution shifts and small adversarial perturbations significantly degrade model performance. (iii) Contrary to conventional wisdom, SB can also hurt generalization on the same data distribution, as SB persists even when the simplest feature has less predictive power than the more complex features. (iv) Common approaches to improve generalization and robustness---ensembles and adversarial training---can fail in mitigating SB and its pitfalls. Given the role of SB in training neural networks, we hope that the proposed datasets and methods serve as an effective testbed to evaluate novel algorithmic approaches aimed at avoiding the pitfalls of SB.

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.

The strength of modern generative models lies in their ability to be controlled through text-based prompts. Typical "hard" prompts are made from interpretable words and tokens, and must be hand-crafted by humans. There are also "soft" prompts, which consist of continuous feature vectors. These can be discovered using powerful optimization methods, but they cannot be easily interpreted, re-used across models, or plugged into a text-based interface. We describe an approach to robustly optimize hard text prompts through efficient gradient-based optimization. Our approach automatically generates hard text-based prompts for both text-to-image and text-to-text applications. In the text-to-image setting, the method creates hard prompts for diffusion models, allowing API users to easily generate, discover, and mix and match image concepts without prior knowledge on how to prompt the model. In the text-to-text setting, we show that hard prompts can be automatically discovered that are effective in tuning LMs for classification.

It is well-known that the performance of well-trained deep neural networks may degrade significantly when they are applied to data with even slightly shifted distributions. Recent studies have shown that introducing certain perturbation on feature statistics (\eg, mean and standard deviation) during training can enhance the cross-domain generalization ability. Existing methods typically conduct such perturbation by utilizing the feature statistics within a mini-batch, limiting their representation capability. Inspired by the domain generalization objective, we introduce a novel Adversarial Style Augmentation (ASA) method, which explores broader style spaces by generating more effective statistics perturbation via adversarial training. Specifically, we first search for the most sensitive direction and intensity for statistics perturbation by maximizing the task loss. By updating the model against the adversarial statistics perturbation during training, we allow the model to explore the worst-case domain and hence improve its generalization performance. To facilitate the application of ASA, we design a simple yet effective module, namely AdvStyle, which instantiates the ASA method in a plug-and-play manner. We justify the efficacy of AdvStyle on tasks of cross-domain classification and instance retrieval. It achieves higher mean accuracy and lower performance fluctuation. Especially, our method significantly outperforms its competitors on the PACS dataset under the single source generalization setting, \eg, boosting the classification accuracy from 61.2\% to 67.1\% with a ResNet50 backbone. Our code will be available at https://github.com/YBZh/AdvStyle.

The softmax function is crucial in Transformer attention, which normalizes each row of the attention scores with summation to one, achieving superior performances over other alternative functions. However, the softmax function can face a gradient vanishing issue when some elements of the attention scores approach extreme values, such as probabilities close to one or zero. In this paper, we propose Self-Adjust Softmax (SA-Softmax) to address this issue by modifying softmax(x) to x cdot softmax(x) and its normalized variant (x - min(x_{min,0))}{max(0,x_{max})-min(x_{min},0)} cdot softmax(x). We theoretically show that SA-Softmax provides enhanced gradient properties compared to the vanilla softmax function. Moreover, SA-Softmax Attention can be seamlessly integrated into existing Transformer models to their attention mechanisms with minor adjustments. We conducted experiments to evaluate the empirical performance of Transformer models using SA-Softmax compared to the vanilla softmax function. These experiments, involving models with up to 2.7 billion parameters, are conducted across diverse datasets, language tasks, and positional encoding methods.

Thanks to the large pre-trained vision-language models (VLMs) like CLIP, we can craft a zero-shot classifier by "prompt", e.g., the confidence score of an image being "[CLASS]" can be obtained by using the VLM provided similarity measure between the image and the prompt sentence "a photo of a [CLASS]". Therefore, prompt shows a great potential for fast adaptation of VLMs to downstream tasks if we fine-tune the prompt-based similarity measure. However, we find a common failure that improper fine-tuning may not only undermine the prompt's inherent prediction for the task-related classes, but also for other classes in the VLM vocabulary. Existing methods still address this problem by using traditional anti-overfitting techniques such as early stopping and data augmentation, which lack a principled solution specific to prompt. We present Prompt-aligned Gradient, dubbed ProGrad, to prevent prompt tuning from forgetting the the general knowledge learned from VLMs. In particular, ProGrad only updates the prompt whose gradient is aligned (or non-conflicting) to the "general direction", which is represented as the gradient of the KL loss of the pre-defined prompt prediction. Extensive experiments demonstrate the stronger few-shot generalization ability of ProGrad over state-of-the-art prompt tuning methods. Codes are available at https://github.com/BeierZhu/Prompt-align.

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero, (2) and outliers away from the bulk. We present numerical evidence and mathematical justifications to the following conjectures laid out by Sagun et al. (2016): Fixing data, increasing the number of parameters merely scales the bulk of the spectrum; fixing the dimension and changing the data (for instance adding more clusters or making the data less separable) only affects the outliers. We believe that our observations have striking implications for non-convex optimization in high dimensions. First, the flatness of such landscapes (which can be measured by the singularity of the Hessian) implies that classical notions of basins of attraction may be quite misleading. And that the discussion of wide/narrow basins may be in need of a new perspective around over-parametrization and redundancy that are able to create large connected components at the bottom of the landscape. Second, the dependence of small number of large eigenvalues to the data distribution can be linked to the spectrum of the covariance matrix of gradients of model outputs. With this in mind, we may reevaluate the connections within the data-architecture-algorithm framework of a model, hoping that it would shed light into the geometry of high-dimensional and non-convex spaces in modern applications. In particular, we present a case that links the two observations: small and large batch gradient descent appear to converge to different basins of attraction but we show that they are in fact connected through their flat region and so belong to the same basin.

Neural networks have a number of shortcomings. Amongst the severest ones is the sensitivity to distribution shifts which allows models to be easily fooled into wrong predictions by small perturbations to inputs that are often imperceivable to humans and do not have to carry semantic meaning. Adversarial training poses a partial solution to address this issue by training models on worst-case perturbations. Yet, recent work has also pointed out that the reasoning in neural networks is different from humans. Humans identify objects by shape, while neural nets mainly employ texture cues. Exemplarily, a model trained on photographs will likely fail to generalize to datasets containing sketches. Interestingly, it was also shown that adversarial training seems to favorably increase the shift toward shape bias. In this work, we revisit this observation and provide an extensive analysis of this effect on various architectures, the common ell_2- and ell_infty-training, and Transformer-based models. Further, we provide a possible explanation for this phenomenon from a frequency perspective.

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.

Large language models have transformed the comprehension and generation of natural language tasks, but they come with substantial memory and computational requirements. Quantization techniques have emerged as a promising avenue for addressing these challenges while preserving accuracy and making energy efficient. We propose CPTQuant, a comprehensive strategy that introduces correlation-based (CMPQ), pruning-based (PMPQ), and Taylor decomposition-based (TDMPQ) mixed precision techniques. CMPQ adapts the precision level based on canonical correlation analysis of different layers. PMPQ optimizes precision layer-wise based on their sensitivity to sparsity. TDMPQ modifies precision using Taylor decomposition to assess each layer's sensitivity to input perturbation. These strategies allocate higher precision to more sensitive layers while diminishing precision to robust layers. CPTQuant assesses the performance across BERT, OPT-125M, OPT-350M, OPT-1.3B, and OPT-2.7B. We demonstrate up to 4x compression and a 2x-fold increase in efficiency with minimal accuracy drop compared to Hugging Face FP16. PMPQ stands out for achieving a considerably higher model compression. Sensitivity analyses across various LLMs show that the initial and final 30% of layers exhibit higher sensitivities than the remaining layers. PMPQ demonstrates an 11% higher compression ratio than other methods for classification tasks, while TDMPQ achieves a 30% greater compression ratio for language modeling tasks.

We report the effects of replacing the scaled dot-product (within softmax) attention with the negative-log of Euclidean distance. This form of attention simplifies to inverse distance weighting interpolation. Used in simple one hidden layer networks and trained with vanilla cross-entropy loss on classification problems, it tends to produce a key matrix containing prototypes and a value matrix with corresponding logits. We also show that the resulting interpretable networks can be augmented with manually-constructed prototypes to perform low-impact handling of special cases.

Our work presents extensive empirical evidence that layer rotation, i.e. the evolution across training of the cosine distance between each layer's weight vector and its initialization, constitutes an impressively consistent indicator of generalization performance. In particular, larger cosine distances between final and initial weights of each layer consistently translate into better generalization performance of the final model. Interestingly, this relation admits a network independent optimum: training procedures during which all layers' weights reach a cosine distance of 1 from their initialization consistently outperform other configurations -by up to 30% test accuracy. Moreover, we show that layer rotations are easily monitored and controlled (helpful for hyperparameter tuning) and potentially provide a unified framework to explain the impact of learning rate tuning, weight decay, learning rate warmups and adaptive gradient methods on generalization and training speed. In an attempt to explain the surprising properties of layer rotation, we show on a 1-layer MLP trained on MNIST that layer rotation correlates with the degree to which features of intermediate layers have been trained.

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

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.

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

Diffusion inversion is the problem of taking an image and a text prompt that describes it and finding a noise latent that would generate the image. Most current inversion techniques operate by approximately solving an implicit equation and may converge slowly or yield poor reconstructed images. Here, we formulate the problem as finding the roots of an implicit equation and design a method to solve it efficiently. Our solution is based on Newton-Raphson (NR), a well-known technique in numerical analysis. A naive application of NR may be computationally infeasible and tends to converge to incorrect solutions. We describe an efficient regularized formulation that converges quickly to a solution that provides high-quality reconstructions. We also identify a source of inconsistency stemming from prompt conditioning during the inversion process, which significantly degrades the inversion quality. To address this, we introduce a prompt-aware adjustment of the encoding, effectively correcting this issue. Our solution, Regularized Newton-Raphson Inversion, inverts an image within 0.5 sec for latent consistency models, opening the door for interactive image editing. We further demonstrate improved results in image interpolation and generation of rare objects.

Image Quality Assessment (IQA) remains an unresolved challenge in computer vision due to complex distortions, diverse image content, and limited data availability. Existing Blind IQA (BIQA) methods largely rely on extensive human annotations, which are labor-intensive and costly due to the demanding nature of creating IQA datasets. To reduce this dependency, we propose the Gradient-Regulated Meta-Prompt IQA Framework (GRMP-IQA), designed to efficiently adapt the visual-language pre-trained model, CLIP, to IQA tasks, achieving high accuracy even with limited data. GRMP-IQA consists of two core modules: (i) Meta-Prompt Pre-training Module and (ii) Quality-Aware Gradient Regularization. The Meta Prompt Pre-training Module leverages a meta-learning paradigm to pre-train soft prompts with shared meta-knowledge across different distortions, enabling rapid adaptation to various IQA tasks. On the other hand, the Quality-Aware Gradient Regularization is designed to adjust the update gradients during fine-tuning, focusing the model's attention on quality-relevant features and preventing overfitting to semantic information. Extensive experiments on standard BIQA datasets demonstrate the superior performance to the state-of-the-art BIQA methods under limited data setting. Notably, utilizing just 20% of the training data, GRMP-IQA is competitive with most existing fully supervised BIQA approaches.

Large pre-trained language models have recently gained significant traction due to their improved performance on various down-stream tasks like text classification and question answering, requiring only few epochs of fine-tuning. However, their large model sizes often prohibit their applications on resource-constrained edge devices. Existing solutions of yielding parameter-efficient BERT models largely rely on compute-exhaustive training and fine-tuning. Moreover, they often rely on additional compute heavy models to mitigate the performance gap. In this paper, we present Sensi-BERT, a sensitivity driven efficient fine-tuning of BERT models that can take an off-the-shelf pre-trained BERT model and yield highly parameter-efficient models for downstream tasks. In particular, we perform sensitivity analysis to rank each individual parameter tensor, that then is used to trim them accordingly during fine-tuning for a given parameter or FLOPs budget. Our experiments show the efficacy of Sensi-BERT across different downstream tasks including MNLI, QQP, QNLI, SST-2 and SQuAD, showing better performance at similar or smaller parameter budget compared to various alternatives.

Recent convolutional neural networks (CNNs) have led to impressive performance but often suffer from poor calibration. They tend to be overconfident, with the model confidence not always reflecting the underlying true ambiguity and hardness. In this paper, we propose angular visual hardness (AVH), a score given by the normalized angular distance between the sample feature embedding and the target classifier to measure sample hardness. We validate this score with an in-depth and extensive scientific study, and observe that CNN models with the highest accuracy also have the best AVH scores. This agrees with an earlier finding that state-of-art models improve on the classification of harder examples. We observe that the training dynamics of AVH is vastly different compared to the training loss. Specifically, AVH quickly reaches a plateau for all samples even though the training loss keeps improving. This suggests the need for designing better loss functions that can target harder examples more effectively. We also find that AVH has a statistically significant correlation with human visual hardness. Finally, we demonstrate the benefit of AVH to a variety of applications such as self-training for domain adaptation and domain generalization.

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.

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.

Despite major advances in methodology, hyperparameter tuning remains a crucial (and expensive) part of the development of machine learning systems. Even ignoring architectural choices, deep neural networks have a large number of optimization and regularization hyperparameters that need to be tuned carefully per workload in order to obtain the best results. In a perfect world, training algorithms would not require workload-specific hyperparameter tuning, but would instead have default settings that performed well across many workloads. Recently, there has been a growing literature on optimization methods which attempt to reduce the number of hyperparameters -- particularly the learning rate and its accompanying schedule. Given these developments, how far away is the dream of neural network training algorithms that completely obviate the need for painful tuning? In this paper, we evaluate the potential of learning-rate-free methods as components of hyperparameter-free methods. We freeze their (non-learning rate) hyperparameters to default values, and score their performance using the recently-proposed AlgoPerf: Training Algorithms benchmark. We found that literature-supplied default settings performed poorly on the benchmark, so we performed a search for hyperparameter configurations that performed well across all workloads simultaneously. The best AlgoPerf-calibrated learning-rate-free methods had much improved performance but still lagged slightly behind a similarly calibrated NadamW baseline in overall benchmark score. Our results suggest that there is still much room for improvement for learning-rate-free methods, and that testing against a strong, workload-agnostic baseline is important to improve hyperparameter reduction techniques.

There has been a large literature of neural architecture search, but most existing work made use of heuristic rules that largely constrained the search flexibility. In this paper, we first relax these manually designed constraints and enlarge the search space to contain more than 10^{160} candidates. In the new space, most existing differentiable search methods can fail dramatically. We then propose a novel algorithm named Gradual One-Level Differentiable Neural Architecture Search (GOLD-NAS) which introduces a variable resource constraint to one-level optimization so that the weak operators are gradually pruned out from the super-network. In standard image classification benchmarks, GOLD-NAS can find a series of Pareto-optimal architectures within a single search procedure. Most of the discovered architectures were never studied before, yet they achieve a nice tradeoff between recognition accuracy and model complexity. We believe the new space and search algorithm can advance the search of differentiable NAS.

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.

Text-to-image diffusion models have impactful applications in art, design, and entertainment, yet these technologies also pose significant risks by enabling the creation and dissemination of misinformation. Although recent advancements have produced AI-generated image detectors that claim robustness against various augmentations, their true effectiveness remains uncertain. Do these detectors reliably identify images with different levels of augmentation? Are they biased toward specific scenes or data distributions? To investigate, we introduce SEMI-TRUTHS, featuring 27,600 real images, 223,400 masks, and 1,472,700 AI-augmented images that feature targeted and localized perturbations produced using diverse augmentation techniques, diffusion models, and data distributions. Each augmented image is accompanied by metadata for standardized and targeted evaluation of detector robustness. Our findings suggest that state-of-the-art detectors exhibit varying sensitivities to the types and degrees of perturbations, data distributions, and augmentation methods used, offering new insights into their performance and limitations. The code for the augmentation and evaluation pipeline is available at https://github.com/J-Kruk/SemiTruths.

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.

Large language models exhibit a puzzling inconsistency: they solve complex problems yet frequently fail on seemingly simpler ones. We investigate whether LLMs internally encode problem difficulty in a way that aligns with human judgment, and whether this representation tracks generalization during reinforcement learning post-training. We train linear probes across layers and token positions on 60 models, evaluating on mathematical and coding subsets of Easy2HardBench. We find that human-labeled difficulty is strongly linearly decodable (AMC: rho approx 0.88) and exhibits clear model-size scaling, whereas LLM-derived difficulty is substantially weaker and scales poorly. Steering along the difficulty direction reveals that pushing models toward "easier" representations reduces hallucination and improves accuracy. During GRPO training on Qwen2.5-Math-1.5B, the human-difficulty probe strengthens and positively correlates with test accuracy across training steps, while the LLM-difficulty probe degrades and negatively correlates with performance. These results suggest that human annotations provide a stable difficulty signal that RL amplifies, while automated difficulty estimates derived from model performance become misaligned precisely as models improve. We release probe code and evaluation scripts to facilitate replication.

Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.