Daily Papers

With the recent addition of Retrieval-Augmented Generation (RAG), the scope and importance of Information Retrieval (IR) has expanded. As a result, the importance of a deeper understanding of IR models also increases. However, interpretability in IR remains under-explored, especially when it comes to the models' inner mechanisms. In this paper, we explore the possibility of adapting Integrated Gradient-based methods in an IR context to identify the role of individual neurons within the model. In particular, we provide new insights into the role of what we call "relevance" neurons, as well as how they deal with unseen data. Finally, we carry out an in-depth pruning study to validate our findings.

Integrated Gradients (IG) as well as its variants are well-known techniques for interpreting the decisions of deep neural networks. While IG-based approaches attain state-of-the-art performance, they often integrate noise into their explanation saliency maps, which reduce their interpretability. To minimize the noise, we examine the source of the noise analytically and propose a new approach to reduce the explanation noise based on our analytical findings. We propose the Important Direction Gradient Integration (IDGI) framework, which can be easily incorporated into any IG-based method that uses the Reimann Integration for integrated gradient computation. Extensive experiments with three IG-based methods show that IDGI improves them drastically on numerous interpretability metrics.

Recent explainable artificial intelligence (XAI) methods for time series primarily estimate point-wise attribution magnitudes, while overlooking the directional impact on predictions, leading to suboptimal identification of significant points. Our analysis shows that conventional Integrated Gradients (IG) effectively capture critical points with both positive and negative impacts on predictions. However, current evaluation metrics fail to assess this capability, as they inadvertently cancel out opposing feature contributions. To address this limitation, we propose novel evaluation metrics-Cumulative Prediction Difference (CPD) and Cumulative Prediction Preservation (CPP)-to systematically assess whether attribution methods accurately identify significant positive and negative points in time series XAI. Under these metrics, conventional IG outperforms recent counterparts. However, directly applying IG to time series data may lead to suboptimal outcomes, as generated paths ignore temporal relationships and introduce out-of-distribution samples. To overcome these challenges, we introduce TIMING, which enhances IG by incorporating temporal awareness while maintaining its theoretical properties. Extensive experiments on synthetic and real-world time series benchmarks demonstrate that TIMING outperforms existing time series XAI baselines. Our code is available at https://github.com/drumpt/TIMING.

Large Vision Language Models (LVLMs) have achieved remarkable success in a range of downstream tasks that require multimodal interaction, but their capabilities come with substantial computational and memory overhead, which hinders practical deployment. Among numerous acceleration techniques, post-training quantization is a popular and effective strategy for reducing memory cost and accelerating inference. However, existing LVLM quantization methods typically measure token sensitivity at the modality level, which fails to capture the complex cross-token interactions and falls short in quantitatively measuring the quantization error at the token level. As tokens interact within the model, the distinction between modalities gradually diminishes, suggesting the need for fine-grained calibration. Inspired by axiomatic attribution in mechanistic interpretability, we introduce a fine-grained quantization strategy on Quantization-aware Integrated Gradients (QIG), which leverages integrated gradients to quantitatively evaluate token sensitivity and push the granularity from modality level to token level, reflecting both inter-modality and intra-modality dynamics. Extensive experiments on multiple LVLMs under both W4A8 and W3A16 settings show that our method improves accuracy across models and benchmarks with negligible latency overhead. For example, under 3-bit weight-only quantization, our method improves the average accuracy of LLaVA-onevision-7B by 1.60%, reducing the gap to its full-precision counterpart to only 1.33%. The code is available at https://github.com/ucas-xiang/QIG.

Understanding and interpreting the decisions made by deep learning models is valuable in many domains. In computer vision, computing heatmaps from a deep network is a popular approach for visualizing and understanding deep networks. However, heatmaps that do not correlate with the network may mislead human, hence the performance of heatmaps in providing a faithful explanation to the underlying deep network is crucial. In this paper, we propose I-GOS, which optimizes for a heatmap so that the classification scores on the masked image would maximally decrease. The main novelty of the approach is to compute descent directions based on the integrated gradients instead of the normal gradient, which avoids local optima and speeds up convergence. Compared with previous approaches, our method can flexibly compute heatmaps at any resolution for different user needs. Extensive experiments on several benchmark datasets show that the heatmaps produced by our approach are more correlated with the decision of the underlying deep network, in comparison with other state-of-the-art approaches.

As large language models (LLMs) scale to billions of parameters, full-parameter fine-tuning becomes compute- and memory-prohibitive. Parameter-efficient fine-tuning (PEFT) mitigates this issue by updating only a small set of task-specific parameters while keeping the base model frozen. Among PEFT approaches, low-rank adaptation (LoRA) is widely adopted; however, it enforces a uniform rank across layers despite substantial variation in layer importance, motivating {layerwise} rank allocation. Recent adaptive-rank variants (e.g., AdaLoRA) allocate ranks based on importance scores, yet typically rely on instantaneous gradients that capture only local sensitivity, overlooking non-local, pathwise effects within the same layer, which yields unstable and biased scores. To address this limitation, we introduce IGU-LoRA, an adaptive-rank LoRA that (i) computes within-layer Integrated Gradients (IG) sensitivities and aggregates them into a layer-level score for rank allocation, and (ii) applies an uncertainty-aware scheme using exponential moving averages with deviation tracking to suppress noisy updates and calibrate rank selection. Theoretically, we prove an upper bound on the composite trapezoidal rule approximation error for parameter-space IG under a pathwise Hessian-Lipschitz condition, which informs the quadrature budget. Across diverse tasks and architectures, IGU-LoRA consistently outperforms strong PEFT baselines at matched parameter budgets, improving downstream accuracy and robustness. Ablations confirm the contributions of pathwise within-layer sensitivity estimates and uncertainty-aware selection to effective rank allocation. Our code is publicly available at https://github.com/withyou12/igulora.git

Inference-time steering methods offer a lightweight alternative to fine-tuning large language models (LLMs) and vision-language models (VLMs) by modifying internal activations at test time without updating model weights. However, most existing approaches rely on fixed, global intervention vectors, overlook the causal influence of individual input tokens, and fail to leverage informative gradients from the model's logits, particularly in multimodal settings where visual and textual inputs contribute unevenly. To address these limitations, we introduce GrAInS, an inference-time steering approach that operates across both language-only and vision-language models and tasks. GrAInS uses contrastive, gradient-based attribution via Integrated Gradients to identify the top-k most influential tokens, both positively and negatively attributed based on their contribution to preferred versus dispreferred outputs. These tokens are then used to construct directional steering vectors that capture semantic shifts from undesirable to desirable behavior. During inference, GrAInS adjusts hidden activations at transformer layers guided by token-level attribution signals, and normalizes activations to preserve representational scale. This enables fine-grained, interpretable, and modular control over model behavior, without retraining or auxiliary supervision. Empirically, GrAInS consistently outperforms both fine-tuning and existing steering baselines: it achieves a 13.22% accuracy gain on TruthfulQA using Llama-3.1-8B, reduces hallucination rates on MMHal-Bench from 0.624 to 0.514 with LLaVA-1.6-7B, and improves alignment win rates on SPA-VL by 8.11%, all while preserving the model's fluency and general capabilities.

An important and unresolved problem in the physical sciences is explaining the predictions made by neural networks. Several explainable artificial intelligence (XAI) methods have been proposed to address this problem, including gradient XAI, Integrated Gradients, and GradientSHAP. We evaluate the baseline XAI methods according to four scores: sensitivity (XAI patterns strongly affect predictions), attribution (XAI patterns reproduce the change in prediction relative to a baseline), robustness (XAI patterns remain stable for nearby inputs), and coherence (XAI patterns are spatially smooth). We also introduce a new method, average gradient outer product (AGOP) XAI, that uses global gradient information to identify an important direction for a specific input. We apply XAI to neural network predictions of the El Niño-Southern Oscillation (ENSO) based on data from the Zebiak-Cane model. AGOP XAI achieves the highest attribution, robustness, and coherence scores in the architecture and lead-time comparisons reported here. Its sensitivity is surpassed by gradient XAI, which is maximally sensitive by definition. Beyond diagnosing neural-network behavior, AGOP XAI can generate candidate hypotheses about physical mechanisms. The method highlights an equatorial thermocline-depth signal consistent with recharge oscillator physics, together with a southeastern-Pacific lobe that may be specific to the Zebiak-Cane model. Finally, we test the physical relevance of AGOP using optimized perturbations that move the Zebiak-Cane model along AGOP explanation coordinates. Such perturbations can suppress the selected extreme events or, from a near-neutral ensemble, generate strong El Niño or La Niña events 10 months later.

Deep remaining-useful-life (RUL) models on NASA C-MAPSS are now routine, and so are heatmaps that colour sensors and timesteps. A heatmap that looks mechanical is not the same as an explanation an engineer can act on. We train three standard architectures - a 1D CNN, an LSTM, and a small Transformer encoder - on the official FD001 and FD003 splits with the piecewise RUL cap of 125 cycles and the official PHM08 asymmetric score. We then attach three attribution maps (Integrated Gradients, occlusion, last-layer attention) and evaluate them with the checks the XAI-for-PdM literature still under-reports: deletion/insertion faithfulness, Spearman stability under sensor-scale noise, agreement across training seeds, and cosine consistency inside RUL bins. Prediction error is a prerequisite, not the claim. The headline is which explanation method moves the RUL output when its top cells are removed, and which map survives a 5% input perturbation. Integrated Gradients and occlusion are similarly faithful on the LSTM; Transformer attention is cheap and temporally smooth but weakly faithful. All three maps are almost unchanged under 5% input noise, yet IG/occlusion agree only moderately across two LSTM seeds - stability to sensor jitter is not the same as stability to retraining. A secondary tabular check on the AI4I 2020 failure dataset shows the same deletion pattern for tree importances. We recommend occlusion or IG for any C-MAPSS-style report that will be read by a maintenance engineer, and we treat raw attention weights as a visualisation only.

The COVID-19 pandemic has escalated mental health crises worldwide, with social isolation and economic instability contributing to a rise in suicidal behavior. Suicide can result from social factors such as shame, abuse, abandonment, and mental health conditions like depression, Post-Traumatic Stress Disorder (PTSD), Attention-Deficit/Hyperactivity Disorder (ADHD), anxiety disorders, and bipolar disorders. As these conditions develop, signs of suicidal ideation may manifest in social media interactions. Analyzing social media data using artificial intelligence (AI) techniques can help identify patterns of suicidal behavior, providing invaluable insights for suicide prevention agencies, professionals, and broader community awareness initiatives. Machine learning algorithms for this purpose require large volumes of accurately labeled data. Previous research has not fully explored the potential of incorporating explanations in analyzing and labeling longitudinal social media data. In this study, we employed a model explanation method, Layer Integrated Gradients, on top of a fine-tuned state-of-the-art language model, to assign each token from Reddit users' posts an attribution score for predicting suicidal ideation. By extracting and analyzing attributions of tokens from the data, we propose a methodology for preliminary screening of social media posts for suicidal ideation without using large language models during inference.

Traditional saliency map methods, popularized in computer vision, highlight individual points (pixels) of the input that contribute the most to the model's output. However, in time-series they offer limited insights as semantically meaningful features are often found in other domains. We introduce Cross-domain Integrated Gradients, a generalization of Integrated Gradients. Our method enables feature attributions on any domain that can be formulated as an invertible, differentiable transformation of the time domain. Crucially, our derivation extends the original Integrated Gradients into the complex domain, enabling frequency-based attributions. We provide the necessary theoretical guarantees, namely, path independence and completeness. Our approach reveals interpretable, problem-specific attributions that time-domain methods cannot capture, on three real-world tasks: wearable sensor heart rate extraction, electroencephalography-based seizure detection, and zero-shot time-series forecasting. We release an open-source Tensorflow/PyTorch library to enable plug-and-play cross-domain explainability for time-series models. These results demonstrate the ability of cross-domain integrated gradients to provide semantically meaningful insights in time-series models that are impossible with traditional time-domain saliency.

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.

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

Although state-of-the-art object detection methods have shown compelling performance, models often are not robust to adversarial attacks and out-of-distribution data. We introduce a new dataset, Natural Adversarial Objects (NAO), to evaluate the robustness of object detection models. NAO contains 7,934 images and 9,943 objects that are unmodified and representative of real-world scenarios, but cause state-of-the-art detection models to misclassify with high confidence. The mean average precision (mAP) of EfficientDet-D7 drops 74.5% when evaluated on NAO compared to the standard MSCOCO validation set. Moreover, by comparing a variety of object detection architectures, we find that better performance on MSCOCO validation set does not necessarily translate to better performance on NAO, suggesting that robustness cannot be simply achieved by training a more accurate model. We further investigate why examples in NAO are difficult to detect and classify. Experiments of shuffling image patches reveal that models are overly sensitive to local texture. Additionally, using integrated gradients and background replacement, we find that the detection model is reliant on pixel information within the bounding box, and insensitive to the background context when predicting class labels. NAO can be downloaded at https://drive.google.com/drive/folders/15P8sOWoJku6SSEiHLEts86ORfytGezi8.

Saliency methods can aid understanding of deep neural networks. Recent years have witnessed many improvements to saliency methods, as well as new ways for evaluating them. In this paper, we 1) present a novel region-based attribution method, XRAI, that builds upon integrated gradients (Sundararajan et al. 2017), 2) introduce evaluation methods for empirically assessing the quality of image-based saliency maps (Performance Information Curves (PICs)), and 3) contribute an axiom-based sanity check for attribution methods. Through empirical experiments and example results, we show that XRAI produces better results than other saliency methods for common models and the ImageNet dataset.

Despite a sea of interpretability methods that can produce plausible explanations, the field has also empirically seen many failure cases of such methods. In light of these results, it remains unclear for practitioners how to use these methods and choose between them in a principled way. In this paper, we show that for moderately rich model classes (easily satisfied by neural networks), any feature attribution method that is complete and linear -- for example, Integrated Gradients and SHAP -- can provably fail to improve on random guessing for inferring model behaviour. Our results apply to common end-tasks such as characterizing local model behaviour, identifying spurious features, and algorithmic recourse. One takeaway from our work is the importance of concretely defining end-tasks: once such an end-task is defined, a simple and direct approach of repeated model evaluations can outperform many other complex feature attribution methods.

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

The study of the attribution of input features to the output of neural network models is an active area of research. While numerous Explainable AI (XAI) techniques have been proposed to interpret these models, the systematic and automated evaluation of these methods in sequence-to-sequence (seq2seq) models is less explored. This paper introduces a new approach for evaluating explainability methods in transformer-based seq2seq models. We use teacher-derived attribution maps as a structured side signal to guide a student model, and quantify the utility of different attribution methods through the student's ability to simulate targets. Using the Inseq library, we extract attribution scores over source-target sequence pairs and inject these scores into the attention mechanism of a student transformer model under four composition operators (addition, multiplication, averaging, and replacement). Across three language pairs (de-en, fr-en, ar-en) and attributions from Marian-MT and mBART models, Attention, Value Zeroing, and Layer Gradient times Activation consistently yield the largest gains in BLEU (and corresponding improvements in chrF) relative to baselines. In contrast, other gradient-based methods (Saliency, Integrated Gradients, DeepLIFT, Input times Gradient, GradientShap) lead to smaller and less consistent improvements. These results suggest that different attribution methods capture distinct signals and that attention-derived attributions better capture alignment between source and target representations in seq2seq models. Finally, we introduce an Attributor transformer that, given a source-target pair, learns to reconstruct the teacher's attribution map. Our findings demonstrate that the more accurately the Attributor can reproduce attribution maps, the more useful an injection of those maps is for the downstream task. The source code can be found on GitHub.

Respiratory diseases remain major global health challenges, and traditional auscultation is often limited by subjectivity, environmental noise, and inter-clinician variability. This study presents an explainable multimodal deep learning framework for automatic lung-disease detection using respiratory audio signals. The proposed system integrates two complementary representations: a spectral-temporal encoder based on a CNN-BiLSTM Attention architecture, and a handcrafted acoustic-feature encoder capturing physiologically meaningful descriptors such as MFCCs, spectral centroid, spectral bandwidth, and zero-crossing rate. These branches are combined through late-stage fusion to leverage both data-driven learning and domain-informed acoustic cues. The model is trained and evaluated on the Asthma Detection Dataset Version 2 using rigorous preprocessing, including resampling, normalization, noise filtering, data augmentation, and patient-level stratified partitioning. The study achieved strong generalization with 91.21% accuracy, 0.899 macro F1-score, and 0.9866 macro ROC-AUC, outperforming all ablated variants. An ablation study confirms the importance of temporal modeling, attention mechanisms, and multimodal fusion. The framework incorporates Grad-CAM, Integrated Gradients, and SHAP, generating interpretable spectral, temporal, and feature-level explanations aligned with known acoustic biomarkers to build clinical transparency. The findings demonstrate the framework's potential for telemedicine, point-of-care diagnostics, and real-world respiratory screening.

Large language models (LLMs) have demonstrated impressive capabilities across a wide range of natural language processing tasks. However, their outputs often exhibit social biases, raising fairness concerns. Existing debiasing methods, such as fine-tuning on additional datasets or prompt engineering, face scalability issues or compromise user experience in multi-turn interactions. To address these challenges, we propose a framework for detecting stereotype-inducing words and attributing neuron-level bias in LLMs, without the need for fine-tuning or prompt modification. Our framework first identifies stereotype-inducing adjectives and nouns via comparative analysis across demographic groups. We then attribute biased behavior to specific neurons using two attribution strategies based on integrated gradients. Finally, we mitigate bias by directly intervening on their activations at the projection layer. Experiments on three widely used LLMs demonstrate that our method effectively reduces bias while preserving overall model performance. Code is available at the github link: https://github.com/XMUDeepLIT/Bi-directional-Bias-Attribution.

Model attributions are important in deep neural networks as they aid practitioners in understanding the models, but recent studies reveal that attributions can be easily perturbed by adding imperceptible noise to the input. The non-differentiable Kendall's rank correlation is a key performance index for attribution protection. In this paper, we first show that the expected Kendall's rank correlation is positively correlated to cosine similarity and then indicate that the direction of attribution is the key to attribution robustness. Based on these findings, we explore the vector space of attribution to explain the shortcomings of attribution defense methods using ell_p norm and propose integrated gradient regularizer (IGR), which maximizes the cosine similarity between natural and perturbed attributions. Our analysis further exposes that IGR encourages neurons with the same activation states for natural samples and the corresponding perturbed samples, which is shown to induce robustness to gradient-based attribution methods. Our experiments on different models and datasets confirm our analysis on attribution protection and demonstrate a decent improvement in adversarial robustness.

Semantic segmentation models are vulnerable to transferable adversarial perturbations, yet evaluating transfer attacks on dense prediction models can be computationally expensive. Existing ensemble attacks often rely on multiple surrogate models, increasing the computation cost, even harder for segmentation. This paper studies an efficient single-source alternative for transferable attacks on semantic segmentation. We formulate transferable attack composition as a chained computation over differentiable attack components, allowing the expensive source-model gradient computation to be shared. To reduce the update instability introduced by chained composition, we further use an integrated-gradient-style path-averaged direction as an empirical stabilization heuristic. Experiments on Pascal VOC and Cityscapes evaluate the resulting transferability efficiency trade-off across CNN- and transformer-based segmentation models. IGME achieves competitive transferability compared with single-source baselines and favorable runtime compared with model-ensemble attacks, while requiring access to only one source model.

Many recent language model (LM) interpretability studies have adopted the circuits framework, which aims to find the minimal computational subgraph, or circuit, that explains LM behavior on a given task. Most studies determine which edges belong in a LM's circuit by performing causal interventions on each edge independently, but this scales poorly with model size. Edge attribution patching (EAP), gradient-based approximation to interventions, has emerged as a scalable but imperfect solution to this problem. In this paper, we introduce a new method - EAP with integrated gradients (EAP-IG) - that aims to better maintain a core property of circuits: faithfulness. A circuit is faithful if all model edges outside the circuit can be ablated without changing the model's performance on the task; faithfulness is what justifies studying circuits, rather than the full model. Our experiments demonstrate that circuits found using EAP are less faithful than those found using EAP-IG, even though both have high node overlap with circuits found previously using causal interventions. We conclude more generally that when using circuits to compare the mechanisms models use to solve tasks, faithfulness, not overlap, is what should be measured.

Despite increasing progress in development of methods for generating visual counterfactual explanations, especially with the recent rise of Denoising Diffusion Probabilistic Models, previous works consider them as an entirely local technique. In this work, we take the first step at globalizing them. Specifically, we discover that the latent space of Diffusion Autoencoders encodes the inference process of a given classifier in the form of global directions. We propose a novel proxy-based approach that discovers two types of these directions with the use of only single image in an entirely black-box manner. Precisely, g-directions allow for flipping the decision of a given classifier on an entire dataset of images, while h-directions further increase the diversity of explanations. We refer to them in general as Global Counterfactual Directions (GCDs). Moreover, we show that GCDs can be naturally combined with Latent Integrated Gradients resulting in a new black-box attribution method, while simultaneously enhancing the understanding of counterfactual explanations. We validate our approach on existing benchmarks and show that it generalizes to real-world use-cases.

Activation patching is a standard method in mechanistic interpretability for localizing the components of a model responsible for specific behaviors, but it is computationally expensive to apply at scale. Attribution patching offers a faster, gradient-based approximation, yet suffers from noise and reduced reliability in deep, highly non-linear networks. In this work, we introduce Relevance Patching (RelP), which replaces the local gradients in attribution patching with propagation coefficients derived from Layer-wise Relevance Propagation (LRP). LRP propagates the network's output backward through the layers, redistributing relevance to lower-level components according to local propagation rules that ensure properties such as relevance conservation or improved signal-to-noise ratio. Like attribution patching, RelP requires only two forward passes and one backward pass, maintaining computational efficiency while improving faithfulness. We validate RelP across a range of models and tasks, showing that it more accurately approximates activation patching than standard attribution patching, particularly when analyzing residual stream and MLP outputs in the Indirect Object Identification (IOI) task. For instance, for MLP outputs in GPT-2 Large, attribution patching achieves a Pearson correlation of 0.006, whereas RelP reaches 0.956, highlighting the improvement offered by RelP. Additionally, we compare the faithfulness of sparse feature circuits identified by RelP and Integrated Gradients (IG), showing that RelP achieves comparable faithfulness without the extra computational cost associated with IG.

The early detection of mental health disorders from social media text is critical for enabling timely support, risk assessment, and referral to appropriate resources. This work introduces multiMentalRoBERTa, a fine-tuned RoBERTa model designed for multiclass classification of common mental health conditions, including stress, anxiety, depression, post-traumatic stress disorder (PTSD), suicidal ideation, and neutral discourse. Drawing on multiple curated datasets, data exploration is conducted to analyze class overlaps, revealing strong correlations between depression and suicidal ideation as well as anxiety and PTSD, while stress emerges as a broad, overlapping category. Comparative experiments with traditional machine learning methods, domain-specific transformers, and prompting-based large language models demonstrate that multiMentalRoBERTa achieves superior performance, with macro F1-scores of 0.839 in the six-class setup and 0.870 in the five-class setup (excluding stress), outperforming both fine-tuned MentalBERT and baseline classifiers. Beyond predictive accuracy, explainability methods, including Layer Integrated Gradients and KeyBERT, are applied to identify lexical cues that drive classification, with a particular focus on distinguishing depression from suicidal ideation. The findings emphasize the effectiveness of fine-tuned transformers for reliable and interpretable detection in sensitive contexts, while also underscoring the importance of fairness, bias mitigation, and human-in-the-loop safety protocols. Overall, multiMentalRoBERTa is presented as a lightweight, robust, and deployable solution for enhancing support in mental health platforms.

Knowledge-grounded dialogue systems aim to generate informative, contextually relevant responses by conditioning on external knowledge sources. However, most existing approaches focus exclusively on English, lack explicit citation mechanisms for verifying factual claims, and offer limited transparency into model decision-making. We present XKD-Dial, a progressive four-stage training pipeline for explainable, knowledge-grounded dialogue generation in a bilingual (English-Hindi) setting, comprising: (1) multilingual adaptation, (2) English dialogue SFT with citation grounding, (3) bilingual dialogue SFT, and (4) GRPO alignment with citation-aware rewards. We evaluate six models spanning encoder-decoder (250M-3B) and decoder-only (1B-7B) architectures at every pipeline stage. Our key contributions are: (i) three post-hoc explainability analyses - cross-attention alignment, Integrated Gradients attribution, and occlusion-based causal grounding - applied systematically across the training trajectory to reveal how citation behaviour is learned, not only whether it is learned; (ii) citation-grounded SFT reduces hallucination to 0.0% for encoder-decoder models from Stage 2 onward; (iii) the progressive pipeline prevents catastrophic forgetting while improving Hindi capabilities; (iv) smaller models match larger models on English after SFT; and (v) GRPO provides marginal improvement over well-designed SFT for structured citation tasks. We evaluate across six automatic metrics (BLEU, ROUGE, BERTScore, FactScore, Citation-F1, and hallucination rate).

Time series are produced continuously at enormous scale by industrial equipment, wearables, power grids, and clinical monitors, yet annotation remains manual, expensive, and expert-dependent. The binding constraint in large-scale time series analytics is therefore not data volume but label volume, and the question facing a practitioner is concrete: how many examples per class must be labeled before a classifier becomes usable? We study this question directly, in a regime where the label space is fixed and known in advance and the decision rule must be constructed from only K labeled examples per class. We propose Dual-Stream OSSE-LSTM, an episodic metric-learning framework that pairs an Omni-Scale CNN with Squeeze-and-Excitation recalibration, for multi-scale motif extraction without per-dataset kernel tuning, with a Bidirectional LSTM for global temporal context. The two streams are independently normalized and fused into a prototype-oriented embedding. Because decisions taken from a few labels must also be explainable, we introduce Counterfactual Integrated Gradients (C-IG), which attributes the prototype margin between target and opposing classes rather than an isolated classifier logit, and reuses the resulting maps as soft masks for test-time prototype refinement without updating the encoder. On 19 univariate UCR datasets, OSSE-LSTM attains the highest average accuracy and per-dataset win count at every support size, and its accuracy remains within a 0.36-point band (96.36-96.72%) across that range. Its weakest configuration still exceeding the best result any compared baseline achieves at any K (93.99%).

We investigate the performance of a state-of-the art (SoTA) architecture T5 (available on the SuperGLUE) and compare with it 3 other previous SoTA architectures across 5 different tasks from 2 relatively diverse datasets. The datasets are diverse in terms of the number and types of tasks they have. To improve performance, we augment the training data by using an autoregressive model. We achieve near-SoTA results on a couple of the tasks - macro F1 scores of 81.66% for task A of the OLID 2019 dataset and 82.54% for task A of the hate speech and offensive content (HASOC) 2021 dataset, where SoTA are 82.9% and 83.05%, respectively. We perform error analysis and explain why one of the models (Bi-LSTM) makes the predictions it does by using a publicly available algorithm: Integrated Gradient (IG). This is because explainable artificial intelligence (XAI) is essential for earning the trust of users. The main contributions of this work are the implementation method of T5, which is discussed; the data augmentation using a new conversational AI model checkpoint, which brought performance improvements; and the revelation on the shortcomings of HASOC 2021 dataset. It reveals the difficulties of poor data annotation by using a small set of examples where the T5 model made the correct predictions, even when the ground truth of the test set were incorrect (in our opinion). We also provide our model checkpoints on the HuggingFace hub1 to foster transparency.

Hallucination has emerged as the most vulnerable aspect of contemporary Large Language Models (LLMs). In this paper, we introduce the Sorry, Come Again (SCA) prompting, aimed to avoid LLM hallucinations by enhancing comprehension through: (i) optimal paraphrasing and (ii) injecting [PAUSE] tokens to delay LLM generation. First, we provide an in-depth analysis of linguistic nuances: formality, readability, and concreteness of prompts for 21 LLMs, and elucidate how these nuances contribute to hallucinated generation. Prompts with lower readability, formality, or concreteness pose comprehension challenges for LLMs, similar to those faced by humans. In such scenarios, an LLM tends to speculate and generate content based on its imagination (associative memory) to fill these information gaps. Although these speculations may occasionally align with factual information, their accuracy is not assured, often resulting in hallucination. Recent studies reveal that an LLM often neglects the middle sections of extended prompts, a phenomenon termed as lost in the middle. While a specific paraphrase may suit one LLM, the same paraphrased version may elicit a different response from another LLM. Therefore, we propose an optimal paraphrasing technique to identify the most comprehensible paraphrase of a given prompt, evaluated using Integrated Gradient (and its variations) to guarantee that the LLM accurately processes all words. While reading lengthy sentences, humans often pause at various points to better comprehend the meaning read thus far. We have fine-tuned an LLM with injected [PAUSE] tokens, allowing the LLM to pause while reading lengthier prompts. This has brought several key contributions: (i) determining the optimal position to inject [PAUSE], (ii) determining the number of [PAUSE] tokens to be inserted, and (iii) introducing reverse proxy tuning to fine-tune the LLM for [PAUSE] insertion.

The outbreak of COVID-19 has shocked the entire world with its fairly rapid spread and has challenged different sectors. One of the most effective ways to limit its spread is the early and accurate diagnosing infected patients. Medical imaging, such as X-ray and Computed Tomography (CT), combined with the potential of Artificial Intelligence (AI), plays an essential role in supporting medical personnel in the diagnosis process. Thus, in this article five different deep learning models (ResNet18, ResNet34, InceptionV3, InceptionResNetV2 and DenseNet161) and their ensemble, using majority voting have been used to classify COVID-19, pneumoni{\ae} and healthy subjects using chest X-ray images. Multilabel classification was performed to predict multiple pathologies for each patient, if present. Firstly, the interpretability of each of the networks was thoroughly studied using local interpretability methods - occlusion, saliency, input X gradient, guided backpropagation, integrated gradients, and DeepLIFT, and using a global technique - neuron activation profiles. The mean Micro-F1 score of the models for COVID-19 classifications ranges from 0.66 to 0.875, and is 0.89 for the ensemble of the network models. The qualitative results showed that the ResNets were the most interpretable models. This research demonstrates the importance of using interpretability methods to compare different models before making a decision regarding the best performing model.

Long-context models (LCMs) have demonstrated great potential in processing long sequences, facilitating many real-world applications. The success of LCMs can be attributed to their ability to locate implicit critical information within the context for further prediction. However, recent research reveals that LCMs are often susceptible to contextual noise, i.e., irrelevant tokens, that can mislead model attention. In this paper, we conduct a fine-grained analysis of the context noise and propose an effective metric, the Integrated Gradient (IG) score, to detect and quantify the noise information within the context. Our findings reveal that even simple mitigation of detected context noise can substantially boost the model's attention on critical tokens and benefit subsequent predictions. Building on this insight, we propose Context Denoising Training (CDT), a straightforward yet effective training strategy that improves attention on critical tokens while reinforcing their influence on model predictions. Extensive experiments across four tasks, under both context window scaling and long-context alignment settings, demonstrate the superiority of CDT. Notably, when trained with CDT, an open-source 8B model can achieve performance (50.92) comparable to GPT-4o (51.00).

With the perpetual increase of complexity of the state-of-the-art deep neural networks, it becomes a more and more challenging task to maintain their interpretability. Our work aims to evaluate the effects of adversarial training utilized to produce robust models - less vulnerable to adversarial attacks. It has been shown to make computer vision models more interpretable. Interpretability is as essential as robustness when we deploy the models to the real world. To prove the correlation between these two problems, we extensively examine the models using local feature-importance methods (SHAP, Integrated Gradients) and feature visualization techniques (Representation Inversion, Class Specific Image Generation). Standard models, compared to robust are more susceptible to adversarial attacks, and their learned representations are less meaningful to humans. Conversely, these models focus on distinctive regions of the images which support their predictions. Moreover, the features learned by the robust model are closer to the real ones.

It is widely acknowledged that large language models (LLMs) encode a vast reservoir of knowledge after being trained on mass data. Recent studies disclose knowledge conflicts in LLM generation, wherein outdated or incorrect parametric knowledge (i.e., encoded knowledge) contradicts new knowledge provided in the context. To mitigate such knowledge conflicts, we propose a novel framework, IRCAN (Identifying and Reweighting Context-Aware Neurons) to capitalize on neurons that are crucial in processing contextual cues. Specifically, IRCAN first identifies neurons that significantly contribute to context processing, utilizing a context-aware attribution score derived from integrated gradients. Subsequently, the identified context-aware neurons are strengthened via reweighting. In doing so, we steer LLMs to generate context-sensitive outputs with respect to the new knowledge provided in the context. Extensive experiments conducted across a variety of models and tasks demonstrate that IRCAN not only achieves remarkable improvements in handling knowledge conflicts but also offers a scalable, plug-andplay solution that can be integrated seamlessly with existing models.

By computing the rank correlation between attention weights and feature-additive explanation methods, previous analyses either invalidate or support the role of attention-based explanations as a faithful and plausible measure of salience. To investigate whether this approach is appropriate, we compare LIME, Integrated Gradients, DeepLIFT, Grad-SHAP, Deep-SHAP, and attention-based explanations, applied to two neural architectures trained on single- and pair-sequence language tasks. In most cases, we find that none of our chosen methods agree. Based on our empirical observations and theoretical objections, we conclude that rank correlation does not measure the quality of feature-additive methods. Practitioners should instead use the numerous and rigorous diagnostic methods proposed by the community.

In current AI era, users may request AI companies to delete their data from the training dataset due to the privacy concerns. As a model owner, retraining a model will consume significant computational resources. Therefore, machine unlearning is a new emerged technology to allow model owner to delete requested training data or a class with little affecting on the model performance. However, for large-scaling complex data, such as image or text data, unlearning a class from a model leads to a inferior performance due to the difficulty to identify the link between classes and model. An inaccurate class deleting may lead to over or under unlearning. In this paper, to accurately defining the unlearning class of complex data, we apply the definition of Concept, rather than an image feature or a token of text data, to represent the semantic information of unlearning class. This new representation can cut the link between the model and the class, leading to a complete erasing of the impact of a class. To analyze the impact of the concept of complex data, we adopt a Post-hoc Concept Bottleneck Model, and Integrated Gradients to precisely identify concepts across different classes. Next, we take advantage of data poisoning with random and targeted labels to propose unlearning methods. We test our methods on both image classification models and large language models (LLMs). The results consistently show that the proposed methods can accurately erase targeted information from models and can largely maintain the performance of the models.

The growing complexity of machine learning and deep learning models has led to an increased reliance on opaque "black box" systems, making it difficult to understand the rationale behind predictions. This lack of transparency is particularly challenging in high-stakes applications where interpretability is as important as accuracy. Post-hoc explanation methods are commonly used to interpret these models, but they are seldom rigorously evaluated, raising concerns about their reliability. The Python package xai_evals addresses this by providing a comprehensive framework for generating, benchmarking, and evaluating explanation methods across both tabular and image data modalities. It integrates popular techniques like SHAP, LIME, Grad-CAM, Integrated Gradients (IG), and Backtrace, while supporting evaluation metrics such as faithfulness, sensitivity, and robustness. xai_evals enhances the interpretability of machine learning models, fostering transparency and trust in AI systems. The library is open-sourced at https://pypi.org/project/xai-evals/ .

Deep learning has driven significant advances in medical image analysis, yet its adoption in clinical practice remains constrained by the large size and lack of transparency in modern models. Advances in interpretability techniques such as DL-Backtrace, Layer-wise Relevance Propagation, and Integrated Gradients make it possible to assess the contribution of individual components within neural networks trained on medical imaging tasks. In this work, we introduce an interpretability-guided pruning framework that reduces model complexity while preserving both predictive performance and transparency. By selectively retaining only the most relevant parts of each layer, our method enables targeted compression that maintains clinically meaningful representations. Experiments across multiple medical image classification benchmarks demonstrate that this approach achieves high compression rates with minimal loss in accuracy, paving the way for lightweight, interpretable models suited for real-world deployment in healthcare settings.

Control Flow Graphs (CFGs) are critical for analyzing program execution and characterizing malware behavior. With the growing adoption of Graph Neural Networks (GNNs), CFG-based representations have proven highly effective for malware detection. This study proposes a novel framework that dynamically constructs CFGs and embeds node features using a hybrid approach combining rule-based encoding and autoencoder-based embedding. A GNN-based classifier is then constructed to detect malicious behavior from the resulting graph representations. To improve model interpretability, we apply state-of-the-art explainability techniques, including GNNExplainer, PGExplainer, and CaptumExplainer, the latter is utilized three attribution methods: Integrated Gradients, Guided Backpropagation, and Saliency. In addition, we introduce a novel aggregation method, called RankFusion, that integrates the outputs of the top-performing explainers to enhance the explanation quality. We also evaluate explanations using two subgraph extraction strategies, including the proposed Greedy Edge-wise Composition (GEC) method for improved structural coherence. A comprehensive evaluation using accuracy, fidelity, and consistency metrics demonstrates the effectiveness of the proposed framework in terms of accurate identification of malware samples and generating reliable and interpretable explanations.

The unrestrained proliferation of cells that are malignant in nature is cancer. In recent times, medical professionals are constantly acquiring enhanced diagnostic and treatment abilities by implementing deep learning models to analyze medical data for better clinical decision, disease diagnosis and drug discovery. A majority of cancers are studied and treated by incorporating these technologies. However, ovarian cancer remains a dilemma as it has inaccurate non-invasive detection procedures and a time consuming, invasive procedure for accurate detection. Thus, in this research, several Convolutional Neural Networks such as LeNet-5, ResNet, VGGNet and GoogLeNet/Inception have been utilized to develop 15 variants and choose a model that accurately detects and identifies ovarian cancer. For effective model training, the dataset OvarianCancer&SubtypesDatasetHistopathology from Mendeley has been used. After constructing a model, we utilized Explainable Artificial Intelligence (XAI) models such as LIME, Integrated Gradients and SHAP to explain the black box outcome of the selected model. For evaluating the performance of the model, Accuracy, Precision, Recall, F1-Score, ROC Curve and AUC have been used. From the evaluation, it was seen that the slightly compact InceptionV3 model with ReLu had the overall best result achieving an average score of 94% across all the performance metrics in the augmented dataset. Lastly for XAI, the three aforementioned XAI have been used for an overall comparative analysis. It is the aim of this research that the contributions of the study will help in achieving a better detection method for ovarian cancer.

Machine unlearning aims to remove the influence of specific training data from a model while preserving reliable behavior on the remaining data, making reliable prediction and uncertainty estimation essential for evaluation. Calibration is commonly used as a proxy for reliability in language models, but low calibration error does not necessarily imply reliable decision rules, as models may rely on spurious correlations while remaining well calibrated. We investigate this gap in generative language models using the multiple-choice question-answering evaluation protocol on the TOFU benchmark, measuring probabilistic reliability with calibration metrics (ECE, MCE, Brier) and decision-rule reliability via attribution-based shortcut detection with Integrated Gradients and Local Mutual Information. We find that fine-tuned models achieve low calibration error (ECE ~ 0.04) compared to pretrained models (ECE > 0.5), and models after unlearning retain similarly low calibration despite reduced accuracy on the forget split, while attribution analysis shows increased reliance on correlation-based tokens. These results demonstrate that good calibration can coexist with shortcut-based decision rules after unlearning, extending the reliability paradox to the machine unlearning setting.

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

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

Existing medical RAG systems mainly leverage knowledge from medical knowledge bases, neglecting the crucial role of experiential knowledge derived from similar patient cases -- a key component of human clinical reasoning. To bridge this gap, we propose DoctorRAG, a RAG framework that emulates doctor-like reasoning by integrating both explicit clinical knowledge and implicit case-based experience. DoctorRAG enhances retrieval precision by first allocating conceptual tags for queries and knowledge sources, together with a hybrid retrieval mechanism from both relevant knowledge and patient. In addition, a Med-TextGrad module using multi-agent textual gradients is integrated to ensure that the final output adheres to the retrieved knowledge and patient query. Comprehensive experiments on multilingual, multitask datasets demonstrate that DoctorRAG significantly outperforms strong baseline RAG models and gains improvements from iterative refinements. Our approach generates more accurate, relevant, and comprehensive responses, taking a step towards more doctor-like medical reasoning systems.

Self-supervised monocular scene flow estimation, aiming to understand both 3D structures and 3D motions from two temporally consecutive monocular images, has received increasing attention for its simple and economical sensor setup. However, the accuracy of current methods suffers from the bottleneck of less-efficient network architecture and lack of motion rigidity for regularization. In this paper, we propose a superior model named EMR-MSF by borrowing the advantages of network architecture design under the scope of supervised learning. We further impose explicit and robust geometric constraints with an elaborately constructed ego-motion aggregation module where a rigidity soft mask is proposed to filter out dynamic regions for stable ego-motion estimation using static regions. Moreover, we propose a motion consistency loss along with a mask regularization loss to fully exploit static regions. Several efficient training strategies are integrated including a gradient detachment technique and an enhanced view synthesis process for better performance. Our proposed method outperforms the previous self-supervised works by a large margin and catches up to the performance of supervised methods. On the KITTI scene flow benchmark, our approach improves the SF-all metric of the state-of-the-art self-supervised monocular method by 44% and demonstrates superior performance across sub-tasks including depth and visual odometry, amongst other self-supervised single-task or multi-task methods.

Multi-robot systems have increasingly become instrumental in tackling search and coverage problems. However, the challenge of optimizing task efficiency without compromising task success still persists, particularly in expansive, unstructured environments with dense obstacles. This paper presents an innovative, decentralized Voronoi-based approach for search and coverage to reactively navigate these complexities while maintaining safety. This approach leverages the active sensing capabilities of multi-robot systems to supplement GIS (Geographic Information System), offering a more comprehensive and real-time understanding of the environment. Based on point cloud data, which is inherently non-convex and unstructured, this method efficiently generates collision-free Voronoi regions using only local sensing information through spatial decomposition and spherical mirroring techniques. Then, deadlock-aware guided map integrated with a gradient-optimized, centroid Voronoi-based coverage control policy, is constructed to improve efficiency by avoiding exhaustive searches and local sensing pitfalls. The effectiveness of our algorithm has been validated through extensive numerical simulations in high-fidelity environments, demonstrating significant improvements in both task success rate, coverage ratio, and task execution time compared with others.

We present Integrated Multimodal Perception (IMP), a simple and scalable multimodal multi-task training and modeling approach. IMP integrates multimodal inputs including image, video, text, and audio into a single Transformer encoder with minimal modality-specific components. IMP makes use of a novel design that combines Alternating Gradient Descent (AGD) and Mixture-of-Experts (MoE) for efficient model \& task scaling. We conduct extensive empirical studies about IMP and reveal the following key insights: 1) performing gradient descent updates by alternating on diverse heterogeneous modalities, loss functions, and tasks, while also varying input resolutions, efficiently improves multimodal understanding. 2) model sparsification with MoE on a single modality-agnostic encoder substantially improves the performance, outperforming dense models that use modality-specific encoders or additional fusion layers and greatly mitigating the conflicts between modalities. IMP achieves competitive performance on a wide range of downstream tasks including image classification, video classification, image-text, and video-text retrieval. Most notably, we train a sparse IMP-MoE-L focusing on video tasks that achieves new state-of-the-art in zero-shot video classification. Our model achieves 77.0% on Kinetics-400, 76.8% on Kinetics-600, and 76.8% on Kinetics-700 zero-shot classification accuracy, improving the previous state-of-the-art by +5%, +6.7%, and +5.8%, respectively, while using only 15% of their total training computational cost.

This work proposes a framework for optimizing machine learning algorithms. The practicality of the framework is illustrated using an important case study from the healthcare domain, which is predicting the admission status of emergency department (ED) patients (e.g., admitted vs. discharged) using patient data at the time of triage. The proposed framework can mitigate the crowding problem by proactively planning the patient boarding process. A large retrospective dataset of patient records is obtained from the electronic health record database of all ED visits over three years from three major locations of a healthcare provider in the Midwest of the US. Three machine learning algorithms are proposed: T-XGB, T-ADAB, and T-MLP. T-XGB integrates extreme gradient boosting (XGB) and Tabu Search (TS), T-ADAB integrates Adaboost and TS, and T-MLP integrates multi-layer perceptron (MLP) and TS. The proposed algorithms are compared with the traditional algorithms: XGB, ADAB, and MLP, in which their parameters are tunned using grid search. The three proposed algorithms and the original ones are trained and tested using nine data groups that are obtained from different feature selection methods. In other words, 54 models are developed. Performance was evaluated using five measures: Area under the curve (AUC), sensitivity, specificity, F1, and accuracy. The results show that the newly proposed algorithms resulted in high AUC and outperformed the traditional algorithms. The T-ADAB performs the best among the newly developed algorithms. The AUC, sensitivity, specificity, F1, and accuracy of the best model are 95.4%, 99.3%, 91.4%, 95.2%, 97.2%, respectively.

The 7-point checklist (7PCL) is a widely used diagnostic tool in dermoscopy for identifying malignant melanoma by assigning point values to seven specific attributes. However, the traditional 7PCL is limited to distinguishing between malignant melanoma and melanocytic Nevi, and falls short in scenarios where multiple skin diseases with appearances similar to melanoma coexist. To address this limitation, we propose a novel diagnostic framework that integrates a clinical knowledge-based topological graph (CKTG) with a gradient diagnostic strategy featuring a data-driven weighting system (GD-DDW). The CKTG captures both the internal and external relationships among the 7PCL attributes, while the GD-DDW emulates dermatologists' diagnostic processes, prioritizing visual observation before making predictions. Additionally, we introduce a multimodal feature extraction approach leveraging a dual-attention mechanism to enhance feature extraction through cross-modal interaction and unimodal collaboration. This method incorporates meta-information to uncover interactions between clinical data and image features, ensuring more accurate and robust predictions. Our approach, evaluated on the EDRA dataset, achieved an average AUC of 88.6%, demonstrating superior performance in melanoma detection and feature prediction. This integrated system provides data-driven benchmarks for clinicians, significantly enhancing the precision of melanoma diagnosis.

Optical Coherence Tomography (OCT) is essential for diagnosing conditions such as glaucoma, diabetic retinopathy, and age-related macular degeneration. Accurate retinal layer segmentation enables quantitative biomarkers critical for clinical decision-making, but manual segmentation is time-consuming and variable, while conventional deep learning models often lack interpretability. This work proposes an improved SegNet-based deep learning framework for automated and interpretable retinal layer segmentation. Architectural innovations, including modified pooling strategies, enhance feature extraction from noisy OCT images, while a hybrid loss function combining categorical cross-entropy and Dice loss improves performance for thin and imbalanced retinal layers. Gradient-weighted Class Activation Mapping (Grad-CAM) is integrated to provide visual explanations, allowing clinical validation of model decisions. Trained and validated on the Duke OCT dataset, the framework achieved 95.77% validation accuracy, a Dice coefficient of 0.9446, and a Jaccard Index (IoU) of 0.8951. Class-wise results confirmed robust performance across most layers, with challenges remaining for thinner boundaries. Grad-CAM visualizations highlighted anatomically relevant regions, aligning segmentation with clinical biomarkers and improving transparency. By combining architectural improvements, a customized hybrid loss, and explainable AI, this study delivers a high-performing SegNet-based framework that bridges the gap between accuracy and interpretability. The approach offers strong potential for standardizing OCT analysis, enhancing diagnostic efficiency, and fostering clinical trust in AI-driven ophthalmic tools.

Scaling inference-time compute for Large Language Models (LLMs) has unlocked unprecedented reasoning capabilities. However, existing inference-time scaling methods typically rely on inefficient and suboptimal discrete search algorithms or trial-and-error prompting to improve the online policy. In this paper, we propose nabla-Reasoner, an iterative generation framework that integrates differentiable optimization over token logits into the decoding loop to refine the policy on the fly. Our core component, Differentiable Textual Optimization (DTO), leverages gradient signals from both the LLM's likelihood and a reward model to refine textual representations. nabla-Reasoner further incorporates rejection sampling and acceleration design to robustify and speed up decoding. Theoretically, we show that performing inference-time gradient descent in the sample space to maximize reward is dual to aligning an LLM policy via KL-regularized reinforcement learning. Empirically, nabla-Reasoner achieves over 20% accuracy improvement on a challenging mathematical reasoning benchmark, while reducing number of model calls by approximately 10-40% compared to strong baselines. Overall, our work introduces a paradigm shift from zeroth-order search to first-order optimization at test time, offering a cost-effective path to amplify LLM reasoning.

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.

This paper presents Deep Integrated Explanations (DIX) - a universal method for explaining vision models. DIX generates explanation maps by integrating information from the intermediate representations of the model, coupled with their corresponding gradients. Through an extensive array of both objective and subjective evaluations spanning diverse tasks, datasets, and model configurations, we showcase the efficacy of DIX in generating faithful and accurate explanation maps, while surpassing current state-of-the-art methods.

Clipping the gradient is a known approach to improving gradient descent, but requires hand selection of a clipping threshold hyperparameter. We present AutoClip, a simple method for automatically and adaptively choosing a gradient clipping threshold, based on the history of gradient norms observed during training. Experimental results show that applying AutoClip results in improved generalization performance for audio source separation networks. Observation of the training dynamics of a separation network trained with and without AutoClip show that AutoClip guides optimization into smoother parts of the loss landscape. AutoClip is very simple to implement and can be integrated readily into a variety of applications across multiple domains.

Large language models (LLMs) have shown impressive performance across a range of natural language processing tasks. However, their vast number of parameters introduces significant memory challenges during training, particularly when using memory-intensive optimizers like Adam. Existing memory-efficient algorithms often rely on techniques such as singular value decomposition projection or weight freezing. While these approaches help alleviate memory constraints, they generally produce suboptimal results compared to full-rank updates. In this paper, we investigate the memory-efficient method beyond low-rank training, proposing a novel solution called Gradient Wavelet Transform (GWT), which applies wavelet transforms to gradients in order to significantly reduce the memory requirements for maintaining optimizer states. We demonstrate that GWT can be seamlessly integrated with memory-intensive optimizers, enabling efficient training without sacrificing performance. Through extensive experiments on both pre-training and fine-tuning tasks, we show that GWT achieves state-of-the-art performance compared with advanced memory-efficient optimizers and full-rank approaches in terms of both memory usage and training performance.

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

We introduce LongCat-Flash-Prover, a flagship 560-billion-parameter open-source Mixture-of- Experts (MoE) model that advances Native Formal Reasoning in Lean4 through agentic tool-integrated reasoning (TIR). We decompose the native formal reasoning task into three independent formal capabilities, i.e., auto-formalization, sketching, and proving. To facilitate these capabilities, we propose a Hybrid-Experts Iteration Framework to expand high-quality task trajectories, including generating a formal statement based on a given informal problem, producing a whole-proof directly from the statement, or a lemma-style sketch. During agentic RL, we present a Hierarchical Importance Sampling Policy Optimization (HisPO) algorithm, which aims to stabilize the MoE model training on such long-horizon tasks. It employs a gradient masking strategy that accounts for the policy staleness and the inherent train-inference engine discrepancies at both sequence and token levels. Additionally, we also incorporate theorem consistency and legality detection mechanisms to eliminate reward hacking issues. Extensive evaluations show that our LongCat-Flash-Prover sets a new state-of-the-art for open-weights models in both auto-formalization and theorem proving. Demonstrating remarkable sample efficiency, it achieves a 97.1% pass rate on MiniF2F-Test using only 72 inference budget per problem. On more challenging benchmarks, it solves 70.8% of ProverBench and 41.5% of PutnamBench with no more than 220 attempts per problem, significantly outperforming existing open-weights baselines.

Straight-through estimator (STE), which enables the gradient flow over the non-differentiable function via approximation, has been favored in studies related to quantization-aware training (QAT). However, STE incurs unstable convergence during QAT, resulting in notable quality degradation in low precision. Recently, pseudoquantization training has been proposed as an alternative approach to updating the learnable parameters using the pseudo-quantization noise instead of STE. In this study, we propose a novel noise proxy-based integrated pseudoquantization (NIPQ) that enables unified support of pseudoquantization for both activation and weight by integrating the idea of truncation on the pseudo-quantization framework. NIPQ updates all of the quantization parameters (e.g., bit-width and truncation boundary) as well as the network parameters via gradient descent without STE instability. According to our extensive experiments, NIPQ outperforms existing quantization algorithms in various vision and language applications by a large margin.

Low-Rank Adaptation (LoRA) has become a popular solution for fine-tuning large language models (LLMs) in federated settings, dramatically reducing update costs by introducing trainable low-rank matrices. However, when integrated with frameworks like FedIT, LoRA introduces a critical vulnerability: clients submit A and B matrices separately, while only their product AB determines the model update, yet this composite is never directly verified. We propose Gradient Assembly Poisoning (GAP), a novel attack that exploits this blind spot by crafting individually benign A and B matrices whose product yields malicious updates. GAP operates without access to training data or inter-client coordination and remains undetected by standard anomaly detectors. We identify four systemic vulnerabilities in LoRA-based federated systems and validate GAP across LLaMA, ChatGLM, and GPT-2. GAP consistently induces degraded or biased outputs while preserving surface fluency, reducing BLEU by up to 14.5\%, increasing factual and grammatical errors by over 800\%, and maintaining 92.6\% long-form response length. These results reveal a new class of stealthy, persistent threats in distributed LoRA fine-tuning.

Recently, diffusion models have been widely adopted in generative modeling and have served as foundational models for many image generation tasks. To control the generation without costly re-training or fine-tuning, many works seek inference-time guidance methods to steer the latent via a differentiable objective at inference time. However, these methods cannot effectively preserve the original Gaussian distribution because they introduce distributional drift, thereby degrading the sample quality. To address this gap, we propose DiffRGD, a distribution-aware guidance framework that explicitly preserves the latent Gaussian structure. DiffRGD formulates each sampling step as a constrained optimization problem on a spherical manifold induced by the latent Gaussian distribution, and solves it efficiently via Riemannian Gradient Descent (RGD). DiffRGD is a plug-and-play method that can be seamlessly integrated into any pre-trained diffusion model. Extensive experiments demonstrate that DiffRGD outperforms previous methods in most image restoration and conditional generation tasks. Our project page is available at https://diffrgd.github.io/.

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

Tabular data underpins decisions across science, industry, and public services. Despite rapid progress, advances in deep learning have not fully carried over to the tabular domain, where gradient-boosted decision trees (GBDTs) remain a default choice in practice. We present iLTM, an integrated Large Tabular Model that unifies tree-derived embeddings, dimensionality-agnostic representations, a meta-trained hypernetwork, multilayer perceptrons (MLPs), and retrieval within a single architecture. Pretrained on more than 1,800 heterogeneous classification datasets, iLTM achieves consistently superior performance across tabular classification and regression tasks, from small datasets to large and high-dimensional tasks. After light fine-tuning, the meta-trained hypernetwork transfers to regression targets, matching or surpassing strong baselines. Extensive experiments show that iLTM outperforms well-tuned GBDTs and leading deep tabular models while requiring less task-specific tuning. By bridging the gap between tree-based and neural methods, iLTM offers a new framework for tabular foundation models for robust, adaptable, and scalable tabular learning.

To stabilize the training of Large Language Models (LLMs), gradient clipping is a nearly ubiquitous heuristic used to alleviate exploding gradients. However, traditional global norm clipping erroneously presupposes gradient homogeneity across different functional modules, leading to an adverse "spill-over" effect where volatile parameters force unnecessary scaling on stable ones. To overcome this, we propose Adaptive Group-wise Gradient Clipping (AGGC). AGGC partitions parameters into groups based on functional types and regulates each according to its historical behavior using an Exponential Moving Average (EMA). Specifically, it constructs an adaptive interval to simultaneously mitigate gradient explosion and vanishing, while employing a time-dependent scheduling mechanism to balance exploration and convergence. Experiments on LLaMA 2-7B, Mistral-7B, and Gemma-7B models show that AGGC consistently outperforms LoRA and frequently surpasses Full Fine-Tuning. On the GSM8K benchmark, Mistral-7B fine-tuned with AGGC achieves an accuracy of 72.93%, exceeding LoRA's 69.5%. AGGC also effectively stabilizes Reinforcement Learning with Verifiable Rewards (RLVR), enhancing the logic deduction of Qwen 2.5 and Llama 3.2 models. Experimental results demonstrate that AGGC effectively addresses the limitations of traditional gradient clipping methods, particularly in overcoming gradient heterogeneity, by utilizing a modular, adaptive clipping strategy to stabilize the training process. Due to its lightweight design, AGGC can be seamlessly integrated into existing post-training pipelines with negligible overhead.

We introduce Iterated Integrated Attributions (IIA) - a generic method for explaining the predictions of vision models. IIA employs iterative integration across the input image, the internal representations generated by the model, and their gradients, yielding precise and focused explanation maps. We demonstrate the effectiveness of IIA through comprehensive evaluations across various tasks, datasets, and network architectures. Our results showcase that IIA produces accurate explanation maps, outperforming other state-of-the-art explanation techniques.

Large Language Models (LLMs) can significantly improve their reasoning capabilities by interacting with external tools, a paradigm known as Tool-Integrated Reasoning (TIR). However, extending TIR to multi-turn scenarios using Reinforcement Learning (RL) is often hindered by training instability and performance collapse. We identify that such instability is primarily caused by a distributional drift from external tool feedback, leading to the generation of low-probability tokens. This issue compounds over successive turns, causing catastrophic gradient norm explosions that derail the training process. To address this challenge, we introduce SimpleTIR , a plug-and-play algorithm that stabilizes multi-turn TIR training. Its core strategy is to identify and filter out trajectories containing void turns, i.e., turns that yield neither a code block nor a final answer. By removing these problematic trajectories from the policy update, SimpleTIR effectively blocks the harmful, high-magnitude gradients, thus stabilizing the learning dynamics. Extensive experiments show that SimpleTIR achieves state-of-the-art performance on challenging math reasoning benchmarks, notably elevating the AIME24 score from a text-only baseline of 22.1 to 50.5 when starting from the Qwen2.5-7B base model. Furthermore, by avoiding the constraints of supervised fine-tuning, SimpleTIR encourages the model to discover diverse and sophisticated reasoning patterns, such as self-correction and cross-validation.

Large Language Models (LLMs) with a billion or more parameters are prime targets for network pruning, which aims to reduce a portion of the network weights without compromising performance. Prior approaches such as Weights Magnitude, SparseGPT, and Wanda, either concentrated solely on weights or integrated weights with activations for sparsity. However, they overlooked the informative gradients derived from pretrained large language models. In this paper, we present a novel sparsity-centric pruning method for pretrained LLMs, termed Gradient-based Language Model Pruner (GBLM-Pruner). GBLM-Pruner leverages the first-order term of the Taylor expansion, operating in a training-free manner by harnessing properly normalized gradients from a few calibration samples to determine the importance pruning score, and substantially outperforms competitive counterparts like SparseGPT and Wanda in multiple benchmarks. Intriguing, after incorporating gradients, the unstructured pruning method tends to reveal some structural patterns post-pruning, which mirrors the geometric interdependence inherent in the LLMs' parameter structure. Additionally, GBLM-Pruner functions without any subsequent retraining or weight updates to maintain its simplicity as other counterparts. Extensive evaluations on LLaMA-1 and LLaMA-2 across various language benchmarks and perplexity show that GBLM-Pruner surpasses magnitude pruning, Wanda (weights+activations) and SparseGPT (weights+activations+weight update) by significant margins. Our code and models are available at https://github.com/RocktimJyotiDas/GBLM-Pruner.

Recommender systems learn from historical user-item interactions to identify preferred items for target users. These observed interactions are usually unbalanced following a long-tailed distribution. Such long-tailed data lead to popularity bias to recommend popular but not personalized items to users. We present a gradient perspective to understand two negative impacts of popularity bias in recommendation model optimization: (i) the gradient direction of popular item embeddings is closer to that of positive interactions, and (ii) the magnitude of positive gradient for popular items are much greater than that of unpopular items. To address these issues, we propose a simple yet efficient framework to mitigate popularity bias from a gradient perspective. Specifically, we first normalize each user embedding and record accumulated gradients of users and items via popularity bias measures in model training. To address the popularity bias issues, we develop a gradient-based embedding adjustment approach used in model testing. This strategy is generic, model-agnostic, and can be seamlessly integrated into most existing recommender systems. Our extensive experiments on two classic recommendation models and four real-world datasets demonstrate the effectiveness of our method over state-of-the-art debiasing baselines.

Federated Learning (FL) aims to protect data privacy by enabling clients to collectively train machine learning models without sharing their raw data. However, recent studies demonstrate that information exchanged during FL is subject to Gradient Inversion Attacks (GIA) and, consequently, a variety of privacy-preserving methods have been integrated into FL to thwart such attacks, such as Secure Multi-party Computing (SMC), Homomorphic Encryption (HE), and Differential Privacy (DP). Despite their ability to protect data privacy, these approaches inherently involve substantial privacy-utility trade-offs. By revisiting the key to privacy exposure in FL under GIA, which lies in the frequent sharing of model gradients that contain private data, we take a new perspective by designing a novel privacy preserve FL framework that effectively ``breaks the direct connection'' between the shared parameters and the local private data to defend against GIA. Specifically, we propose a Hypernetwork Federated Learning (HyperFL) framework that utilizes hypernetworks to generate the parameters of the local model and only the hypernetwork parameters are uploaded to the server for aggregation. Theoretical analyses demonstrate the convergence rate of the proposed HyperFL, while extensive experimental results show the privacy-preserving capability and comparable performance of HyperFL. Code is available at https://github.com/Pengxin-Guo/HyperFL.

Policy gradient algorithms have been successfully applied to enhance the reasoning capabilities of large language models (LLMs). Despite the widespread use of Kullback-Leibler (KL) regularization in policy gradient algorithms to stabilize training, the systematic exploration of how different KL divergence formulations can be estimated and integrated into surrogate loss functions for online reinforcement learning (RL) presents a nuanced and systematically explorable design space. In this paper, we propose regularized policy gradient (RPG), a systematic framework for deriving and analyzing KL-regularized policy gradient methods in the online RL setting. We derive policy gradients and corresponding surrogate loss functions for objectives regularized by both forward and reverse KL divergences, considering both normalized and unnormalized policy distributions. Furthermore, we present derivations for fully differentiable loss functions as well as REINFORCE-style gradient estimators, accommodating diverse algorithmic needs. We conduct extensive experiments on RL for LLM reasoning using these methods, showing improved or competitive results in terms of training stability and performance compared to strong baselines such as GRPO, REINFORCE++, and DAPO. The code is available at https://github.com/complex-reasoning/RPG.

We present a data-driven control framework for partial differential equations (PDEs). Our approach integrates Time-Integrated Deep Operator Networks (TI-DeepONets) as differentiable PDE surrogate models within the Differentiable Predictive Control (DPC)-a self-supervised learning framework for constrained neural control policies. The TI-DeepONet architecture learns temporal derivatives and couples them with numerical integrators, while the DPC algorithm uses automatic differentiation to compute policy gradients by backpropagating the expectations of the optimal control loss through the learned TI-DeepONet. This approach enables efficient offline optimization of neural policies without the need for online optimization or supervisory controllers. We empirically demonstrate the proposed method across diverse PDE systems, including the heat, the nonlinear Burgers', and the reaction-diffusion equations. The learned policies achieve target tracking, constraint satisfaction, and curvature minimization objectives, while generalizing across distributions of initial conditions and parameters. Moreover, we demonstrate four orders of magnitude acceleration at inference time compared to nonlinear model predictive control benchmarks. These results highlight the promise of operator learning for scalable model-based control of PDEs.

We analyze cumulative parameter trajectories of transformer training under AdamW and identify a dominant low-dimensional drift direction ("backbone") that captures 60--80% of long-horizon displacement from initialization. This direction is highly stable over rolling training windows yet reorients gradually across phases, particularly following objective reweighting. Per-batch gradients exhibit near-noise-floor alignment with the backbone, whereas optimizer-integrated updates align strongly with it, indicating that the structure emerges from accumulated optimizer dynamics rather than instantaneous gradient geometry. Replacing AdamW with SGD-family optimizers eliminates this structure, and reducing β_2 smoothly degrades backbone dominance and reheating recoverability. Reheating experiments show that transverse probe modes can be transiently re-excited without substantially altering accumulated backbone drift. These results provide a trajectory-level characterization of optimizer-induced geometric structure in transformer training and shift attention from instantaneous gradient properties to cumulative update dynamics.

In this paper, a novel Generation-Evaluation framework is developed for multi-turn conversations with the objective of letting both participants know more about each other. For the sake of rational knowledge utilization and coherent conversation flow, a dialogue strategy which controls knowledge selection is instantiated and continuously adapted via reinforcement learning. Under the deployed strategy, knowledge grounded conversations are conducted with two dialogue agents. The generated dialogues are comprehensively evaluated on aspects like informativeness and coherence, which are aligned with our objective and human instinct. These assessments are integrated as a compound reward to guide the evolution of dialogue strategy via policy gradient. Comprehensive experiments have been carried out on the publicly available dataset, demonstrating that the proposed method outperforms the other state-of-the-art approaches significantly.

Deep neural networks are vulnerable to adversarial examples that mislead the models with imperceptible perturbations. Though adversarial attacks have achieved incredible success rates in the white-box setting, most existing adversaries often exhibit weak transferability in the black-box setting, especially under the scenario of attacking models with defense mechanisms. In this work, we propose a new method called variance tuning to enhance the class of iterative gradient based attack methods and improve their attack transferability. Specifically, at each iteration for the gradient calculation, instead of directly using the current gradient for the momentum accumulation, we further consider the gradient variance of the previous iteration to tune the current gradient so as to stabilize the update direction and escape from poor local optima. Empirical results on the standard ImageNet dataset demonstrate that our method could significantly improve the transferability of gradient-based adversarial attacks. Besides, our method could be used to attack ensemble models or be integrated with various input transformations. Incorporating variance tuning with input transformations on iterative gradient-based attacks in the multi-model setting, the integrated method could achieve an average success rate of 90.1% against nine advanced defense methods, improving the current best attack performance significantly by 85.1% . Code is available at https://github.com/JHL-HUST/VT.

Automatic differentiation through digital signal processing algorithms for virtual analogue modelling has recently gained popularity. These algorithms are typically more computationally efficient than black-box neural networks that rely on dense matrix multiplications. Due to their differentiable nature, they can be integrated with neural networks and jointly trained using gradient descent algorithms, resulting in more efficient systems. Furthermore, signal processing algorithms have significantly fewer parameters than neural networks, allowing the application of the Newton-Raphson method. This method offers faster and more robust convergence than gradient descent at the cost of quadratic storage. This paper presents a method to emulate analogue levelling amplifiers using a feed-forward digital compressor with parameters optimised via the Newton-Raphson method. We demonstrate that a digital compressor can successfully approximate the behaviour of our target unit, the Teletronix LA-2A. Different strategies for computing the Hessian matrix are benchmarked. We leverage parallel algorithms for recursive filters to achieve efficient training on modern GPUs. The resulting model is made into a VST plugin and is open-sourced at https://github.com/aim-qmul/4a2a.

Reinforcement learning for coding agents increasingly relies on long-running agent harnesses to manage tool integration, repository contexts, and execution feedback. However, the native execution environments of these harnesses are inherently misaligned with policy-gradient training: environmental crashes and reward hacking corrupt outcome signals, while train-inference discrepancies decouple rollout behavior from policy updates. To address this, we present LEGO-RL, a framework that bridges native coding-agent harnesses with scalable policy-gradient optimization without modifying their internal control flow. LEGO-RL is built upon three pillars: (1) faithful optimization via in-process LLM proxying that captures raw generation streams for token-level alignment and robust trainer-side log-probability recomputation, even under harness-side compaction or re-serialization; (2) reliable execution via scalable sandbox orchestration featuring image caching and stage-wise defenses to mitigate reward hacking; and (3) observable training through an integrated plugin that automates validation and monitoring, paired with a Live UI for granular trajectory diagnostics. We evaluate LEGO-RL by training the sparse MoE model Qwen3.5-35B-A3B with GSPO across three native coding-agent harnesses. LEGO-RL improves Qwen3.5-35B-A3B across OpenHands SDK (64.0% to 70.4%), Claude Code (62.4% to 68.2%), and OpenCode (57.2% to 66.6%) on SWE-bench Verified, while maintaining a rollout-training probability correlation above 0.99.

Decision-focused learning (DFL) is an emerging paradigm that integrates machine learning (ML) and constrained optimization to enhance decision quality by training ML models in an end-to-end system. This approach shows significant potential to revolutionize combinatorial decision-making in real-world applications that operate under uncertainty, where estimating unknown parameters within decision models is a major challenge. This paper presents a comprehensive review of DFL, providing an in-depth analysis of both gradient-based and gradient-free techniques used to combine ML and constrained optimization. It evaluates the strengths and limitations of these techniques and includes an extensive empirical evaluation of eleven methods across seven problems. The survey also offers insights into recent advancements and future research directions in DFL. Code and benchmark: https://github.com/PredOpt/predopt-benchmarks

Spiking neural networks (SNNs) offer a compelling pathway toward energy-efficient artificial intelligence, fundamentally anchored in presynaptic input-driven sparsity. However, a substantial yet chronically overlooked source of computational overhead persists: the continuous subthreshold dynamics of postsynaptic neurons. Quantitative analysis reveals that up to 44% of neurons in an ImageNet-trained ResNet-18 model reside in a deeply inhibited state, imposing a persistent computational burden despite having a negligible probability of firing. To address this inefficiency, the Dormant Spiking Neuron (DSN) model is introduced. By incorporating a state-driven dynamic gate, the DSN allows a neuron to enter a dormant state when its membrane potential falls below a predefined negative threshold, dynamically pruning redundant computations at the instance level. Crucially, this dormancy mechanism is directly integrated into the neuronal dynamics and trained end-to-end via backpropagation through time using surrogate gradients, enabling the network to actively learn a robust dormancy policy that adaptively preserves critical information flow. Extensive experiments across static and neuromorphic datasets demonstrate that the DSN framework consistently reduces computational energy by 40% to over 70%. Notably, on the large-scale ImageNet dataset, the DSN outperforms state-of-the-art static pruning techniques at comparable reported cost reductions and simultaneously improves the corresponding baseline SNN accuracy by 1.34%. By establishing a trainable, state-driven sparsity paradigm orthogonal to conventional input-driven methods, the DSN unlocks synergistic efficiency gains, presenting an effective approach for advancing neuromorphic computing.

Harmonic retrieval techniques are the foundation of radio channel sounding, estimation and modeling. This paper introduces a Deep Learning approach for two-dimensional spectral estimation from frequency and time samples of a radio channel transfer function. Our work can estimate two-dimensional parameters from a signal containing an unknown number of paths. In contrast to existing deep learning-based methods, the signal parameters are not estimated via classification but instead in a quasi-grid-free manner. This alleviates the bias, spectral leakage, and ghost targets that grid-based approaches inherently produce. The proposed architecture also reliably estimates the number of spectral components in the measurement. Hence, the architecture jointly solves the model order selection problem and the parameter estimation task. Additionally, we propose a multi-channel windowing of the data during preprocessing, increasing the resulting estimator's robustness. We verify the performance compared to existing harmonic retrieval methods and also show how it can be integrated into an existing maximum likelihood estimator for efficient initialization of a gradient-based iteration.

Traffic prediction is essential for the progression of Intelligent Transportation Systems (ITS) and the vision of smart cities. While Spatial-Temporal Graph Neural Networks (STGNNs) have shown promise in this domain by leveraging Graph Neural Networks (GNNs) integrated with either RNNs or Transformers, they present challenges such as computational complexity, gradient issues, and resource-intensiveness. This paper addresses these challenges, advocating for three main solutions: a node-embedding approach, time series decomposition, and periodicity learning. We introduce STLinear, a minimalist model architecture designed for optimized efficiency and performance. Unlike traditional STGNNs, STlinear operates fully locally, avoiding inter-node data exchanges, and relies exclusively on linear layers, drastically cutting computational demands. Our empirical studies on real-world datasets confirm STLinear's prowess, matching or exceeding the accuracy of leading STGNNs, but with significantly reduced complexity and computation overhead (more than 95% reduction in MACs per epoch compared to state-of-the-art STGNN baseline published in 2023). In summary, STLinear emerges as a potent, efficient alternative to conventional STGNNs, with profound implications for the future of ITS and smart city initiatives.

Large language models (LLMs) achieve remarkable performance in natural language understanding but require substantial computation and memory resources. Post-training quantization (PTQ) is a powerful compression technique extensively investigated in LLMs. However, existing PTQ methods are still not ideal in terms of accuracy and efficiency, especially with below 4 bit-widths. Standard PTQ methods using group-wise quantization suffer difficulties in quantizing LLMs accurately to such low-bit, but advanced methods remaining high-precision weights element-wisely are hard to realize their theoretical hardware efficiency. This paper presents a Salience-Driven Mixed-Precision Quantization scheme for LLMs, namely SliM-LLM. The scheme exploits the salience distribution of weights to determine optimal bit-width and quantizers for accurate LLM quantization, while aligning bit-width partition to groups for compact memory usage and fast integer inference. Specifically, the proposed SliM-LLM mainly relies on two novel techniques: (1) Salience-Determined Bit Allocation utilizes the clustering characteristics of salience distribution to allocate the bit-widths of each group, increasing the accuracy of quantized LLMs and maintaining the inference efficiency; (2) Salience-Weighted Quantizer Calibration optimizes the parameters of the quantizer by considering the element-wise salience within the group, balancing the maintenance of salient information and minimization of errors. Comprehensive experiments show that SliM-LLM significantly improves the accuracy of LLMs at ultra-low bits, e.g., 2-bit LLaMA-7B achieves a 5.5-times memory-saving than original model on NVIDIA A800 GPUs, and 48% decrease of perplexity compared to the state-of-the-art gradient-free PTQ method. Moreover, SliM-LLM+, which is integrated from the extension of SliM-LLM with gradient-based quantizers, further reduces perplexity by 35.1%.

Large Multimodal Models (LMMs) often rely on in-context learning (ICL) to perform new tasks with minimal supervision. However, ICL performance, especially in smaller LMMs, is inconsistent and does not always improve monotonically with increasing examples. We hypothesize that this occurs due to the LMM being overwhelmed by additional information present in the image embeddings, which is not required for the downstream task. To address this, we propose a meta-learning approach that provides an alternative for inducing few-shot capabilities in LMMs, using a fixed set of soft prompts that are distilled from task-relevant image features and can be adapted at test time using a few examples. To facilitate this distillation, we introduce an attention-mapper module that can be easily integrated with the popular LLaVA v1.5 architecture and is jointly learned with soft prompts, enabling task adaptation in LMMs under low-data regimes with just a few gradient steps. Evaluation on the VL-ICL Bench shows that our method consistently outperforms ICL and related prompt-tuning approaches, even under image perturbations, improving task induction and reasoning across visual question answering tasks.

Probabilistic models are typically trained using task-agnostic objectives like log-loss, which can lead to significant errors in downstream estimation. This disconnect is especially critical in Inverse Probability Weighting (IPW) for causal inference, where propensity score errors near 0 and 1 often lead to high bias and variance. We propose a principled framework for deriving task-specific strictly proper scoring rules by matching the local curvature of the downstream error metric. We apply this to the Average Treatment Effect (ATE) estimation, deriving a closed-form loss and its corresponding canonical probability mapping that can be readily integrated with any model like a neural network or a gradient boosting algorithm. Extensive evaluations on causal inference benchmarks demonstrate that our tailored objective consistently outperforms standard likelihood-based and covariate-balancing approaches.

Image Quality Assessment (IQA) in open-world environments remains challenging due to limited generalization and interpretability. Recent approaches based on multimodal large language models (MLLMs) introduce textual reasoning for quality prediction, yet their judgments rely heavily on semantically biased internal representations, making them insensitive to low-level perceptual degradations. We propose IQA-T1, a tool-based visual evidence reasoning framework that augments MLLM reasoning with explicit perceptual observations. During inference, the model autonomously invokes specialized analysis tools to generate structured visual evidence, such as noise residual maps, gradient statistics, and frequency spectra, which are progressively integrated into the reasoning process. To support this paradigm, we construct Q-Tool, a dataset containing 11k multimodal reasoning chains grounded in tool-generated evidence. Extensive experiments on seven IQA benchmarks show that IQA-T1 achieves the best overall performance across datasets while producing interpretable and evidence-grounded quality assessments. Code and dataset are available at https://github.com/zibuyu-02/IQA-T1.

Weight sharing is a fundamental concept in neural architecture search (NAS), enabling gradient-based methods to explore cell-based architecture spaces significantly faster than traditional blackbox approaches. In parallel, weight entanglement has emerged as a technique for intricate parameter sharing among architectures within macro-level search spaces. %However, the macro structure of such spaces poses compatibility challenges for gradient-based NAS methods. %As a result, blackbox optimization methods have been commonly employed, particularly in conjunction with supernet training, to maintain search efficiency. %Due to the inherent differences in the structure of these search spaces, these Since weight-entanglement poses compatibility challenges for gradient-based NAS methods, these two paradigms have largely developed independently in parallel sub-communities. This paper aims to bridge the gap between these sub-communities by proposing a novel scheme to adapt gradient-based methods for weight-entangled spaces. This enables us to conduct an in-depth comparative assessment and analysis of the performance of gradient-based NAS in weight-entangled search spaces. Our findings reveal that this integration of weight-entanglement and gradient-based NAS brings forth the various benefits of gradient-based methods (enhanced performance, improved supernet training properties and superior any-time performance), while preserving the memory efficiency of weight-entangled spaces. The code for our work is openly accessible https://anonymous.4open.science/r/TangleNAS-527C{here}

Learning-based methods have gained attention as general-purpose solvers due to their ability to automatically learn problem-specific heuristics, reducing the need for manually crafted heuristics. However, these methods often face scalability challenges. To address these issues, the improved Sampling algorithm for Combinatorial Optimization (iSCO), using discrete Langevin dynamics, has been proposed, demonstrating better performance than several learning-based solvers. This study proposes a different approach that integrates gradient-based update through continuous relaxation, combined with Quasi-Quantum Annealing (QQA). QQA smoothly transitions the objective function, starting from a simple convex function, minimized at half-integral values, to the original objective function, where the relaxed variables are minimized only in the discrete space. Furthermore, we incorporate parallel run communication leveraging GPUs to enhance exploration capabilities and accelerate convergence. Numerical experiments demonstrate that our method is a competitive general-purpose solver, achieving performance comparable to iSCO and learning-based solvers across various benchmark problems. Notably, our method exhibits superior speed-quality trade-offs for large-scale instances compared to iSCO, learning-based solvers, commercial solvers, and specialized algorithms.

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.

The integration of discrete algorithmic components in deep learning architectures has numerous applications. Recently, Implicit Maximum Likelihood Estimation (IMLE, Niepert, Minervini, and Franceschi 2021), a class of gradient estimators for discrete exponential family distributions, was proposed by combining implicit differentiation through perturbation with the path-wise gradient estimator. However, due to the finite difference approximation of the gradients, it is especially sensitive to the choice of the finite difference step size, which needs to be specified by the user. In this work, we present Adaptive IMLE (AIMLE), the first adaptive gradient estimator for complex discrete distributions: it adaptively identifies the target distribution for IMLE by trading off the density of gradient information with the degree of bias in the gradient estimates. We empirically evaluate our estimator on synthetic examples, as well as on Learning to Explain, Discrete Variational Auto-Encoders, and Neural Relational Inference tasks. In our experiments, we show that our adaptive gradient estimator can produce faithful estimates while requiring orders of magnitude fewer samples than other gradient estimators.

The rapid advancements in Large Language Models (LLMs) have revolutionized various natural language processing tasks. However, the substantial size of LLMs presents significant challenges in training or fine-tuning. While parameter-efficient approaches such as low-rank adaptation (LoRA) have gained popularity, they often compromise performance compared to full-rank fine-tuning. In this paper, we propose Outlier-weighed Layerwise Sampled Low-Rank Projection (OwLore), a new memory-efficient fine-tuning approach, inspired by the layerwise outlier distribution of LLMs, which dynamically samples pre-trained layers to fine-tune instead of adding additional adaptors. We first interpret the outlier phenomenon through the lens of Heavy-Tailed Self-Regularization theory (HT-SR), discovering that layers with more outliers tend to be more heavy-tailed and consequently better trained. Inspired by this finding, OwLore strategically assigns higher sampling probabilities to layers with more outliers to better leverage the knowledge stored in pre-trained LLMs. To further mitigate the memory demands of fine-tuning, we integrate gradient low-rank projection into our approach, which facilitates each layer to be efficiently trained in a low-rank manner. By incorporating the efficient characteristics of low-rank and optimal layerwise sampling, OwLore significantly improves the memory-performance trade-off in LLM pruning. Our extensive experiments across various architectures, including LLaMa2, LLaMa3, and Mistral, demonstrate that OwLore consistently outperforms baseline approaches, including full fine-tuning. Specifically, it achieves up to a 1.1% average accuracy gain on the Commonsense Reasoning benchmark, a 3.0% improvement on MMLU, and a notable 10% boost on MT-Bench, while being more memory efficient. OwLore allows us to fine-tune LLaMa2-7B with only 21GB of memory.

Large Language Models (LLMs) have transformed natural language processing by learning from massive datasets, yet this rapid progress has also drawn legal scrutiny, as the ability to unintentionally generate copyrighted content has already prompted several prominent lawsuits. In this work, we introduce SUV (Selective Unlearning for Verbatim data), a selective unlearning framework designed to prevent LLM from memorizing copyrighted content while preserving its overall utility. In detail, the proposed method constructs a dataset that captures instances of copyrighted infringement cases by the targeted LLM. With the dataset, we unlearn the content from the LLM by means of Direct Preference Optimization (DPO), which replaces the verbatim copyrighted content with plausible and coherent alternatives. Since DPO may hinder the LLM's performance in other unrelated tasks, we integrate gradient projection and Fisher information regularization to mitigate the degradation. We validate our approach using a large-scale dataset of 500 famous books (predominantly copyrighted works) and demonstrate that SUV significantly reduces verbatim memorization with negligible impact on the performance on unrelated tasks. Extensive experiments on both our dataset and public benchmarks confirm the scalability and efficacy of our approach, offering a promising solution for mitigating copyright risks in real-world LLM applications.

Post-training quantization is a key technique for reducing the memory and inference latency of large language models by quantizing weights and activations without requiring retraining. However, existing methods either (1) fail to account for the varying importance of hidden features to the end loss or, when incorporating end loss, (2) neglect the critical interactions between model weights. To address these limitations, we propose GuidedQuant, a novel quantization approach that integrates gradient information from the end loss into the quantization objective while preserving cross-weight dependencies within output channels. GuidedQuant consistently boosts the performance of state-of-the-art quantization methods across weight-only scalar, weight-only vector, and weight-and-activation quantization. Additionally, we introduce a novel non-uniform scalar quantization algorithm, which is guaranteed to monotonically decrease the quantization objective value, and outperforms existing methods in this category. We release the code at https://github.com/snu-mllab/GuidedQuant.

Deep neural networks with repeated architectural blocks, such as transformers, often exhibit structured relationships across layers that emerge during training. Motivated by this observation, we introduce Depth-wise Gradient Augmentation, a general optimization paradigm in which the update applied to each layer is obtained by transforming the collection of block-wise optimizer updates along the depth dimension. Within this framework, we study Gradient Smoothing, a family of depth-wise smoothing methods, and instantiate it with a simple local Window Smoothing operator. The resulting method operates directly on block-wise updates produced by arbitrary base optimizers (e.g., SGD, Adam, Muon), incurs minimal computational overhead, and is compatible with existing optimization pipelines. We evaluate Gradient Smoothing across a diverse set of architectures and training regimes, including language model pretraining, RL post-training of LLMs for reasoning, diffusion modeling, and image classification with Vision Transformers. Across these settings, Gradient Smoothing consistently improves optimization and generalization performance without modifying model architectures or training objectives. We further show that it promotes more structured representation evolution across depth, consistent with its interpretation as a structured depth-wise preconditioning method. Together, these results establish Depth-wise Gradient Augmentation as a promising framework for exploiting cross-depth structure in optimization and demonstrate Gradient Smoothing as a simple and broadly applicable instantiation.

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.

Implicit Neural Representations (INRs), as a versatile representation paradigm, have achieved success in various computer vision tasks. Due to the spectral bias of the vanilla multi-layer perceptrons (MLPs), existing methods focus on designing MLPs with sophisticated architectures or repurposing training techniques for highly accurate INRs. In this paper, we delve into the linear dynamics model of MLPs and theoretically identify the empirical Neural Tangent Kernel (eNTK) matrix as a reliable link between spectral bias and training dynamics. Based on this insight, we propose a practical Inductive Gradient Adjustment (IGA) method, which could purposefully improve the spectral bias via inductive generalization of eNTK-based gradient transformation matrix. Theoretical and empirical analyses validate impacts of IGA on spectral bias. Further, we evaluate our method on different INRs tasks with various INR architectures and compare to existing training techniques. The superior and consistent improvements clearly validate the advantage of our IGA. Armed with our gradient adjustment method, better INRs with more enhanced texture details and sharpened edges can be learned from data by tailored impacts on spectral bias.

In-context learning (ICL) has shown impressive results in few-shot learning tasks, yet its underlying mechanism is still not fully understood. A recent line of work suggests that ICL performs gradient descent (GD)-based optimization implicitly. While appealing, much of the research focuses on simplified settings, where the parameters of a shallow model are optimized. In this work, we revisit evidence for ICL-GD correspondence on realistic NLP tasks and models. We find gaps in evaluation, both in terms of problematic metrics and insufficient baselines. We show that surprisingly, even untrained models achieve comparable ICL-GD similarity scores despite not exhibiting ICL. Next, we explore a major discrepancy in the flow of information throughout the model between ICL and GD, which we term Layer Causality. We propose a simple GD-based optimization procedure that respects layer causality, and show it improves similarity scores significantly.

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.

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

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.

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.

In this empirical article, we introduce INNAprop, an optimization algorithm that combines the INNA method with the RMSprop adaptive gradient scaling. It leverages second-order information and rescaling while keeping the memory requirements of standard DL methods as AdamW or SGD with momentum.After having recalled our geometrical motivations, we provide quite extensive experiments. On image classification (CIFAR-10, ImageNet) and language modeling (GPT-2), INNAprop consistently matches or outperforms AdamW both in training speed and accuracy, with minimal hyperparameter tuning in large-scale settings. Our code is publicly available at https://github.com/innaprop/innaprop.

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

An open question in the Deep Learning community is why neural networks trained with Gradient Descent generalize well on real datasets even though they are capable of fitting random data. We propose an approach to answering this question based on a hypothesis about the dynamics of gradient descent that we call Coherent Gradients: Gradients from similar examples are similar and so the overall gradient is stronger in certain directions where these reinforce each other. Thus changes to the network parameters during training are biased towards those that (locally) simultaneously benefit many examples when such similarity exists. We support this hypothesis with heuristic arguments and perturbative experiments and outline how this can explain several common empirical observations about Deep Learning. Furthermore, our analysis is not just descriptive, but prescriptive. It suggests a natural modification to gradient descent that can greatly reduce overfitting.

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

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

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.

In multi-task learning (MTL), gradient conflict poses a significant challenge. Effective methods for addressing this problem, including PCGrad, CAGrad, and GradNorm, in their original implementations are computationally demanding, which significantly limits their application in modern large models and transformers. We propose Gradient Conductor (GCond), a method that builds upon PCGrad principles by combining them with gradient accumulation and an adaptive arbitration mechanism. We evaluated GCond on self-supervised learning tasks using MobileNetV3-Small and ConvNeXt architectures on the ImageNet 1K dataset and a combined head and neck CT scan dataset, comparing the proposed method against baseline linear combinations and state-of-the-art gradient conflict resolution methods. The stochastic mode of GCond achieved a two-fold computational speedup while maintaining optimization quality, and demonstrated superior performance across all evaluated metrics, achieving lower L1 and SSIM losses compared to other methods on both datasets. GCond exhibited high scalability, being successfully applied to both compact models (MobileNetV3-Small) and large architectures (ConvNeXt-tiny and ConvNeXt-Base). It also showed compatibility with modern optimizers such as AdamW and Lion/LARS. Therefore, GCond offers a scalable and efficient solution to the problem of gradient conflicts in multi-task learning.

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

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.

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

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

While deep learning and deep reinforcement learning (RL) systems have demonstrated impressive results in domains such as image classification, game playing, and robotic control, data efficiency remains a major challenge. Multi-task learning has emerged as a promising approach for sharing structure across multiple tasks to enable more efficient learning. However, the multi-task setting presents a number of optimization challenges, making it difficult to realize large efficiency gains compared to learning tasks independently. The reasons why multi-task learning is so challenging compared to single-task learning are not fully understood. In this work, we identify a set of three conditions of the multi-task optimization landscape that cause detrimental gradient interference, and develop a simple yet general approach for avoiding such interference between task gradients. We propose a form of gradient surgery that projects a task's gradient onto the normal plane of the gradient of any other task that has a conflicting gradient. On a series of challenging multi-task supervised and multi-task RL problems, this approach leads to substantial gains in efficiency and performance. Further, it is model-agnostic and can be combined with previously-proposed multi-task architectures for enhanced performance.

We introduce a general method for improving the convergence rate of gradient-based optimizers that is easy to implement and works well in practice. We demonstrate the effectiveness of the method in a range of optimization problems by applying it to stochastic gradient descent, stochastic gradient descent with Nesterov momentum, and Adam, showing that it significantly reduces the need for the manual tuning of the initial learning rate for these commonly used algorithms. Our method works by dynamically updating the learning rate during optimization using the gradient with respect to the learning rate of the update rule itself. Computing this "hypergradient" needs little additional computation, requires only one extra copy of the original gradient to be stored in memory, and relies upon nothing more than what is provided by reverse-mode automatic differentiation.

We develop a general mathematical framework to analyze scaling regimes and derive explicit analytic solutions for gradient flow (GF) in large learning problems. Our key innovation is a formal power series expansion of the loss evolution, with coefficients encoded by diagrams akin to Feynman diagrams. We show that this expansion has a well-defined large-size limit that can be used to reveal different learning phases and, in some cases, to obtain explicit solutions of the nonlinear GF. We focus on learning Canonical Polyadic (CP) decompositions of high-order tensors, and show that this model has several distinct extreme lazy and rich GF regimes such as free evolution, NTK and under- and over-parameterized mean-field. We show that these regimes depend on the parameter scaling, tensor order, and symmetry of the model in a specific and subtle way. Moreover, we propose a general approach to summing the formal loss expansion by reducing it to a PDE; in a wide range of scenarios, it turns out to be first-order and solvable by the method of characteristics. We observe a very good agreement of our theoretical predictions with experimental results.

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

This work presents In-Context Policy Iteration, an algorithm for performing Reinforcement Learning (RL), in-context, using foundation models. While the application of foundation models to RL has received considerable attention, most approaches rely on either (1) the curation of expert demonstrations (either through manual design or task-specific pretraining) or (2) adaptation to the task of interest using gradient methods (either fine-tuning or training of adapter layers). Both of these techniques have drawbacks. Collecting demonstrations is labor-intensive, and algorithms that rely on them do not outperform the experts from which the demonstrations were derived. All gradient techniques are inherently slow, sacrificing the "few-shot" quality that made in-context learning attractive to begin with. In this work, we present an algorithm, ICPI, that learns to perform RL tasks without expert demonstrations or gradients. Instead we present a policy-iteration method in which the prompt content is the entire locus of learning. ICPI iteratively updates the contents of the prompt from which it derives its policy through trial-and-error interaction with an RL environment. In order to eliminate the role of in-weights learning (on which approaches like Decision Transformer rely heavily), we demonstrate our algorithm using Codex, a language model with no prior knowledge of the domains on which we evaluate it.

Neural networks increasingly embed non-differentiable components (spiking neurons, quantized layers, discrete routing, blackbox simulators, etc.) where backpropagation is inapplicable and surrogate gradients introduce bias. We present PolyStep, a gradient-free optimizer that updates parameters using only forward passes. Each step evaluates the loss at structured polytope vertices in a compressed subspace, computes softmax-weighted assignments over the resulting cost matrix, and displaces particles toward low-cost vertices via barycentric projection. This update corresponds to the one-sided limit of a regularized optimal-transport problem, inheriting its geometric structure without Sinkhorn iterations. PolyStep trains genuinely non-differentiable models where existing gradient-free methods collapse to near-random accuracy. On hard-LIF spiking networks we reach 93.4% test accuracy, outperforming all gradient-free baselines by over 60~pp and closing to within 4.4~pp of a surrogate-gradient Adam ceiling. Across four additional non-differentiable architectures (int8 quantization, argmax attention, staircase activations, hard MoE routing) we lead every gradient-free competitor. On MAX-SAT scaling from 100 to 1M variables, we sustain above 92% clause satisfaction while evolution strategies drop 8--12~pp. On RL policy search, we match OpenAI-ES on classical control and retain performance under integer and binary quantization that collapses gradient-based methods. We prove convergence to conservative-stationary points at rate O(log T/T) on piecewise-smooth losses, upgraded to Clarke-stationary on the headline architectures and extended to the piecewise-constant regime via a hitting-time bound. These rates match the known zeroth-order query-complexity lower bounds that all forward-only methods inherit. Code is available at https://github.com/anindex/polystep.

Researches have demonstrated that low bit-width (e.g., INT8) quantization can be employed to accelerate the inference process. It makes the gradient quantization very promising since the backward propagation requires approximately twice more computation than forward one. Due to the variability and uncertainty of gradient distribution, a lot of methods have been proposed to attain training stability. However, most of them ignore the channel-wise gradient distributions and the impact of gradients with different magnitudes, resulting in the degradation of final accuracy. In this paper, we propose a novel INT8 quantization training framework for convolutional neural network to address the above issues. Specifically, we adopt Gradient Vectorized Quantization to quantize the gradient, based on the observation that layer-wise gradients contain multiple distributions along the channel dimension. Then, Magnitude-aware Clipping Strategy is introduced by taking the magnitudes of gradients into consideration when minimizing the quantization error, and we present a theoretical derivation to solve the quantization parameters of different distributions. Experimental results on broad range of computer vision tasks, such as image classification, object detection and video classification, demonstrate that the proposed Distribution Adaptive INT8 Quantization training method has achieved almost lossless training accuracy for different backbones, including ResNet, MobileNetV2, InceptionV3, VGG and AlexNet, which is superior to the state-of-the-art techniques. Moreover, we further implement the INT8 kernel that can accelerate the training iteration more than 200% under the latest Turing architecture, i.e., our method excels on both training accuracy and speed.

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

Model merging combines several independently fine-tuned experts into a single multi-task model without any training data, reducing the storage, serving, and decentralized-development costs of large foundation models. State-of-the-art merging methods formulate merging as a layer-wise quadratic interference minimization problem. Although this problem admits an exact closed-form pseudoinverse solution, that solution underperforms hundreds of iterations of gradient descent in practice. The iterative loop dominates the cost of the pipeline, yet its effectiveness has remained unexplained. We revisit this regime and show that the iterative solver does not primarily act as an optimizer; rather, it serves as an implicit spectral regularizer for an ill-posed normal equation, where small-eigenvalue directions of the per-layer interference operator amplify proxy noise. Building on this finding, we formalize multi-task model merging as a noisy linear inverse problem and propose a spectral filtering estimator parameterized by a per-direction filter. We instantiate this estimator with SWUDI, a closed-form method that combines a soft exponential filter, which matches the gradient-flow trajectory of iterative descent, with a hard top-K truncation that suppresses noise-amplifying small-eigenvalue directions. Furthermore, we propose SWUDI-A, an adaptive variant that replaces the global rank hyperparameter with per-layer rank rules, further improving robustness across architectures. Both variants share a single symmetric eigendecomposition per linear layer and require no training data or optimizer state. Across four general benchmarks and a multimodal merging benchmark spanning VQA, Geometry, Chart, OCR, Grounding, and modality merging, our proposed spectral solvers match or outperform state-of-the-art merging methods. Crucially, they reduce wall-clock time by 28-72x and peak GPU memory by up to 50%.

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

The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties during model training and effectively act as domain-specific regularizers of the empirical risk loss. Physics-informed neural networks is an example of this philosophy in which the outputs of deep neural networks are constrained to approximately satisfy a given set of partial differential equations. In this work we review recent advances in scientific machine learning with a specific focus on the effectiveness of physics-informed neural networks in predicting outcomes of physical systems and discovering hidden physics from noisy data. We will also identify and analyze a fundamental mode of failure of such approaches that is related to numerical stiffness leading to unbalanced back-propagated gradients during model training. To address this limitation we present a learning rate annealing algorithm that utilizes gradient statistics during model training to balance the interplay between different terms in composite loss functions. We also propose a novel neural network architecture that is more resilient to such gradient pathologies. Taken together, our developments provide new insights into the training of constrained neural networks and consistently improve the predictive accuracy of physics-informed neural networks by a factor of 50-100x across a range of problems in computational physics. All code and data accompanying this manuscript are publicly available at https://github.com/PredictiveIntelligenceLab/GradientPathologiesPINNs.