OpenRaiser/Intern-Atlas huggingface dataset:
Recommendations with Sparse Comparison Data: Provably Fast Convergence for Nonconvex Matrix Factorization
Venue: Conference ICML 2025
Year: 2025

This paper provides a theoretical analysis of a new learning problem for recommender systems where users provide feedback by comparing pairs of items instead of rating them individually. We assume that comparisons stem from latent user and item features, which reduces the task of predicting preferences to learning these features from comparison data. Similar to the classical matrix factorization problem, the main challenge in this learning task is that the resulting loss function is nonconvex. Our analysis shows that the loss function exhibits (restricted) strong convexity near the true solution, which ensures gradient-based methods converge exponentially, given an appropriate warm start. Importantly, this result holds in a sparse data regime, where each user compares only a few pairs of items. Our main technical contribution is to extend certain concentration inequalities commonly used in matrix completion to our model. Our work demonstrates that learning personalized recommendations from comparison data is computationally and statistically efficient.
Collapse-Proof Non-Contrastive Self-Supervised Learning
Venue: Conference ICML 2025
Year: 2025

We present a principled and simplified design of the projector and loss function for non-contrastive self-supervised learning based on hyperdimensional computing. We theoretically demonstrate that this design introduces an inductive bias that encourages representations to be simultaneously decorrelated and clustered, without explicitly enforcing these properties. This bias provably enhances generalization and suffices to avoid known training failure modes, such as representation, dimensional, cluster, and intracluster collapses. We validate our theoretical findings on image datasets, including SVHN, CIFAR-10, CIFAR-100, and ImageNet-100. Our approach effectively combines the strengths of feature decorrelation and cluster-based self-supervised learning methods, overcoming training failure modes while achieving strong generalization in clustering and linear classification tasks.
SK-VQA: Synthetic Knowledge Generation at Scale for Training Context-Augmented Multimodal LLMs
Venue: Conference ICML 2025
Year: 2025

Multimodal retrieval augmented generation (RAG) plays a crucial role in domains such as knowledge-based visual question answering (KB-VQA), where external knowledge is needed to answer a question. However, existing multimodal LLMs (MLLMs) are not designed for context-augmented generation, limiting their effectiveness in such tasks. While synthetic data generation has recently gained attention for training MLLMs, its application for context-augmented generation remains underexplored. To address this gap, we introduce SK-VQA, a large-scale synthetic multimodal dataset containing over 2 million visual question-answer pairs, each associated with context documents containing information necessary to determine the final answer. Compared to previous datasets, SK-VQA contains 11x more unique questions, exhibits greater domain diversity, and covers a broader spectrum of image sources. Through human evaluations, we confirm the high quality of the generated question-answer pairs and their contextual relevance. Extensive experiments show that SK-VQA serves both as a challenging KB-VQA benchmark and as an effective training resource for adapting MLLMs to context-augmented generation. Our results further indicate that models trained on SK-VQA demonstrate enhanced generalization in both context-aware VQA and multimodal RAG settings. SK-VQA is publicly available via Hugging Face Hub.
Provable Maximum Entropy Manifold Exploration via Diffusion Models
Venue: Conference ICML 2025
Year: 2025

Exploration is critical for solving real-world decision-making problems such as scientific discovery, where the objective is to generate truly novel designs rather than mimic existing data distributions. In this work, we address the challenge of leveraging the representational power of generative models for exploration without relying on explicit uncertainty quantification. We introduce a novel framework that casts exploration as entropy maximization over the approximate data manifold implicitly defined by a pre-trained diffusion model. Then, we present a novel principle for exploration based on density estimation, a problem well-known to be challenging in practice. To overcome this issue and render this method truly scalable, we leverage a fundamental connection between the entropy of the density induced by a diffusion model and its score function. Building on this, we develop an algorithm based on mirror descent that solves the exploration problem as sequential fine-tuning of a pre-trained diffusion model. We prove its convergence to the optimal exploratory diffusion model under realistic assumptions by leveraging recent understanding of mirror flows. Finally, we empirically evaluate our approach on both synthetic and high-dimensional text-to-image diffusion, demonstrating promising results.
The Number of Trials Matters in Infinite-Horizon General-Utility Markov Decision Processes
Venue: Conference ICML 2025
Year: 2025

The general-utility Markov decision processes (GUMDPs) framework generalizes the MDPs framework by considering objective functions that depend on the frequency of visitation of state-action pairs induced by a given policy. In this work, we contribute with the first analysis on the impact of the number of trials, i.e., the number of randomly sampled trajectories, in infinite-horizon GUMDPs. We show that, as opposed to standard MDPs, the number of trials plays a key-role in infinite-horizon GUMDPs and the expected performance of a given policy depends, in general, on the number of trials. We consider both discounted and average GUMDPs, where the objective function depends, respectively, on discounted and average frequencies of visitation of state-action pairs. First, we study policy evaluation under discounted GUMDPs, proving lower and upper bounds on the mismatch between the finite and infinite trials formulations for GUMDPs. Second, we address average GUMDPs, studying how different classes of GUMDPs impact the mismatch between the finite and infinite trials formulations. Third, we provide a set of empirical results to support our claims, highlighting how the number of trajectories and the structure of the underlying GUMDP influence policy evaluation.
Upweighting Easy Samples in Fine-Tuning Mitigates Forgetting
Venue: Conference ICML 2025
Year: 2025

Fine-tuning a pre-trained model on a downstream task often degrades its original capabilities, a phenomenon known as "catastrophic forgetting". This is especially an issue when one does not have access to the data and recipe used to develop the pre-trained model. Under this constraint, most existing methods for mitigating forgetting are inapplicable. To address this challenge, we propose a sample weighting scheme for the fine-tuning data solely based on the pre-trained model's losses. Specifically, we upweight the easy samples on which the pre-trained model's loss is low and vice versa to limit the drift from the pre-trained model. Our approach is orthogonal and yet complementary to existing methods; while such methods mostly operate on parameter or gradient space, we concentrate on the sample space. We theoretically analyze the impact of fine-tuning with our method in a linear setting, showing that it stalls learning in a certain subspace which inhibits overfitting to the target task. We empirically demonstrate the efficacy of our method on both language and vision tasks. As an example, when fine-tuning Gemma 2 2B on MetaMathQA, our method results in only a $0.8\%$ drop in accuracy on GSM8K (another math dataset) compared to standard fine-tuning, while preserving $5.4\%$ more accuracy on the pre-training datasets. Our code is publicly available at https://github.com/sanyalsunny111/FLOW_finetuning .
The underlying structures of self-attention: symmetry, directionality, and emergent dynamics in Transformer training
Venue: Conference ICML 2025
Year: 2025

Self-attention is essential to Transformer architectures, yet how information is embedded in the self-attention matrices and how different objective functions impact this process remains unclear. We present a mathematical framework to analyze self-attention matrices by deriving the structures governing their weight updates. Using this framework, we demonstrate that bidirectional training induces symmetry in the weight matrices, while autoregressive training results in directionality and column dominance. Our theoretical findings are validated across multiple Transformer models - including ModernBERT, GPT, LLaMA3, and Mistral - and input modalities like text, vision, and audio. Finally, we apply these insights by showing that symmetric initialization improves the performance of encoder-only models on language tasks. This mathematical analysis offers a novel theoretical perspective on how information is embedded through self-attention, thereby improving the interpretability of Transformer models.
Advancing Constrained Monotonic Neural Networks: Achieving Universal Approximation Beyond Bounded Activations
Venue: Conference ICML 2025
Year: 2025

Conventional techniques for imposing monotonicity in MLPs by construction involve the use of non-negative weight constraints and bounded activation functions, which pose well-known optimization challenges. In this work, we generalize previous theoretical results, showing that MLPs with non-negative weight constraint and activations that saturate on alternating sides are universal approximators for monotonic functions. Additionally, we show an equivalence between the saturation side in the activations and the sign of the weight constraint. This connection allows us to prove that MLPs with convex monotone activations and non-positive constrained weights also qualify as universal approximators, in contrast to their non-negative constrained counterparts. Our results provide theoretical grounding to the empirical effectiveness observed in previous works while leading to possible architectural simplification. Moreover, to further alleviate the optimization difficulties, we propose an alternative formulation that allows the network to adjust its activations according to the sign of the weights. This eliminates the requirement for weight reparameterization, easing initialization and improving training stability. Experimental evaluation reinforces the validity of the theoretical results, showing that our novel approach compares favourably to traditional monotonic architectures.
WeGeFT: Weight‑Generative Fine-Tuning for Multi-Faceted Efficient Adaptation of Large Models
Venue: Conference ICML 2025
Year: 2025

Fine-tuning large pretrained Transformer models can focus on either introducing a small number of new learnable parameters (parameter efficiency) or editing representations of a small number of tokens using lightweight modules (representation efficiency). While the pioneering method LoRA (Low-Rank Adaptation) inherently balances parameter, compute, and memory efficiency, many subsequent variants trade off compute and memory efficiency and/or performance to further reduce fine-tuning parameters. To address this limitation and unify parameter-efficient and representation-efficient fine-tuning, we propose Weight-Generative Fine-Tuning (WeGeFT, pronounced wee-gift), a novel approach that learns to generate fine-tuning weights directly from the pretrained weights. WeGeFT employs a simple low-rank formulation consisting of two linear layers, either shared across multiple layers of the pretrained model or individually learned for different layers. This design achieves multi-faceted efficiency in parameters, representations, compute, and memory, while maintaining or exceeding the performance of LoRA and its variants. Extensive experiments on commonsense reasoning, arithmetic reasoning, instruction following, code generation, and visual recognition verify the effectiveness of our proposed WeGeFT. Our code is available at https://github.com/savadikarc/wegeft
NestQuant: nested lattice quantization for matrix products and LLMs
Venue: Conference ICML 2025
Year: 2025

Post-training quantization (PTQ) has emerged as a critical technique for efficient deployment of large language models (LLMs). This work proposes NestQuant, a novel PTQ scheme for weights and activations that is based on self-similar nested lattices. Recent works have mathematically shown such quantizers to be information-theoretically optimal for low-precision matrix multiplication. We implement a practical low-complexity version of NestQuant based on Gosset lattice, making it a drop-in quantizer for any matrix multiplication step (e.g., in self-attention, MLP etc). For example, NestQuant quantizes weights, KV-cache, and activations of Llama-3-8B to 4 bits, achieving perplexity of 6.6 on wikitext2. This represents more than 55% reduction in perplexity gap with respect to unquantized model (perplexity of 6.14) compared to state-of-the-art Metas SpinQuant (perplexity 7.3), OstQuant (7.3) and QuaRot (8.2). Comparisons on bigger models (up to 70B) and on various LLM evaluation benchmarks confirm uniform superiority of NestQuant.
Making Hard Problems Easier with Custom Data Distributions and Loss Regularization: A Case Study in Modular Arithmetic
Venue: Conference ICML 2025
Year: 2025

Recent work showed that ML-based attacks on Learning with Errors (LWE), a hard problem used in post-quantum cryptography, outperform classical algebraic attacks in certain settings. Although promising, ML attacks struggle to scale to more complex LWE settings. Prior work connected this issue to the difficulty of training ML models to do modular arithmetic, a core feature of the LWE problem. To address this, we develop techniques that significantly boost the performance of ML models on modular arithmetic tasks, enabling the models to sum up to $N=128$ elements modulo $q \le 974269$. Our core innovation is the use of custom training data distributions and a carefully designed loss function that better represents the problem structure. We apply an initial proof of concept of our techniques to LWE specifically and find that they allow recovery of 2x harder secrets than prior work. Our techniques also help ML models learn other well-studied problems better, including copy, associative recall, and parity, motivating further study.
ResQ: Mixed-Precision Quantization of Large Language Models with Low-Rank Residuals
Venue: Conference ICML 2025
Year: 2025

Post-training quantization (PTQ) of large language models (LLMs) holds the promise in reducing the prohibitive computational cost at inference time. Quantization of all weight, activation and key-value (KV) cache tensors to 4-bit without significantly degrading generalizability is challenging, due to the high quantization error caused by extreme outliers in activations. To tackle this problem, we propose ResQ, a PTQ method that pushes further the state-of-the-art. By means of principal component analysis (PCA), it identifies a low-rank subspace (in practice 1/8 of the hidden dimension) in which activation variances are highest, and keep the coefficients within this subspace in high precision, e.g. 8-bit, while quantizing the rest to 4-bit. Within each subspace, invariant random rotation is applied to further suppress outliers. We show that this is a provably optimal mixed precision quantization scheme that minimizes error. With the Llama and Qwen2.5 families of models, we demonstrate that ResQ outperforms recent uniform and mixed precision PTQ methods on a variety of benchmarks, achieving up to 33\% lower perplexity on Wikitext than the next best method SpinQuant, and upto 3\times speedup over 16-bit baseline. Code is available at https://github.com/utkarsh-dmx/project-resq.
Symmetry-Robust 3D Orientation Estimation
Venue: Conference ICML 2025
Year: 2025

Orientation estimation is a fundamental task in 3D shape analysis which consists of estimating a shape's orientation axes: its side-, up-, and front-axes. Using this data, one can rotate a shape into canonical orientation, where its orientation axes are aligned with the coordinate axes. Developing an orientation algorithm that reliably estimates complete orientations of general shapes remains an open problem. We introduce a two-stage orientation pipeline that achieves state of the art performance on up-axis estimation and further demonstrate its efficacy on full-orientation estimation, where one seeks all three orientation axes. Unlike previous work, we train and evaluate our method on all of Shapenet rather than a subset of classes. We motivate our engineering contributions by theory describing fundamental obstacles to orientation estimation for rotationally-symmetric shapes, and show how our method avoids these obstacles.
How Do Large Language Monkeys Get Their Power (Laws)?
Venue: Conference ICML 2025
Year: 2025

Recent research across mathematical problem solving, proof assistant programming and multimodal jailbreaking documents a striking finding: when (multimodal) language model tackle a suite of tasks with multiple attempts per task -- succeeding if any attempt is correct -- then the negative log of the average success rate scales a power law in the number of attempts. In this work, we identify an apparent puzzle: a simple mathematical calculation predicts that on each problem, the failure rate should fall exponentially with the number of attempts. We confirm this prediction empirically, raising a question: from where does aggregate polynomial scaling emerge? We then answer this question by demonstrating per-problem exponential scaling can be made consistent with aggregate polynomial scaling if the distribution of single-attempt success probabilities is heavy tailed such that a small fraction of tasks with extremely low success probabilities collectively warp the aggregate success trend into a power law - even as each problem scales exponentially on its own. We further demonstrate that this distributional perspective explains previously observed deviations from power law scaling, and provides a simple method for forecasting the power law exponent with an order of magnitude lower relative error, or equivalently, ${\sim}2-4$ orders of magnitude less inference compute. Overall, our work contributes to a better understanding of how neural language model performance improves with scaling inference compute and the development of scaling-predictable evaluations of (multimodal) language models.
Why Has Predicting Downstream Capabilities of Frontier AI Models with Scale Remained Elusive?
Venue: Conference ICML 2025
Year: 2025

Predicting changes from scaling advanced AI systems is a desirable property for engineers, economists, governments and industry alike, and, while a well-established literature exists on how pretraining performance scales, predictable scaling behavior on downstream capabilities remains elusive. While many factors are certainly responsible, this paper identifies a significant factor that makes predicting scaling behavior on widely used multiple-choice question answering benchmarks challenging and illuminates a path towards making such downstream evaluations predictable with scale. Using five model families and twelve well-established multiple-choice benchmarks, we demonstrate that downstream performance is computed from negative log likelihoods via a sequence of transformations that progressively degrades the statistical relationship between performance and scale. We then pinpoint the mechanism causing this degradation: downstream metrics require comparing the correct choice against a small number of specific incorrect choices, meaning accurately predicting downstream capabilities requires predicting not just how probability mass concentrates on the correct choice with scale, but also how probability mass fluctuates on the alternative incorrect choices with scale. We empirically study how probability mass on the correct choice co-varies with probability mass on incorrect choices with increasing compute, suggesting that scaling laws for \textit{incorrect} choices might be achievable. Our work also explains why pretraining scaling laws are commonly regarded as more predictable than downstream capabilities and contributes towards establishing scaling-predictable evaluations of frontier AI models.
The Surprising Agreement Between Convex Optimization Theory and Learning-Rate Scheduling for Large Model Training
Venue: Conference ICML 2025
Year: 2025

We show that learning-rate schedules for large model training behave surprisingly similar to a performance bound from non-smooth convex optimization theory. We provide a bound for the constant schedule with linear cooldown; in particular, the practical benefit of cooldown is reflected in the bound due to the absence of logarithmic terms. Further, we show that this surprisingly close match between optimization theory and practice can be exploited for learning-rate tuning: we achieve noticeable improvements for training 124M and 210M Llama-type models by (i) extending the schedule for continued training with optimal learning-rate, and (ii) transferring the optimal learning-rate across schedules.
Learning the RoPEs: Better 2D and 3D Position Encodings with STRING
Venue: Conference ICML 2025
Year: 2025

We introduce STRING: Separable Translationally Invariant Position Encodings. STRING extends Rotary Position Encodings, a recently proposed and widely used algorithm in large language models, via a unifying theoretical framework. Importantly, STRING still provides exact translation invariance, including token coordinates of arbitrary dimensionality, whilst maintaining a low computational footprint. These properties are especially important in robotics, where efficient 3D token representation is key. We integrate STRING into Vision Transformers with RGB(-D) inputs (color plus optional depth), showing substantial gains, e.g. in open-vocabulary object detection and for robotics controllers. We complement our experiments with a rigorous mathematical analysis, proving the universality of our methods.
FastCAV: Efficient Computation of Concept Activation Vectors for Explaining Deep Neural Networks
Venue: Conference ICML 2025
Year: 2025

Concepts such as objects, patterns, and shapes are how humans understand the world. Building on this intuition, concept-based explainability methods aim to study representations learned by deep neural networks in relation to human-understandable concepts. Here, Concept Activation Vectors (CAVs) are an important tool and can identify whether a model learned a concept or not. However, the computational cost and time requirements of existing CAV computation pose a significant challenge, particularly in large-scale, high-dimensional architectures. To address this limitation, we introduce FastCAV, a novel approach that accelerates the extraction of CAVs by up to 63.6x (on average 46.4x). We provide a theoretical foundation for our approach and give concrete assumptions under which it is equivalent to established SVM-based methods. Our empirical results demonstrate that CAVs calculated with FastCAV maintain similar performance while being more efficient and stable. In downstream applications, i.e., concept-based explanation methods, we show that FastCAV can act as a replacement leading to equivalent insights. Hence, our approach enables previously infeasible investigations of deep models, which we demonstrate by tracking the evolution of concepts during model training.