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General Machine Learning · Evaluation

Fengyuan Liu, Jay Gala, Nilaksh, Dzmitry Bahdanau, Siva Reddy, Hugo Larochelle

Evaluating the real-world capabilities of AI systems requires grounding benchmark performance in human-interpretable measures of task difficulty. Existing approaches that rely on direct human task completion time annotations are costly, noisy, and difficult to scale across benchmarks. In this work, we propose BRIDGE, a unified psychometric framework that learns the latent difficulty scale from model responses and anchors it to human task completion time. Using a two-parameter logistic Item Response Theory model, we jointly estimate latent task difficulty and model capability from model performance data across multiple benchmarks. We demonstrate that latent task difficulty varies linearly with the logarithm of human completion time, allowing human task completion time to be inferred for new benchmarks from model performance alone. Leveraging this alignment, we forecast frontier model capabilities in terms of human task length and independently reproduce METR’s exponential scaling results, with the 50% solvable task horizon doubling approximately every 6 months.

Applications · Chemistry, Physics, and Earth Sciences

Michael McCabe, Payel Mukhopadhyay, Tanya Marwah, Bruno Régaldo-Saint Blancard, François Rozet, Cristiana Diaconu, Lucas Meyer, Kaze Wong, Hadi Sotoudeh, Alberto Bietti 等

Foundation models have transformed machine learning for language and vision, but achieving comparable impact in physical simulation remains a challenge. Data heterogeneity and unstable long-term dynamics inhibit learning from sufficiently diverse dynamics, while varying resolutions and dimensionalities challenge efficient training on modern hardware. Through empirical and theoretical analysis, we incorporate new approaches to mitigate these obstacles, including a harmonic-analysis–based stabilization method, load-balanced distributed 2D-3D training strategies, and compute-adaptive tokenization. Using these tools, we develop \Walrus, a transformer-based foundation model developed primarily for fluid-like continuum dynamics. \Walrus\ is pretrained on nineteen diverse scenarios spanning astrophysics, geoscience, rheology, plasma physics, acoustics, and classical fluids. Experiments show that \Walrus\ outperforms prior foundation models on both short- and long-term prediction horizons on downstream tasks and across the breadth of pretraining data, while ablation studies confirm the value of our contributions to forecast stability, training throughput, and transfer performance over conventional approaches.

Deep Learning · Large Language Models

Dongwon Jo, Beomseok Kang, Jiwon Song, jae-joon kim

The quadratic complexity of attention remains the central bottleneck in long-context inference for large language models. Prior acceleration methods either sparsify the attention map with structured patterns or permanently evict tokens at specific layers, which can retain irrelevant tokens or rely on irreversible early decisions despite the layer-/head-wise dynamics of token importance. In this paper, we propose Token Sparse Attention, a lightweight and dynamic token-level sparsification mechanism that compresses per-head $Q, K, V$ to a reduced token set during attention and then decompresses the output back to the original sequence, enabling token information to be reconsidered in subsequent layers. Furthermore, Token Sparse Attention exposes a new design point at the intersection of token selection and sparse attention. Our approach is fully compatible with dense attention implementations, including Flash Attention, and can be seamlessly composed with existing sparse attention kernels. Experimental results show that Token Sparse Attention consistently improves accuracy–latency trade-off, achieving up to $\times$3.23 attention speedup at 128K context with less than 1\% accuracy degradation. These results demonstrate that dynamic and interleaved token-level sparsification is a complementary and effective strategy for scalable long-context inference.

Applications · Chemistry, Physics, and Earth Sciences

Louis Serrano, Rudy Morel, Jiequn Han, Edouard Oyallon, Shirley Ho

Neural operators have shown promise in learning solution maps of partial differential equations (PDEs), but they often struggle to generalize when test inputs lie outside the training distribution, such as novel initial conditions, unseen PDE coefficients or unseen physics. Prior works address this limitation with large scale multi physics pretraining followed by fine tuning, but this still requires examples from the new dynamics, falling short of true zero shot generalization. In this work, we propose a method to enhance generalization at test-time, i.e, without modifying pretrained weights.Building on DISCO, which provides a dictionary of neural operators trained across different dynamics, we introduce a neural operator splitting strategy that, at test time, searches over compositions of training operators to approximate unseen dynamics. On challenging out-of-distribution tasks including parameter extrapolation and novel combinations of physics phenomena, our approach achieves state-of-the-art zero shot generalization results, while being able to recover the underlying PDE parameters. These results underscore test-time computation as a key avenue for building flexible, compositional, and generalizable neural operators.

Katherine Keegan, Lars Ruthotto

Generative models have enjoyed widespread success in a variety of applications. However, they encounter inherent mathematical limitations in modeling distributions where samples are constrained by equalities, as is frequently the setting in scientific domains. In this work, we develop a computationally cheap, mathematically justified, and highly flexible distributional modification for combating known pitfalls in equality-constrained generative models. We propose perturbing the data distribution in a constraint-aware way such that the new distribution has support matching the ambient space dimension while still implicitly incorporating underlying manifold geometry. Through theoretical analyses and empirical evidence on several representative tasks, we illustrate that our approach consistently enables data distribution recovery and stable sampling with both diffusion models and normalizing flows.

Muge Qi, Rong Fu, Pengbin Feng, Xianda Li, Yu Cai, Yifu Guo, Shizhe Zhang, Simon Fong, Bin Li, Lei Ma

The task of temporal answer grounding in instructional videos (TAGV), which aims to locate precise video segments that respond to natural language queries, is increasingly important for direct video answer retrieval. This task remains challenging due to the need to comprehend semantically complex questions and to address the significant length mismatch between untrimmed videos and short target moments. Existing methods often suffer from sensitivity to irrelevant content or insufficient visual reasoning capabilities. To tackle these limitations, we propose a Candidate-Aware Causal Reasoning (CACR) framework. Our approach first employs a Visual-Language Pre-training based Candidate Selection (VBCS) algorithm to efficiently generate K candidate segments, then applies a temporal logic reasoning module enhanced by a rejection reward mechanism and optimized via Group Relative Policy Optimization (GRPO) for robust inference. Extensive experiments on six benchmarks demonstrate that our method achieves state-of-the-art performance in terms of mean Intersection-over-Union (mIoU), providing a new perspective for reasoning-based retrieval in long videos.

Applications · Everything Else

Ali Noshad, Zishan Zheng, Yinjun Wu

To reduce LLM costs and latency, semantic caching systems must accurately identify when a new prompt matches a cached one. Current methods often rely on simplistic similarity measures, which limit their effectiveness. We introduce MVR-cache, a novel semantic caching approach that significantly improves retrieval accuracy by integrating Multi-Vector Retrieval (MVR). MVR-cache is built upon a learnable segmentation model that intelligently splits prompts, enabling fine-grained similarity comparisons via MaxSim. We derive the model’s training objectives from a rigorous theoretical analysis. This can ensure that optimizing these objectives directly maximizes cache hits under strict correctness constraints. To solve the resulting non-differentiable combinatorial optimization problem, we leverage a reinforcement learning-based training strategy with the theoretically grounded objectives as the reward. Experimental results on established benchmarks across diverse tasks confirm that in comparison to the state-of-the-art, MVR-cache consistently increases the cache hit rates by up to 25% while maintaining the same correctness guarantees.

Deep Learning · Large Language Models

Kaustubh Vijaykumar Pethkar, Ziyang Xiong, Zuofeng Shang, Yingcong Li

Continual incorporation of new knowledge is essential for the long-term evolution of large language models (LLMs). Existing approaches typically rely on parameter-update algorithms to mitigate catastrophic forgetting, yet they suffer from fundamental limitations: 1) forgetting is unavoidable as the amount of newly injected knowledge grows; and 2) model updates are often irreversible. As modern LLMs become increasingly expressive, it is natural to question whether large-scale weight updates are necessary for acquiring a small amount of new knowledge. In this work, we propose a principled framework that models autoregressive language generation as a Markov process over tokens, where model memory is represented by a Markov transition matrix. Under this formulation, incorporating new knowledge/tokens corresponds to extending the state space, and preserving existing transitions guarantees retention of previously learned knowledge. We then prove a sample complexity bound for incorporating new tokens via a token-to-dictionary mapping strategy. In particular, for learning the transition behavior of each new token, the required number of samples scales linearly with the number of existing tokens it is mapped to. To realize this mapping, we propose an embedding-tuning algorithm that requires minimal parameter updates and induces zero forgetting. Experimental results further demonstrate the effectiveness of our method and validate our theoretical findings.

General Machine Learning · Unsupervised and Semi-supervised Learning

Fernando Julio Cendra, Kai Han

Generalized Category Discovery (GCD) aims to identify both known and novel categories within unlabeled data by leveraging a set of labeled examples from known categories. Existing GCD methods primarily depend on semantic labels and global image representations, often overlooking the detailed part-level cues that are crucial for distinguishing closely related categories. In this paper, we introduce PartCo, short for Part-Level Correspondence Prior, a novel framework that enhances category discovery by incorporating part-level visual feature correspondences. By leveraging part-level relationships, PartCo captures finer-grained semantic structures, enabling a more nuanced understanding of category relationships. Importantly, PartCo seamlessly integrates with existing GCD methods without requiring significant modifications. Our extensive experiments on multiple benchmark datasets demonstrate that PartCo significantly improves the performance of current GCD approaches, outperforming most existing methods by bridging the gap between semantic labels and part-level visual compositions, thereby setting new benchmarks for GCD. Code will be made publicly available.

Deep Learning · Large Language Models

Yansen Zhang, Qingcan Kang, Yujie chen, Yufei Wang, Xiongwei Han, Tao Zhong, Mingxuan Yuan, Chen Ma

Large language models (LLMs) have opened new paradigms in optimization modeling by enabling the generation of executable solver code from natural language descriptions. Despite this promise, existing approaches typically remain solver-driven: they rely on single-pass forward generation and apply limited post-hoc fixes based on solver error messages, leaving undetected semantic errors that silently produce syntactically correct but logically flawed models. To address this challenge, we propose SAC-Opt, a backward-guided correction framework that grounds optimization modeling in problem semantics rather than solver feedback. At each step, SAC-Opt aligns the original semantic anchors with those reconstructed from the generated code and selectively corrects only the mismatched components, driving convergence toward a semantically faithful model. This anchor-driven correction enables fine-grained refinement of constraint and objective logic, enhancing both fidelity and robustness without requiring additional training or supervision. Empirical results on seven public datasets demonstrate that SAC-Opt improves average modeling accuracy by 7.7%, with gains of up to 21.9% on the ComplexLP dataset. These findings highlight the importance of semantic-anchored correction in LLM-based optimization workflows to ensure faithful translation from problem intent to solver-executable code.

Applications · Chemistry, Physics, and Earth Sciences

Ziyi Yang, Zitong Tian, Yinjun Jia, Tianyi Zhang, Jiqing Zheng, Hao Wang, Yubu Su, Juncai He, Lei Liu, Yanyan Lan

D-peptide binders targeting L-proteins have promising therapeutic potential. Despite rapid advances in machine learning-based target-conditioned peptide design, generating D-peptide binders remains largely unexplored. In this work, we show that by injecting axial features to E(3)-equivariant (polar) vector features, it is feasible to achieve cross-chirality generalization from homo-chiral (L-L) training data to hetero-chiral (D-L) design tasks. By implementing this method within a latent diffusion model, we achieved D-peptide binder design that not only outperforms existing tools in *in silico* benchmarks, but also demonstrates efficacy in wet-lab validation. To our knowledge, our approach represents the first experimentally validated AI generative model for the *de novo* design of D-peptide binders, offering new perspectives on handling chirality in protein design.

Theory · Everything Else

Angel REYERO LOBO, Thirion Bertrand, Pierre Neuvial

Conditional independence testing (CIT) is essential for reliable scientific discovery. It prevents spurious findings and enables controlled feature selection. Recent CIT methods have used machine learning (ML) models as surrogates of the underlying distribution. However, model-agnostic approaches require a train-test split, which reduces statistical power. We introduce Semi-knockoffs, a CIT method that can accommodate any pre-trained model, avoids this split, and provides valid p-values and false discovery rate (FDR) control for high-dimensional settings. Unlike methods that rely on the model-$X$ assumption (known input distribution), Semi-knockoffs only require conditional expectations for continuous variables. This makes the procedure less restrictive and more practical for machine learning integration. To ensure validity when these expectations are estimated, we present two new theoretical results: (i) stability for regularized models trained with a null feature and (ii) the double-robustness property.

Deep Learning · Everything Else

Ozan Candogan, Ayoub Foussoul

We introduce Deep Flow Networks (DFNs), a new class of discrete function approximators. DFNs are inspired by and generalize minimum-cost flow value functions that map node imbalances on a subset of nodes to the optimal flow cost. Such functions are known to be M-convex (Murota2003) and admit efficient optimization. On the theoretical side, we prove that DFNs are universal approximators for discrete functions on $\mathbb{Z}^d$ that admit convex extensions to $\mathbb{R}^d$, and characterize their optimization complexity in terms of their deviation from the M-convex regime. Guided by these results, we develop a practical DFN implementation for learning from data. Finally, we evaluate our implementation empirically on data from different ground-truth functions, showing that DFNs achieve strong approximation accuracy while being substantially faster to optimize than benchmark approaches.

Ionut-Vlad Modoranu, Philip Zmushko, Erik Schultheis, Mher Safaryan, Dan Alistarh

Shampoo is one of the leading approximate second-order optimizers: a variant of it has won the MLCommons AlgoPerf competition, and it has been shown to produce models with lower activation outliers that are easier to compress. Yet, applying Shampoo currently comes at the cost of significant computational slowdown, due to its expensive internal operations. In this paper, we take a significant step to address this shortcoming by proposing \method (for Distributed Accelerated SHampoo), a faster implementation of Distributed Shampoo based on two main new techniques: First, we show that preconditioner blocks can be stacked into 3D tensors to significantly improve GPU utilization; second, we introduce the Newton-DB iteration and the Chebyshev polynomial approximations as novel and faster approaches for computing the inverse matrix roots required by Shampoo. Along with these algorithmic contributions, we provide a first in-depth analysis of how matrix scaling critically affects Shampoo convergence. On the practical side, our GPU-aware implementation achieves up to $4.83\times$ faster optimizer steps compared to the well-optimized Distributed Shampoo, while Newton-DB attains the lowest validation perplexity per iteration among all tested methods.

Deep Learning · Large Language Models

Yiqun Yao, Xiang Li, Xin Jiang, Xuezhi Fang, Naitong Yu, Siwei Dong, Wenjia Ma, Jing Li, Aixin Sun, Yequan Wang

It is widely recognized that, after generative pre-training, Transformer FeedForward layers implicitly function as semantic memory, encoding linguistic and factual knowledge, while the contexts in key–value (KV) cache contain raw events, serving as the source of models' episodic memory. In this work, we show that a same group of Transformer FeedForward-layer parameters can both be semantic and episodic memory, which is retrievable without explicitly attending to the related KV cache. To realize this idea, we introduce Hypermem, a hypernetwork that recurrently maps contexts into targeted updates of FeedForward parameters. We post-train the hypernetwork using continuation and random-access associative memory objectives, eliminating the need for test-time training. Extensive experiments demonstrate that our approach outperforms related methods, including MemoryLLM and generative adapter, on memory retrieval, long-context question answering, and personalization benchmarks, establishing a new state of the art for hypernetwork-based memory mechanisms. Our results suggest that directly bridging data and parameters provides a viable direction for exploring next-generation foundation models with more flexible and persistent memory capabilities.

Deep Learning · Large Language Models

Yupeng Chen, Senmiao Wang, Yushun Zhang, Zhihang Lin, Haozhe Zhang, Weijian Sun, Tian Ding, Ruoyu Sun

Large language models (LLMs) have demonstrated remarkable capabilities across a wide range of tasks. Typically, LLMs are first pre-trained on large corpora and subsequently fine-tuned on task-specific datasets. However, during fine-tuning, LLMs may forget some knowledge acquired in the pre-training stage, leading to a decline in general capabilities. Existing approaches to mitigate forgetting often rely on access to pre-training data, which may be unavailable in many real-world scenarios—such as fine-tuning checkpoint-only open-source LLMs. To address this challenge, we propose a new fine-tuning algorithm termed Momentum-Filtered Optimizer (MoFO). MoFO is an extension of greedy block coordinate descent (BCD) methods: in each iteration, MoFO only updates the model parameters with the largest momentum magnitudes, while keeping all other parameters fixed. MoFO achieves similar fine-tuning performance to the default fine-tuning algorithm while effectively mitigating knowledge forgetting. We validate MoFO through rigorous convergence analysis and extensive experiments, demonstrating its effectiveness in mitigating forgetting without pre-training data.

General Machine Learning · Causality

Ai Bo, Junzhe Zhang, M. Cenk Gursoy

Meta-Reinforcement Learning (Meta-RL) focuses on training policies using data collected from a variety of diverse environments. This approach enables the policy to adapt to new settings with only a few training steps. While many Meta-RL methods have demonstrated success, they often rely on the assumption that unobserved confounders can be excluded \emph{a priori}. This paper investigates robust Meta-RL in sequential decision-making, given confounded observational data collected across multiple heterogeneous environments. We introduce a novel augmentation procedure for standard Meta-RL algorithms (e.g., MAML), which employs partial identification methods to generate posterior counterfactual trajectories from candidate environments that align with the confounded observations. These counterfactual trajectories are then used to find a policy initialization that produces strong generalization performance in the target domain. Theoretical analysis reveals that our causal Meta-RL approach is guaranteed to yield a solution that minimizes generalization loss in future inference tasks.

Applications · Computer Vision

Lei Li, Angela Dai

We present HOI-PAGE, a new approach that prioritizes part-level affordance reasoning to generate high-fidelity 4D human-object interactions (HOIs) from text prompts in a zero-shot fashion. In contrast to prior works that focus on global, whole body-object motion synthesis, our approach explicitly reasons about the underlying fine-grained mechanics of interactions using large language models (LLMs). We capture this reasoning in a structured part affordance graph (PAG) representation, serving as a high-level interaction scaffolding to guide a three-stage synthesis: first, decomposing input 3D objects into semantic parts; then, generating reference HOI videos from text prompts to extract part-based motion constraints; and finally, optimizing for 4D HOI motion sequences that mimic the reference dynamics while satisfying part-level contact constraints. Extensive experiments show that our approach is flexible and capable of generating complex multi-object or multi-person interaction sequences, with significantly improved realism and text alignment for zero-shot 4D HOI generation.

Theory · Online Learning and Bandits

Dhruv Sarkar, Abhishek Sinha

We propose an anytime online algorithm for learning a sequence of convex cost functions while approximately satisfying a sequence of convex constraints, without prior knowledge of the time horizon. Both the cost and constraint functions may be chosen adversarially over time. While this problem has recently been resolved in the setting where the time horizon is known, extending these guarantees to the anytime setting, without resorting to inefficient doubling tricks, has remained technically challenging. Our main contribution is the introduction of a time-varying yet horizon-oblivious Lyapunov function to track constraint violations. The use of such a time-varying Lyapunov function introduces new technical difficulties, as a key monotonicity property underlying prior analyses no longer holds. By developing a novel analytical technique, we show that our algorithm achieves $O(\sqrt{t})$ \regret~ and $\tilde{O}(\sqrt{t})$ cumulative constraint violation (\CCV) for all $t \geq 1$. We further extend our framework to the dynamic regret setting, obtaining bounds that adapt to the unknown path length of the comparator sequence. Finally, we present an adaptive algorithm for the optimistic setting, whose performance scales gracefully with the cumulative prediction error. We validate the practical effectiveness of our approach through numerical experiments on the online shortest path problem.

General Machine Learning · Transfer, Multitask and Meta-learning

Hossein Zakerinia, Jonathan Scott, Christoph Lampert

Personalized federated learning has emerged as a popular approach to training on devices holding statistically heterogeneous data, known as clients. However, most existing approaches require a client to have labeled data for training or finetuning in order to obtain their own personalized model. In this paper we address this by proposing FLowDUP, a novel method that is able to generate a personalized model using only a forward pass with unlabeled data. The generated model parameters reside in a low-dimensional subspace, enabling efficient communication and computation. FLowDUP's learning objective is theoretically motivated by our new transductive multi-task PAC-Bayesian generalization bound, that provides performance guarantees for unlabeled clients. The objective is structured in such a way that it allows both clients with labeled data and clients with only unlabeled data to contribute to the training process. To supplement our theoretical results we carry out a thorough experimental evaluation of FLowDUP, demonstrating strong empirical performance on a range of datasets with differing sorts of statistically heterogeneous clients. Through numerous ablation studies, we test the efficacy of the individual components of the method.