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Deep Learning · Algorithms

Tongtian Zhu, Tianyu Zhang, Mingze Wang, Zhanpeng Zhou, Can Wang

Decentralized learning provides a scalable alternative to parameter-server-based training, yet its performance is often hindered by limited peer-to-peer communication. In this paper, we study how communication should be scheduled over time, including determining when and how frequently devices synchronize. Counterintuitive empirical results show that concentrating communication budgets in the later stages of decentralized training remarkably improves global test performance. Surprisingly, we uncover that fully connected communication at the final step, implemented by a single global merging, can significantly improve the performance of decentralized learning under high data heterogeneity. Our theoretical contributions, which explain these phenomena, are the first to establish that the globally merged model of decentralized SGD can match the convergence rate of parallel SGD. Technically, we reinterpret part of the discrepancy among local models, which were previously considered as detrimental noise, as constructive components essential for matching this rate. This work provides evidence that decentralized learning is able to generalize under high data heterogeneity and limited communication, while offering broad new avenues for model merging research.

Wenyi Wang, Piotr Piękos, Li Nanbo, Firas Laakom, Yimeng Chen, Mateusz Ostaszewski, Mingchen Zhuge, Jürgen Schmidhuber

Recent studies operationalize self-improvement through coding agents that edit their own codebases. They grow a tree of self-modifications through expansion strategies that favor higher software engineering benchmark performance, assuming that this implies more promising subsequent self-modifications. However, we identify a mismatch between the agent’s self-improvement potential (metaproductivity) and its coding benchmark performance, namely the Metaproductivity-Performance~Mismatch. Inspired by Huxley’s concept of clade, we propose a metric ($\mathrm{CMP}$) that aggregates the benchmark performances of the descendants of an agent as an indicator of its potential for self-improvement. We show that, in our self-improving coding agent development setting, access to the true CMP is sufficient to simulate how the Gödel Machine would behave under certain assumptions. We introduce the Huxley-G\"odel Machine (HGM), which, by estimating $\mathrm{CMP}$ and using it as guidance, searches the tree of self-modifications. On SWE-bench Verified and Polyglot, HGM outperforms prior self-improving coding agent development methods while using fewer allocated CPU hours. Last but not least, HGM demonstrates strong transfer to other coding datasets and LLMs. %large language models. The agent optimized by HGM on SWE-bench Verified with GPT-5 mini and evaluated on SWE-bench Lite with GPT-5 achieves human-level performance, matching the best officially checked results of human-engineered coding agents. Our code is publicly available at https://github.com/metauto-ai/HGM.

Wenyi Wang, Piotr Piękos, Li Nanbo, Firas Laakom, Yimeng Chen, Mateusz Ostaszewski, Mingchen Zhuge, Jürgen Schmidhuber

Recent studies operationalize self-improvement through coding agents that edit their own codebases. They grow a tree of self-modifications through expansion strategies that favor higher software engineering benchmark performance, assuming that this implies more promising subsequent self-modifications. However, we identify a mismatch between the agent’s self-improvement potential (metaproductivity) and its coding benchmark performance, namely the Metaproductivity-Performance~Mismatch. Inspired by Huxley’s concept of clade, we propose a metric ($\mathrm{CMP}$) that aggregates the benchmark performances of the descendants of an agent as an indicator of its potential for self-improvement. We show that, in our self-improving coding agent development setting, access to the true CMP is sufficient to simulate how the Gödel Machine would behave under certain assumptions. We introduce the Huxley-G\"odel Machine (HGM), which, by estimating $\mathrm{CMP}$ and using it as guidance, searches the tree of self-modifications. On SWE-bench Verified and Polyglot, HGM outperforms prior self-improving coding agent development methods while using fewer allocated CPU hours. Last but not least, HGM demonstrates strong transfer to other coding datasets and LLMs. %large language models. The agent optimized by HGM on SWE-bench Verified with GPT-5 mini and evaluated on SWE-bench Lite with GPT-5 achieves human-level performance, matching the best officially checked results of human-engineered coding agents. Our code is publicly available at https://github.com/metauto-ai/HGM.

Applications · Health

Yilan Zhang, Li Nanbo, Changchun Yang, Jürgen Schmidhuber, Xin Gao

The integration of histology images and gene profiles has shown great promise for improving survival prediction in cancer. However, current approaches often struggle to model intra- and inter-modal interactions efficiently and effectively due to the high dimensionality and complexity of the inputs. A major challenge is capturing critical prognostic events that, though few, underlie the complexity of the observed inputs and largely determine patient outcomes. These events---manifested as high-level structural signals such as spatial histologic patterns or pathway co-activations---are typically sparse, patient-specific, and unannotated, making them inherently difficult to uncover. To address this, we propose SlotSPE, a slot-based framework for structural prognostic event modeling. Specifically, inspired by the principle of factorial coding, we compress each patient’s multimodal inputs into compact, modality-specific sets of mutually distinctive slots using slot attention. By leveraging these slot representations as encodings for prognostic events, our framework enables both efficient and effective modeling of complex intra- and inter-modal interactions, while also facilitating seamless incorporation of biological priors that enhance prognostic relevance. Extensive experiments on ten cancer benchmarks show that SlotSPE outperforms existing methods in 8 out of 10 cohorts, achieving an overall improvement of 2.9%. It remains robust under missing genomic data and delivers markedly improved interpretability through structured event decomposition.

Computer Vision · Vision Models & Multimodal

Arina Kharlamova, Bowei He, Chen Ma, Xue Liu

Online services rely on CAPTCHAs as a first line of defense against automated abuse, yet recent advances in multi-modal large language models (MLLMs) have eroded the effectiveness of conventional designs that focus on text recognition or 2D image understanding. To address this challenge, we present **Spatial CAPTCHA**, a novel human-verification framework that leverages fundamental differences in spatial reasoning between humans and MLLMs. Unlike existing CAPTCHAs that rely on low-level perception tasks vulnerable to modern AI, Spatial CAPTCHA generates dynamic questions requiring geometric reasoning, perspective-taking, occlusion handling, and mental rotation—skills intuitive for humans but difficult for current AI systems. The system employs a procedural generation pipeline with constraint-based difficulty control, automated correctness verification, and human-in-the-loop validation to ensure scalability, robustness, and adaptability. Evaluation on a corresponding benchmark, **Spatial-CAPTCHA-Bench**, demonstrates that humans vastly outperform 10 state-of-the-art MLLMs, with the best model achieving only 31.0\% Pass@1 accuracy. Result comparison with Google reCAPTCHA further confirms the effectiveness of Spatial CAPTCHA as both a security mechanism and a diagnostic tool for spatial reasoning in AI.

Deep Learning · Everything Else

Taolin Zhang, Hang Guo, Wang Lu, Tao Dai, Shu-Tao Xia, Jindong Wang

As large language models (LLMs) continue to scale up, their performance on various downstream tasks has significantly improved. However, evaluating their capabilities has become increasingly expensive, as performing inference on a large number of benchmark samples incurs high computational costs. In this paper, we revisit the model-item performance matrix and show that it exhibits sparsity, that representative items can be selected as anchors, and that the task of efficient benchmarking can be formulated as a sparse optimization problem. Based on these insights, we propose SparseEval, a method that, for the first time, adopts gradient descent to optimize anchor weights and employs an iterative refinement strategy for anchor selection. We utilize the representation capacity of MLP to handle sparse optimization and propose the Anchor Importance Score and Candidate Importance Score to evaluate the value of each item for task-aware refinement. Extensive experiments demonstrate the low estimation error and high Kendall’s $\tau$ of our method across a variety of benchmarks, showcasing its superior robustness and practicality in real-world scenarios. Code is available at https://github.com/taolinzhang/SparseEval.

Applications · Language, Speech and Dialog

Tali Dror, Iftach Shoham, Moshe Buchris, Oren Gal, Haim Permuter, Gilad Katz, Eliya Nachmani

Audio inpainting seeks to restore missing segments in degraded recordings. Previous diffusion-based methods exhibit impaired performance when the missing region is large. We introduce the first approach that applies discrete diffusion over tokenized music representations from a pre-trained audio tokenizer, enabling stable and semantically coherent restoration of long gaps. Our method further incorporates two training approaches: a derivative-based regularization loss that enforces smooth temporal dynamics, and a span-based absorbing transition that provides structured corruption during diffusion. Experiments on the MusicNet and MAESTRO datasets with gaps up to 750ms show that our approach consistently outperforms strong baselines across range of gap lengths, for gaps of 150ms and above. This work advances musical audio restoration and introduces new directions for discrete diffusion model training. Visit our project page for examples and code.

General Machine Learning · Representation Learning

Lei Wang, Xi Ding, Yongsheng Gao, Piotr Koniusz

Learning from structured multi-way data, represented as higher-order tensors, requires capturing complex interactions across tensor modes while remaining computationally efficient. We introduce Uncertainty-driven Kernel Tensor Learning (UKTL), a novel kernel framework for $M$-mode tensors that compares mode-wise subspaces derived from tensor unfoldings, enabling expressive and robust similarity measures. To handle large-scale tensor data, we propose a scalable Nystr\"{o}m kernel linearization with dynamically learned pivot tensors obtained via soft $k$-means clustering. A key innovation of UKTL is its uncertainty-aware subspace weighting, which adaptively down-weights unreliable mode components based on estimated confidence, improving robustness and interpretability in comparisons between input and pivot tensors. Our framework is fully end-to-end trainable and naturally incorporates both multi-way and multi-mode interactions through structured kernel compositions. Extensive evaluations on action recognition benchmarks (NTU-60, NTU-120, Kinetics-Skeleton) show that UKTL achieves state-of-the-art performance, superior generalization, and meaningful mode-wise insights. This work establishes a principled, scalable, and interpretable kernel learning paradigm for structured multi-way and multi-modal tensor sequences.

Theory · Learning Theory

Qiwei Di, Kaixuan Ji, Xuheng Li, Heyang Zhao, Quanquan Gu

LLM inference often generates a batch of candidates for a prompt and selects one via strategies like majority voting or Best-of- N (BoN). For difficult tasks, this single-shot selection often underperforms. Consequently, evaluations commonly report Pass@$k$: the agent may submit up to $k$ responses, and only the best of them is used when computing regret. Motivated by this, we study inference scaling in the more general Pass@$k$ inference setting, and prove that neither majority voting nor BoN exhibits the desirable scaling with $k$ and the sampling budget $N$. Combining the advantages of majority voting and BoN, we propose a new inference strategy called Best-of-Majority (BoM), with a pivotal step that restricts the candidates to the responses with high frequency in the $N$ samples before selecting the top-$k$ rewards. We prove that when the sampling budget is $N=\tilde\Omega(C^\*)$, the regret of BoM is $O(\epsilon_{\mathrm{opt}}+\sqrt{\epsilon_{\mathrm{RM}}^2C^\*/k})$, where $C^*$ is the coverage coefficient, $\epsilon_{\mathrm{RM}}$ is the estimation error of the reward model, and $\epsilon_{\mathrm{opt}}$ is the estimation error of reward at the optimal response. We further establish a matching lower bound, certifying that our algorithm is minimax optimal. Beyond optimality, BoM has a key advantage: unlike majority voting and BoN, its performance does not degrade when increasing $N$. Experimental results of inference on math problems show BoM outperforming both majority voting and BoN.

Computer Vision · Everything Else

Cristina González, Santiago Rodriguez, Kevis-Kokitsi Maninis, Jordi Pont-Tuset, Pablo Arbelaez

Open-ended segmentation requires models capable of generating free-form descriptions of previously unseen concepts and regions. Despite advancements in model development, current evaluation protocols for open-ended segmentation tasks fail to capture the true semantic accuracy of the generated descriptions. We empirically demonstrate that embedding‐based similarity score mappings diverge significantly from human judgments. To address this issue, we introduce a novel mapping function that considers multiple lexical relationships between free‐form outputs and test‐vocabulary labels, yielding much closer alignment with human annotations. We integrate this mapping into a robust evaluation framework and re‐benchmark previous state‐of‐the‐art methods. Additionally, we present the first Multi-modal Large‐Language Model trained with a contrastive objective to jointly align visual regions and textual descriptions, achieving new state‐of‐the‐art results in open‐ended panoptic segmentation.

Deep Learning · Generative Models and Autoencoders

Saurabh Singh, Dmitry Lagun

Stochastic Interpolants (SI) is a powerful framework for generative modeling, capable of flexibly transforming between two probability distributions. However, its use in jointly optimized latent variable models remains unexplored as it requires direct access to the samples from the two distributions. This work presents Latent Stochastic Interpolants (LSI) enabling joint learning in a latent space with end-to-end optimized encoder, decoder and latent SI models. We achieve this by developing a principled Evidence Lower Bound (ELBO) objective derived directly in continuous time. The joint optimization allows LSI to learn effective latent representations along with a generative process that transforms an arbitrary prior distribution into the encoder-defined aggregated posterior. LSI sidesteps the simple priors of the normal diffusion models and mitigates the computational demands of applying SI directly in high-dimensional observation spaces, while preserving the generative flexibility of the SI framework. We demonstrate the efficacy of LSI through comprehensive experiments on the standard large scale ImageNet generation benchmark.

Deep Learning · Graph Neural Networks

Yaniv Galron, Hadar Sinai, Haggai Maron, Moshe Eliasof

Graph Neural Networks (GNNs) have demonstrated remarkable success in various domains such as social networks, molecular chemistry, and more. A crucial component of GNNs is the pooling procedure, in which the node features calculated by the model are combined to form an informative final descriptor to be used for the downstream task. However, previous graph pooling schemes rely on the last GNN layer features as an input to the pooling or classifier layers, potentially under-utilizing important activations of previous layers produced during the forward pass of the model, which we regard as historical graph activations. This gap is particularly pronounced in cases where a node’s representation can shift significantly over the course of many graph neural layers, and worsened by graph-specific challenges such as over-smoothing in deep architectures. To bridge this gap, we introduce HistoGraph, a novel two‑stage attention‑based final aggregation layer that first applies a unified layer-wise attention over intermediate activations, followed by node-wise attention. By modeling the evolution of node representations across layers, our HistoGraph leverages both the activation history of nodes and the graph structure to refine features used for final prediction. Empirical results on multiple graph classification benchmarks demonstrate that HistoGraph offers strong performance that consistently improves traditional techniques, with particularly strong robustness in deep GNNs. Our code is at https://github.com/YanivDorGalron/HISTOGRAPH

Social Aspects · Accountability, Transparency and Interpretability

Hakaze Cho, Haolin Yang, Gouki Minegishi, Naoya Inoue

In-context Learning (ICL) is an emerging few-shot learning paradigm based on modern Language Models (LMs), yet its inner mechanism remains unclear. In this paper, we investigate the mechanism through a novel perspective of information removal. Specifically, we demonstrate that in the zero-shot scenario, LMs encode queries into non-selective representations in hidden states containing information for all possible tasks, leading to arbitrary outputs without focusing on the intended task, resulting in near-zero accuracy. Meanwhile, we find that selectively removing specific information from hidden states by a low-rank filter effectively steers LMs toward the intended task. Building on these findings, by measuring the hidden states on carefully designed metrics, we observe that few-shot ICL effectively simulates such task-oriented information removal processes, selectively removing the redundant information from entangled non-selective representations, and improving the output based on the demonstrations, which constitutes a key mechanism underlying ICL. Moreover, we identify essential attention heads inducing the removal operation, termed Denoising Heads, which enables the ablation experiments blocking the information removal operation from the inference, where the ICL accuracy significantly degrades, especially when the correct label is absent from the few-shot demonstrations, confirming both the critical role of the information removal mechanism and denoising heads.

Theory · Learning Theory

Marco Nurisso, Pierrick Leroy, Giovanni Petri, Francesco Vaccarino

Understanding the properties of the parameter space in feed-forward ReLU networks is critical for effectively analyzing and guiding training dynamics. After initialization, training under gradient flow decisively restricts the parameter space to an algebraic variety that emerges from the homogeneous nature of the ReLU activation function. In this study, we examine two key challenges associated with feed-forward ReLU networks built on general directed acyclic graph (DAG) architectures: the (dis)connectedness of the parameter space and the existence of singularities within it. We extend previous results by providing a thorough characterization of connectedness, highlighting the roles of bottleneck nodes and balance conditions associated with specific subsets of the network. Our findings clearly demonstrate that singularities are intricately connected to the topology of the underlying DAG and its induced sub-networks. We discuss the reachability of these singularities and establish a principled connection with differentiable pruning. We validate our theory with simple numerical experiments.

General Machine Learning · Everything Else

Abdul Waheed, Zhen Wu, Dareen Alharthi, Seungone Kim, Bhiksha Raj

Precisely evaluating video understanding models remains challenging: commonly used metrics such as BLEU, ROUGE, and BERTScore fail to capture the nuances of human judgment, while obtaining such judgments through manual evaluation is costly. Recent work has explored using large language models (LLMs) or multimodal LLMs (MLLMs) as evaluators, but their extension to video understanding remains relatively unexplored. In this work, we introduce VideoJudge, a 3B and 7B-sized MLLM judge specialized to evaluate outputs from video understanding models (\textit{i.e.}, text responses conditioned on videos). To train VideoJudge, our recipe builds on the interplay between a generator and an evaluator: the generator is prompted to produce responses conditioned on a target rating, and responses not matching the evaluator's rating are discarded. Across three out of four meta-evaluation benchmarks, VideoJudge-7B outperforms or is on par with larger MLLM judge baselines such as Qwen2.5-VL (32B and 72B). Notably, we find that LLM judges (Qwen3) models perform worse than MLLM judges (Qwen2.5-VL), and long chain-of-thought reasoning does not improve performance, indicating that providing video inputs is crucial for the evaluation of video understanding tasks.

General Machine Learning · Everything Else

Abdul Waheed, Zhen Wu, Carolyn Rose, Daphne Ippolito

Code data has been shown to enhance the reasoning capabilities of large language models (LLMs), but it remains unclear which aspects of code are most responsible. We investigate this question with a systematic, data-centric framework. We construct parallel instruction datasets across ten programming languages and introduce controlled perturbations that selectively disrupt structural and semantic properties of code. We then fine-tune LLMs from five model families and eight scales on each variant and evaluate their performance on natural language, math, and code tasks. Across 3,331 experiments, our results show that LLMs are more vulnerable to structural perturbations than semantic ones, particularly on math and code tasks. Appropriate abstractions like pseudocode and flowcharts can be as effective as code, while encoding the same information with fewer tokens without adhering to original syntax can often retain or even improve performance. Notably, even corrupted code with misleading signals remains competitive when surface-level regularities persist. Finally, syntactic styles also shape task-specific gains, with Python favoring natural language reasoning and lower-level languages such as Java and Rust favoring math. Through our systematic framework, we provide a fine-grained analysis of how different aspects of code influence reasoning and inform the design of training data for enhancing LLM reasoning capabilities.

Reinforcement Learning · Function Approximation

Yixian Zhang, Huaze Tang, Changxu Wei, Chao Wang, Wenbo Ding

Reinforcement learning (RL) policies represented in Reproducing Kernel Hilbert Spaces (RKHS) offer powerful representational capabilities. While second-order optimization methods like Newton's method demonstrate faster convergence than first-order approaches, current RKHS-based policy optimization remains constrained to first-order techniques. This limitation stems primarily from the intractability of explicitly computing and inverting the infinite-dimensional Hessian operator in RKHS. We introduce Policy Newton in RKHS, the first second-order optimization framework specifically designed for RL policies represented in RKHS. Our approach circumvents direct computation of the inverse Hessian operator by optimizing a cubic regularized auxiliary objective function. Crucially, we leverage the Representer Theorem to transform this infinite-dimensional optimization into an equivalent, computationally tractable finite-dimensional problem whose dimensionality scales with the trajectory data volume. We establish theoretical guarantees proving convergence to a local optimum with a local quadratic convergence rate. Empirical evaluations on a toy financial asset allocation problem validate these theoretical properties, while experiments on standard RL benchmarks demonstrate that Policy Newton in RKHS achieves superior convergence speed and higher episodic rewards compared to established first-order RKHS approaches and parametric second-order methods. Our work bridges a critical gap between non-parametric policy representations and second-order optimization methods in reinforcement learning.

Applications · Robotics

Yixian Zhang, Shu-ang Yu, Tonghe Zhang, Mo Guang, Haojia Hui, Kaiwen Long, Yu Wang, Chao Yu, Wenbo Ding

Training expressive flow-based policies with off-policy reinforcement learning is notoriously unstable due to gradient pathologies in the multi-step action sampling process. We trace this instability to a fundamental connection: the flow rollout is algebraically equivalent to a residual recurrent computation, making it susceptible to the same vanishing and exploding gradients as RNNs. To address this, we reparameterize the velocity network using principles from modern sequential models, introducing two stable architectures: Flow-G, which incorporates a gated velocity, and Flow-T, which utilizes a decoded velocity. We then develop a practical SAC-based algorithm, enabled by a noise-augmented rollout, that facilitates direct end-to-end training of these policies. Our approach supports both from-scratch and offline-to-online learning and achieves state-of-the-art performance on continuous control and robotic manipulation benchmarks, eliminating the need for common workarounds like policy distillation or surrogate objectives. Anonymized code is available at \url{https://anonymous.4open.science/r/SAC-FLOW}

Applications · Physics

Youngwoo Cho, Seunghoon Yi, Wooil Yang, Sungmo Kang, Young-Woo Son, Jaegul Choo, Joonseok Lee, Soo Kyung Kim, Hongkee Yoon

Pre-trained materials foundation models, or machine learning interatomic potentials, leverage general physicochemical knowledge to effectively approximate potential energy surfaces. However, they often require domain-specific calibration due to physicochemical diversity as well as mismatches between practical computational settings and those used in constructing the pre-training data. To address this, we propose a sparsity-promoting fine-tuning method that selectively updates model parameters by exploiting the structural properties of E(3)-equivariant materials foundation models. On energy and force prediction tasks across molecular and crystalline benchmarks, our method matches or surpasses full fine-tuning and equivariant low-rank adaptation while updating only ~3 \% of parameters, and in some cases as little as \~0.5 \%. Beyond energy and force calibration, we further demonstrate task generalizability by applying our method to magnetic moment prediction and magnetism-aware total energy modeling. Finally, analysis of sparsity patterns reveals physically interpretable signatures, such as enhanced $d$-orbital contributions in transition metal systems. Overall, our results establish sparsity-promoting fine-tuning as a flexible and interpretable method for domain specialization of equivariant materials foundation models.

Applications · Climate

Chenrui Xu, Xi Huang, Ying-Jun Zhang, Jianwei Huang

Accurate prediction of extreme wind velocities has substantial significance in industry, particularly for the operation management of wind power plants. Although the state-of-the-art data-driven models perform well for general meteorological forecasting, they may exhibit large errors for extreme weather—for example, systematically underestimating the magnitudes and short-term variation of extreme winds. To address this issue, we conduct a theoretical analysis of how the data frequency spectrum influences errors in extreme wind prediction. Based on these insights, we propose a novel loss function that incorporates a gradient penalty to mitigate the magnitude shrinkage of extreme weather, and we theoretically justify its effectiveness via a PDE-based energy–enstrophy analysis. To capture more precise short-term wind velocity variations, we design a novel structure of physics-embedded machine learning models with frequency reweighting. Experiments demonstrate that, compared to the baseline models, our approach achieves significant improvements in predicting extreme wind velocities while maintaining robust overall performance.