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Optimization · Large Scale, Parallel and Distributed

Shaomin Li

We study the mediation analysis under the distributed framework, where data are stored and processed across different worker machines due to storage limitations or privacy concerns. Building upon the classic Sobel's test and MaxP test, we introduce the distributed Sobel's test and distributed MaxP test, respectively. These tests are both communication-efficient and easy to implement. Theoretical analysis and numerical experiments show that, compared to the global test obtained by pooling all data together, the proposed tests achieve nearly identical power, independent of the number of machines. Furthermore, based on these two distributed test statistics, many enhanced mediation tests derived from the Sobel's or MaxP tests can be easily adapted to the distributed system. We apply our method to an educational study, testing whether the effect of high school mathematics on college-level Probability and Mathematical Statistics courses is mediated by Calculus. Our method successfully detects the mediation effect, which would not be identifiable using data from only the first or second class, highlighting the advantage of our approach.

Deep Learning · Everything Else

Jiawei Gu, Ziyue Qiao, Xinming Li, Zechao Li

Global Covariance Pooling (GCP) has garnered increasing attention in visual recognition tasks, where second-order statistics frequently yield stronger representations than first-order approaches. However, two main streams of GCP---Newton--Schulz-based iSQRT-COV and exact or near-exact SVD methods---struggle at opposite ends of the training spectrum. While iSQRT-COV stabilizes early learning by avoiding large gradient explosions, it over-compresses significant eigenvalues in later stages, causing an \emph{over-flattening} phenomenon that stalls final accuracy. In contrast, SVD-based methods excel at preserving the high-eigenvalue structure essential for deep networks but suffer from sensitivity to small eigenvalue gaps early on. We propose \textbf{Halley-SVD}, a high-order iterative method that unites the smooth gradient advantages of iSQRT-COV with the late-stage fidelity of SVD. Grounded in Halley's iteration, our approach obviates explicit divisions by $(\lambda_i - \lambda_j)$ and forgoes threshold- or polynomial-based heuristics. As a result, it prevents both early gradient explosions and the excessive compression of large eigenvalues. Extensive experiments on CNNs and transformer architectures show that Halley-SVD consistently and robustly outperforms iSQRT-COV at large model scales and batch sizes, achieving higher overall accuracy without mid-training switches or custom truncations. This work provides a new solution to the long-standing dichotomy in GCP, illustrating how high-order methods can balance robustness and spectral precision to fully harness the representational power of modern deep networks.

Theory · Learning Theory

Adel Javanmard, Rudrajit Das, Alessandro Epasto, Vahab Mirrokni

Retraining a model using its own predictions together with the original, potentially noisy labels is a well-known strategy for improving the model’s performance. While prior works have demonstrated the benefits of specific heuristic retraining schemes, the question of how to optimally combine the model's predictions and the provided labels remains largely open. This paper addresses this fundamental question for binary classification tasks. We develop a principled framework based on approximate message passing (AMP) to analyze iterative retraining procedures for two ground truth settings: Gaussian mixture model (GMM) and generalized linear model (GLM). Our main contribution is the derivation of the Bayes optimal aggregator function to combine the current model's predictions and the given labels, which when used to retrain the same model, minimizes its prediction error. We also quantify the performance of this optimal retraining strategy over multiple rounds. We complement our theoretical results by proposing a practically usable version of the theoretically-optimal aggregator function and demonstrate its superiority over baseline methods under different label noise models.

Computer Vision · Vision Models & Multimodal

Dong-Hee Paek, SEUNG-HYUN KONG

Sensor fusion of camera, LiDAR, and 4-dimensional (4D) Radar has brought a significant performance improvement in autonomous driving. However, there still exist fundamental challenges: deeply coupled fusion methods assume continuous sensor availability, making them vulnerable to sensor degradation and failure, whereas sensor-wise cross-attention fusion methods struggle with computational cost and unified feature representation. This paper presents availability-aware sensor fusion (ASF), a novel method that employs unified canonical projection (UCP) to enable consistency in all sensor features for fusion and cross-attention across sensors along patches (CASAP) to enhance robustness of sensor fusion against sensor degradation and failure. As a result, the proposed ASF shows a superior object detection performance to the existing state-of-the-art fusion methods under various weather and sensor degradation (or failure) conditions; Extensive experiments on the K-Radar dataset demonstrate that ASF achieves improvements of 9.7\% in $AP_{BEV}$ (87.2\%) and 20.1\% in $AP_{3D}$ (73.6\%) in object detection at IoU=0.5, while requiring a low computational cost. All codes are available at https://github.com/kaist-avelab/k-radar.

Deep Learning · Attention Mechanisms

Jianqiao Zheng, Xueqian Li, Hemanth Saratchandran, Simon Lucey

Convolutional Neural Networks (CNNs) inherently encode strong inductive biases, enabling effective generalization on small-scale datasets. In this paper, we propose integrating this inductive bias into ViTs, not through an architectural intervention but solely through initialization. The motivation here is to have a ViT that can enjoy strong CNN-like performance when data assets are small, but can still scale to ViT-like performance as the data expands. Our approach is motivated by our empirical results that random impulse filters can achieve commensurate performance to learned filters within a CNN. We improve upon current ViT initialization strategies, which typically rely on empirical heuristics such as using attention weights from pretrained models or focusing on the distribution of attention weights without enforcing structures. Empirical results demonstrate that our method significantly outperforms standard ViT initialization across numerous small and medium-scale benchmarks, including Food-101, CIFAR-10, CIFAR-100, STL-10, Flowers, and Pets, while maintaining comparative performance on large-scale datasets such as ImageNet-1K. Moreover, our initialization strategy can be easily integrated into various transformer-based architectures such as Swin Transformer and MLP-Mixer with consistent improvements in performance.

Deep Learning · Generative Models and Autoencoders

Zichen Liu, Wei Zhang, Tiejun Li

Euclidean diffusion models have achieved remarkable success in generative modeling across diverse domains, and they have been extended to manifold cases in recent advances. Instead of explicitly utilizing the structure of special manifolds as studied in previous works, in this paper we investigate direct sampling of the Euclidean diffusion models for general manifold-structured data. We reveal the multiscale singularity of the score function in the ambient space, which hinders the accuracy of diffusion-generated samples. We then present an elaborate theoretical analysis of the singularity structure of the score function by decomposing it along the tangential and normal directions of the manifold. To mitigate the singularity and improve the sampling accuracy, we propose two novel methods: (1) Niso-DM, which reduces the scale discrepancies in the score function by utilizing a non-isotropic noise, and (2) Tango-DM, which trains only the tangential component of the score function using a tangential-only loss function. Numerical experiments demonstrate that our methods achieve superior performance on distributions over various manifolds with complex geometries.

Computer Vision · Vision Models & Multimodal

Xuewei Bai, Yongcai Wang, Deying Li, Haodi Ping, LI Chunxu

Existing tracking-by-detection Multi-Object Tracking methods mainly rely on associating objects with tracklets using motion and appearance features. However, variations in viewpoint and occlusions can result in discrepancies between the features of current objects and those of historical tracklets. To tackle these challenges, this paper proposes a novel Spatial-Temporal Tracklet Graph Matching paradigm (STAR). The core idea of STAR is to achieve long-term, reliable object association through the association of ``tracklet clips (TCs)". TCs are segments of confidently associated multi-object trajectories, which are linked through graph matching. Specifically, STAR initializes TCs using a Confident Initial Tracklet Generator (CITG) and constructs a TC graph via Tracklet Clip Graph Construction (TCGC). In TCGC, each object in a TC is treated as a vertex, with the appearance and local topology features encoded on the vertex. The vertices and edges of the TC graph are then updated through message propagation to capture higher-order features. Finally, a Tracklet Clip Graph Matching (TCGM) method is proposed to efficiently and accurately associate the TCs through graph matching. STAR is model-agnostic, allowing for seamless integration with existing methods to enhance their performance. Extensive experiments on diverse datasets, including MOTChallenge, DanceTrack, and VisDrone2021-MOT, demonstrate the robustness and versatility of STAR, significantly improving tracking performance under challenging conditions.

Applications · Neuroscience, Cognitive Science

Zhixuan Zhou, Tingting Dan, Guorong Wu

A fundamental challenge in cognitive neuroscience is understanding how cognition emerges from the interplay between structural connectivity (SC) and dynamic functional connectivity (FC) in the brain. Network neuroscience has emerged as a powerful framework to understand brain function through a holistic perspective on structure-function relationships. In this context, current machine learning approaches typically seek to establish direct mappings between structural connectivity (SC) and functional connectivity (FC) associated with specific cognitive states. However, these state-independent methods often yield inconsistent results due to overlapping brain networks across cognitive states. To address this limitation, we conceptualize to uncover the dendritic coupling mechanism between one static SC and multiple FCs by solving a flow problem that bridges the distribution of SC to a mixed distribution of FCs, conditioned on various cognitive states, along a Riemannian manifold of symmetric positive-definite (SPD) manifold. We further prove the equivalence between flow matching on the SPD manifold and on the computationally efficient Cholesky manifold. Since a spare of functional connections is shared across cognitive states, we introduce the notion of consensus control to promote the shared kinetic structures between multiple FC-to-SC pathways via synchronized coordination, yielding a biologically meaningful underpinning on SC-FC coupling mechanism. Together, we present BrainFlow, a reversible generative model that achieves state-of-the-art performance on not only synthetic data but also large-scale neuroimaging datasets from UK Biobank and Human Connectome Project.

Deep Learning · Generative Models and Autoencoders

Nimrod Berman, Omkar Joglekar, Eitan Kosman, Dotan Di Castro, Omri Azencot

Recent advances in generative modeling have positioned diffusion models as state-of-the-art tools for sampling from complex data distributions. While these models have shown remarkable success across single-modality domains such as images and audio, extending their capabilities to *Modality Translation (MT)*, translating information across different sensory modalities, remains an open challenge. Existing approaches often rely on restrictive assumptions, including shared dimensionality, Gaussian source priors, and modality-specific architectures, which limit their generality and theoretical grounding. In this work, we propose the Latent Denoising Diffusion Bridge Model (LDDBM), a general-purpose framework for modality translation based on a latent-variable extension of Denoising Diffusion Bridge Models. By operating in a shared latent space, our method learns a bridge between arbitrary modalities without requiring aligned dimensions. We introduce a contrastive alignment loss to enforce semantic consistency between paired samples and design a domain-agnostic encoder-decoder architecture tailored for noise prediction in latent space. Additionally, we propose a predictive loss to guide training toward accurate cross-domain translation and explore several training strategies to improve stability. Our approach supports arbitrary modality pairs and performs strongly on diverse MT tasks, including multi-view to 3D shape generation, image super-resolution, and multi-view scene synthesis. Comprehensive experiments and ablations validate the effectiveness of our framework, establishing a new strong baseline in general modality translation. For more information, see our project page: https://sites.google.com/view/lddbm/home.

Deep Learning · Everything Else

Patryk Marszałek, Tomasz Kuśmierczyk, Witold Wydmański, Jacek Tabor, Marek Śmieja

Clustering tabular data remains a significant open challenge in data analysis and machine learning. Unlike for image data, similarity between tabular records often varies across datasets, making the definition of clusters highly dataset-dependent. Furthermore, the absence of supervised signals complicates hyperparameter tuning in deep learning clustering methods, frequently resulting in unstable performance. To address these issues and minimize the need for per-dataset tuning, we adopt an emerging approach in deep learning: zero-shot learning. We propose ZEUS, a self-contained model capable of clustering new datasets without any additional training or fine-tuning. It operates by decomposing complex datasets into meaningful components that can then be clustered effectively. Thanks to pre-training on synthetic datasets generated from a latent-variable prior, it generalizes across various datasets without requiring user intervention. To the best of our knowledge, ZEUS is the first zero-shot method capable of generating embeddings for tabular data in a fully unsupervised manner. Experimental results demonstrate that it performs on par with or better than traditional clustering algorithms and recent deep learning-based methods, while being significantly faster and more user-friendly.

Applications · Robotics

Junhao Shi, Zhaoye Fei, Siyin Wang, Qipeng Guo, Jingjing Gong, Xipeng Qiu

Large Vision-Language Models (LVLMs) show promise for embodied planning tasks but struggle with complex scenarios involving unfamiliar environments and multi-step goals. Current approaches rely on environment-agnostic imitation learning that disconnects instructions from environmental contexts, causing models to struggle with context-sensitive instructions and rely on supplementary cues rather than visual reasoning during long-horizon interactions. In this work, we propose World-Aware Planning Narrative Enhancement (WAP), a framework that infuses LVLMs with comprehensive environmental understanding through four cognitive capabilities (visual appearance modeling, spatial reasoning, functional abstraction, and syntactic grounding) while developing and evaluating models using only raw visual observations through curriculum learning. Evaluations on the EB-ALFRED benchmark demonstrate substantial improvements, with Qwen2.5-VL achieving a 60.7 absolute improvement in task success rates—particularly in commonsense reasoning (+60.0) and long-horizon planning (+70.0). Notably, our enhanced open-source models outperform proprietary systems like GPT-4o and Claude-3.5-Sonnet by a large margin.

Computer Vision · Vision Models & Multimodal

Pritam Sarkar, Ali Etemad

Despite recent advances in Large Video Language Models (LVLMs), they still struggle with fine-grained temporal understanding, hallucinate, and often make simple mistakes on even simple video question-answering tasks, all of which pose significant challenges to their safe and reliable deployment in real-world applications. To address these limitations, we propose a self-alignment framework that enables LVLMs to learn from their own errors. Our proposed framework first obtains a training set of preferred and non-preferred response pairs, where non-preferred responses are generated by incorporating common error patterns that often occur due to inadequate spatio-temporal understanding, spurious correlations between co-occurring concepts, and over-reliance on linguistic cues while neglecting the vision modality, among others. To facilitate self-alignment of LVLMs with the constructed preferred and non-preferred response pairs, we introduce Refined Regularized Preference Optimization (RRPO), a novel preference optimization method that utilizes sub-sequence-level refined rewards and token-wise KL regularization to address the limitations of Direct Preference Optimization (DPO). We demonstrate that RRPO achieves more precise alignment and more stable training compared to DPO. Our experiments and analysis validate the effectiveness of our approach across diverse video tasks, including video hallucination, short- and long-video understanding, and fine-grained temporal reasoning.

Applications · Chemistry and Drug Discovery

Zhiqiang Zhong, Davide Mottin

Recent studies in *Machine Learning* (ML) for biological research focus on investigating molecular properties to accelerate drug discovery. However, limited labeled molecular data often hampers the performance of ML models. A common strategy to mitigate data scarcity is leveraging auxiliary learning tasks to provide additional supervision, but selecting effective auxiliary tasks requires substantial domain expertise and manual effort, and their inclusion does not always guarantee performance gains. To overcome these challenges, we introduce *Automatic Auxiliary Task Selection* (AutAuT), a fully automated framework that seamlessly retrieves auxiliary tasks using large language models and adaptively integrates them through a novel *gradient alignment* weighting mechanism. By automatically emphasizing auxiliary tasks aligned with the primary objective, AutAuT significantly enhances predictive accuracy while reducing negative impacts from irrelevant tasks. Extensive evaluations demonstrate that AutAuT outperforms *10* auxiliary task-based approaches and *18* advanced molecular property prediction models.

General Machine Learning · Causality

Sridhar Mahadevan

In this paper, we explore the universal properties underlying causal inference by formulating it in terms of a topos. More concretely, we introduce topos causal models (TCMs), a strict generalization of the popular structural causal models (SCMs). A topos category has several properties that make it attractive: a general theory for how to combine local functions that define ``independent causal mechanisms" into a consistent global function building on the theory of sheaves in a topos; a generic way to define causal interventions using a subobject classifier in a topos category; and finally, an internal logical language for causal and counterfactual reasoning that emerges from the topos itself. A striking characteristic of subobject classifiers is that they induce an intuitionistic logic, whose semantics is based on the partially ordered lattice of subobjects. We show that the underlying subobject classifier for causal inference is not Boolean in general, but forms a Heyting algebra. We define the internal Mitchell-B\'enabou language, a typed local set theory, associated with causal models, and its associated Kripke-Joyal intuitionistic semantics. We prove a universal property of TCM, namely that any causal functor mapping decomposable structure to probabilistic semantics factors uniquely through a TCM representation.

Deep Learning · Graph Neural Networks

Tianxiang Zhao, Youqing Wang, Jinlu Wang, Jiapu Wang, Mingliang Cui, Junbin Gao, Jipeng Guo

Due to its powerful capability of self-supervised representation learning and clustering, contrastive attributed graph clustering (CAGC) has achieved great success, which mainly depends on effective data augmentation and contrastive objective setting. However, most CAGC methods utilize edges as auxiliary information to obtain node-level embedding representation and only focus on node-level embedding augmentation. This approach overlooks edge-level embedding augmentation and the interactions between node-level and edge-level embedding augmentations across various granularity. Moreover, they often treat all contrastive sample pairs equally, neglecting the significant differences between hard and easy positive-negative sample pairs, which ultimately limits their discriminative capability. To tackle these issues, a novel robust attributed graph clustering (RAGC), incorporating hybrid-collaborative augmentation (HCA) and contrastive sample adaptive-differential awareness (CSADA), is proposed. First, node-level and edge-level embedding representations and augmentations are simultaneously executed to establish a more comprehensive similarity measurement criterion for subsequent contrastive learning. In turn, the discriminative similarity further consciously guides edge augmentation. Second, by leveraging pseudo-label information with high confidence, a CSADA strategy is elaborately designed, which adaptively identifies all contrastive sample pairs and differentially treats them by an innovative weight modulation function. The HCA and CSADA modules mutually reinforce each other in a beneficent cycle, thereby enhancing discriminability in representation learning. Comprehensive graph clustering evaluations over six benchmark datasets demonstrate the effectiveness of the proposed RAGC against several state-of-the-art CAGC methods. The code of RAGC could be available at https://github.com/TianxiangZhao0474/RAGC.git.

Applications · Everything Else

Ruida Hu, Chao Peng, XinchenWang, Junjielong Xu, Cuiyun Gao

Scaling up executable code data is significant for improving language models’ software engineering capability. The intricate nature of the process makes it labor-intensive, time-consuming and expert-knowledge-dependent to build a large number of executable code repositories, limiting the scalability of existing work based on running tests. The primary bottleneck lies in the automated building of test environments for different repositories, which is an essential yet underexplored task. To mitigate the gap, we introduce Repo2Run, the first LLM-based agent aiming at automating the building of executable test environments for any repositories at scale. Specifically, given a code repository, Repo2Run iteratively builds the Docker image, runs unit tests based on the feedback of the building, and synthesizes the Dockerfile until the entire pipeline is executed successfully. The resulting Dockerfile can then be used to create Docker container environments for running code and tests. We created a benchmark containing 420 Python repositories with unit tests for evaluation. The results illustrate that Repo2Run achieves an 86.0% success rate, outperforming SWE-agent by 77.0%. The resources of Repo2Run are available at https://github.com/bytedance/Repo2Run.

Theory · Learning Theory

Andrea Della Vecchia, Arnaud Mavakala Watusadisi, Ernesto De Vito, Lorenzo Rosasco

This paper addresses the covariate shift problem in the context of nonparametric regression within reproducing kernel Hilbert spaces (RKHSs). Covariate shift arises in supervised learning when the input distributions of the training and test data differ, presenting additional challenges for learning. Although kernel methods have optimal statistical properties, their high computational demands in terms of time and, particularly, memory, limit their scalability to large datasets. To address this limitation, the main focus of this paper is to explore the trade-off between computational efficiency and statistical accuracy under covariate shift. We investigate the use of random projections where the hypothesis space consists of a random subspace within a given RKHS. Our results show that, even in the presence of covariate shift, significant computational savings can be achieved without compromising learning performance.

Reinforcement Learning · Everything Else

Wei Shen, Guanlin Liu, Yu Yue, Ruofei Zhu, Qingping Yang, Chao Xin, Lin Yan

Reinforcement Learning from Human Feedback (RLHF) is essential for aligning large language models (LLMs) with human preferences and values. While recent research has primarily focused on algorithmic advancements—such as reducing computational overhead or strengthening reward models to mitigate reward hacking—the critical role of prompt-data construction and its scalability has received comparatively less attention. In this paper, we address this gap by systematically exploring data-driven bottlenecks that currently hinder RLHF performance scaling, focusing specifically on the challenges posed by reward hacking and decreasing response diversity. To mitigate reward hacking, we introduce a hybrid reward system combining reasoning task verifiers (RTV) and a generative reward model (GenRM). This approach not only exhibits enhanced resistance to reward hacking, but also enables accurate assessment of responses against clearly defined ground-truth solutions. Additionally, in order to ensure response diversity and enhance learning effectiveness, we propose a novel prompt-selection method named \textbf{Pre-PPO}, explicitly identifying training prompts that are inherently challenging and thus less prone to reward hacking. Furthermore, we find that \textbf{prioritizing mathematical and coding tasks during the early phases of RLHF training} significantly boosts performance, given that these tasks naturally encode fine-grained response distinctions and possess clearly defined ground truths. Through comprehensive experiments conducted across two model sizes, we validate the effectiveness and scalability of our proposed methods. Results show that RTV exhibits the strongest resistance to reward hacking, followed by GenRM with ground truth, and finally GenRM relying on SFT Best-of-N responses. Moreover, our proposed strategies enable the model to rapidly capture subtle task-specific distinctions, leading to substantial improvements in overall RLHF performance. This work underscores the importance of careful data construction and provides practical methodologies to overcome critical performance barriers in RLHF.

Social Aspects · Trustworthy Machine Learning

Yize Cheng, Vinu Sankar Sadasivan, Mehrdad Saberi, Shoumik Saha, Soheil Feizi

The increasing capabilities of Large Language Models (LLMs) have raised concerns about their misuse in AI-generated plagiarism and social engineering. While various AI-generated text detectors have been proposed to mitigate these risks, many remain vulnerable to simple evasion techniques such as paraphrasing. However, recent detectors have shown greater robustness against such basic attacks. In this work, we introduce \textbf{Adversarial Paraphrasing}, a training-free attack framework that universally humanizes any AI-generated text to evade detection more effectively. Our approach leverages an off-the-shelf instruction-following LLM to paraphrase AI-generated content under the guidance of an AI text detector, producing adversarial examples that are specifically optimized to bypass detection. Extensive experiments show that our attack is both broadly effective and highly transferable across several detection systems. For instance, compared to simple paraphrasing attack—which, ironically, increases the true positive at 1\% false positive (T@1\%F) by 8.57\% on RADAR and 15.03\% on Fast-DetectGPT—adversarial paraphrasing, guided by OpenAI-RoBERTa-Large, reduces T@1\%F by 64.49\% on RADAR and a striking 98.96\% on Fast-DetectGPT. Across a diverse set of detectors—including neural network-based, watermark-based, and zero-shot approaches—our attack achieves an average T@1\%F reduction of 87.88\% under the guidance of OpenAI-RoBERTa-Large. We also analyze the tradeoff between text quality and our attack success to find that our method can significantly reduce detection rates, with mostly a slight degradation in text quality. Our novel adversarial setup highlights the need for more robust and resilient detection strategies in the light of increasingly sophisticated evasion techniques.

Applications · Everything Else

Yinfang Chen, Jiaqi Pan, Jackson Clark, Yiming Su, Noah Zheutlin, Bhavya Bhavya, Rohan R. Arora, Yu Deng, Saurabh Jha, Tianyin Xu

In cloud-scale systems, failures are the norm. A distributed computing cluster exhibits hundreds of machine failures and thousands of disk failures; software bugs and misconfigurations are reported to be more frequent. The demand for autonomous, AI-driven reliability engineering continues to grow, as existing human-in-the-loop practices can hardly keep up with the scale of modern clouds. This paper presents STRATUS, an LLM-based multi-agent system for realizing autonomous Site Reliability Engineering (SRE) of cloud services. STRATUS consists of multiple specialized agents (e.g., for failure detection, diagnosis, mitigation), organized in a state machine to assist system-level safety reasoning and enforcement. We formalize a key safety specification of agentic SRE systems like STRATUS, termed Transactional No-Regression (TNR), which enables safe exploration and iteration. We show that TNR can effectively improve autonomous failure mitigation. STRATUS significantly outperforms state-of-the-art SRE agents in terms of success rate of failure mitigation problems in AIOpsLab and ITBench (two SRE benchmark suites), by at least 1.5 times across various models. STRATUS shows a promising path toward practical deployment of agentic systems for cloud reliability.