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Optimization · Large Scale, Parallel and Distributed

Alexander Long, Chamin Hewa Koneputugodage, Thalaiyasingam Ajanthan, Yan Zuo, Gil Avraham, Violetta Shevchenko, Hadi Mohaghegh Dolatabadi, Sameera Ramasinghe

We consider a decentralized setup in which the participants collaboratively train and serve a large neural network, and where each participant only processes a subset of the model. In this setup, we explore the possibility of unmaterializable weights, where a full weight set is never available to any one participant. We introduce Unextractable Protocol Models (UPMs): a training and inference framework that leverages the sharded model setup to ensure model shards (i.e.,, subsets) held by participants are incompatible at different time steps. UPMs periodically inject time-varying, random, invertible transforms at participant boundaries; preserving the overall network function yet rendering cross-time assemblies incoherent. On Qwen-2.5-0.5B and Llama-3.2-1B, 10 000 transforms leave FP32 perplexity unchanged ($\Delta$PPL$< 0.01$; Jensen–Shannon drift $<4 \times 10^{-5}$), and we show how to control growth for lower precision datatypes. Applying a transform every 30s adds 3% latency, 0.1% bandwidth, and 10% GPU-memory overhead at inference, while training overhead falls to 1.6% time and < 1% memory. We consider several attacks, showing that the requirements of direct attacks are impractical and easy to defend against, and that gradient-based fine-tuning of stitched partitions consumes $\geq 60\%$ of the tokens required to train from scratch. By enabling models to be collaboratively trained yet not extracted, UPMs make it practical to embed programmatic incentive mechanisms in community-driven decentralized training.

Applications · Neuroscience, Cognitive Science

Xianhan Tan, Binli Luo, Yu Qi, Yueming Wang

Brain-computer interfaces have shown great potential in motor and speech rehabilitation, but still suffer from low performance stability across days, mostly due to the instabilities in neural signals. These instabilities, partially caused by neuron deaths and electrode shifts, leading to channel-level variabilities among different recording days. Previous studies mostly focused on aligning multi-day neural signals of onto a low-dimensional latent manifold to reduce the variabilities, while faced with difficulties when neural signals exhibit significant drift. Here, we propose to learn a channel-level invariant neural representation to address the variabilities in channels across days. It contains a channel-rearrangement module to learn stable representations against electrode shifts, and a channel reconstruction module to handle the missing neurons. The proposed method achieved the state-of-the-art performance with cross-day decoding tasks over two months, on multiple benchmark BCI datasets. The proposed approach showed good generalization ability that can be incorporated to different neural networks.

Computer Vision · Image and Video Generation

Junke Wang, Xun Wang, Qiushan Guo, Peize Sun, Weilin Huang, Zuxuan Wu, Yu-Gang Jiang

Autoregressive (AR) models have demonstrated strong potential in visual generation, offering competitive performance with simple architectures and optimization objectives. However, existing methods are typically limited to single-modality conditions, \eg, text or category labels, restricting their applicability in real-world scenarios that demand image synthesis from diverse forms of controls. In this work, we present \system, the first unified autoregressive framework for Any-to-Image generation. By discretizing various visual conditions through a shared visual tokenizer and text prompts with a text tokenizer, \system supports a broad spectrum of conditional inputs within a single model, including text (text-to-image generation), spatial signals (segmentation-to-image and depth-to-image), and visual context (image editing, frame prediction, and text-to-video generation). To mitigate the risk of information leakage from condition tokens to content tokens, we introduce Disentangled Causal Attention (DCA), which separates the full-sequence causal mask into condition causal attention and content causal attention. It serves as a training-time regularizer without affecting the standard next-token prediction during inference. With this design, \system achieves new state-of-the-art results across a range of benchmark, \eg, 0.63 on GenEval and 80.02 on VBench, demonstrating its effectiveness in flexible and high-fidelity visual generation.

Optimization · Discrete Optimization

Ni Zhang, Zhiguang Cao

Existing GFlowNet-based methods for vehicle routing problems (VRPs) typically employ Trajectory Balance (TB) to achieve global optimization but often neglect important aspects of local optimization. While Detailed Balance (DB) addresses local optimization more effectively, it alone falls short in solving VRPs, which inherently require holistic trajectory optimization. To address these limitations, we introduce the Hybrid-Balance GFlowNet (HBG) framework, which uniquely integrates TB and DB in a principled and adaptive manner by aligning their intrinsically complementary strengths. Additionally, we propose a specialized inference strategy for depot-centric scenarios like the Capacitated Vehicle Routing Problem (CVRP), leveraging the depot node's greater flexibility in selecting successors. Despite this specialization, HBG maintains broad applicability, extending effectively to problems without explicit depots, such as the Traveling Salesman Problem (TSP). We evaluate HBG by integrating it into two established GFlowNet-based solvers, i.e., AGFN and GFACS, and demonstrate consistent and significant improvements across both CVRP and TSP, underscoring the enhanced solution quality and generalization afforded by our approach.

Deep Learning · Theory

Georgios Gavrilopoulos, Guillaume Lecué, Zong Shang

We obtain upper bounds for the estimation error of Kernel Ridge Regression (KRR) for all non-negative regularization parameters, offering a geometric perspective on various phenomena in KRR. As applications: 1. We address the multiple descent problem, unifying the proofs of arXiv:1908.10292 and arXiv:1904.12191 for polynomial kernels and we establish multiple descent for the upper bound of estimation error of KRR under sub-Gaussian design and non-asymptotic regimes. 2. For a sub-Gaussian design vector and for non-asymptotic scenario, we prove a one-sided isomorphic version of the Gaussian Equivalent Conjecture. 3. We offer a novel perspective on the linearization of kernel matrices of non-linear kernel, extending it to the power regime for polynomial kernels. 4. Our theory is applicable to data-dependent kernels, providing a convenient and accurate tool for the feature learning regime in deep learning theory. 5. Our theory extends the results in arXiv:2009.14286 under weak moment assumption. Our proof is based on three mathematical tools developed in this paper that can be of independent interest: 1. Dvoretzky-Milman theorem for ellipsoids under (very) weak moment assumptions. 2. Restricted Isomorphic Property in Reproducing Kernel Hilbert Spaces with embedding index conditions. 3. A concentration inequality for finite-degree polynomial kernel functions.

Computer Vision · Vision Models & Multimodal

Lei Hu, Yongjing Ye, Shihong Xia

The expansion of instruction-tuning data has enabled foundation language models to exhibit improved instruction adherence and superior performance across diverse downstream tasks. Semantically-rich 3D human motion is being progressively integrated with these foundation models to enhance multimodal understanding and cross-modal generation capabilities. However, the modality gap between human motion and text raises unresolved concerns about catastrophic forgetting during this integration. In addition, developing autoregressive-compatible pose representations that preserve generalizability across heterogeneous downstream tasks remains a critical technical barrier. To address these issues, we propose the Human Motion-Vision-Language Model (HMVLM), a unified framework based on the Mixture of Expert Low-Rank Adaption(MoE LoRA) strategy. The framework leverages the gating network to dynamically allocate LoRA expert weights based on the input prompt, enabling synchronized fine-tuning of multiple tasks. To mitigate catastrophic forgetting during instruction-tuning, we introduce a novel zero expert that preserves the pre-trained parameters for general linguistic tasks. For pose representation, we implement body-part-specific tokenization by partitioning the human body into different joint groups, enhancing the spatial resolution of the representation. Experiments show that our method effectively alleviates knowledge forgetting during instruction-tuning and achieves remarkable performance across diverse human motion downstream tasks.

Deep Learning · Attention Mechanisms

Qingyue Yang, Jie Wang, Xing Li, Zhihai Wang, Chen Chen, Lei Chen, Xianzhi Yu, Wulong Liu, Jianye Hao, Mingxuan Yuan 等

With the development of large language models (LLMs), efficient inference through Key-Value (KV) cache compression has attracted considerable attention, especially for long-context generation. To compress the KV cache, recent methods identify critical KV tokens through static modeling of attention scores. However, these methods often struggle to accurately determine critical tokens as they neglect the *temporal patterns* in attention scores, resulting in a noticeable degradation in LLM performance. To address this challenge, we propose **AttentionPredictor**, which is the **first learning-based method to directly predict attention patterns for KV cache compression and critical token identification**. Specifically, AttentionPredictor learns a lightweight, unified convolution model to dynamically capture spatiotemporal patterns and predict the next-token attention scores. An appealing feature of AttentionPredictor is that it accurately predicts the attention score and shares the unified prediction model, which consumes negligible memory, among all transformer layers. Moreover, we propose a cross-token critical cache prefetching framework that hides the token estimation time overhead to accelerate the decoding stage. By retaining most of the attention information, AttentionPredictor achieves **13$\times$** KV cache compression and **5.6$\times$** speedup in a cache offloading scenario with comparable LLM performance, significantly outperforming the state-of-the-arts. The code is available at https://github.com/MIRALab-USTC/LLM-AttentionPredictor.

Deep Learning · Graph Neural Networks

Shengbo Gong, Juntong Ni, Noveen Sachdeva, Carl Yang, Wei Jin

Graph condensation (GC) is an emerging technique designed to learn a significantly smaller graph that retains the essential information of the original graph. This condensed graph has shown promise in accelerating graph neural networks while preserving performance comparable to those achieved with the original, larger graphs. Additionally, this technique facilitates downstream applications like neural architecture search and deepens our understanding of redundancies in large graphs. Despite the rapid development of GC methods, particularly for node classification, a unified evaluation framework is still lacking to systematically compare different GC methods or clarify key design choices for improving their effectiveness. To bridge these gaps, we introduce GC4NC, a comprehensive framework for evaluating diverse GC methods on node classification across multiple dimensions including performance, efficiency, privacy preservation, denoising ability, NAS effectiveness, and transferability. Our systematic evaluation offers novel insights into how condensed graphs behave and the critical design choices that drive their success. These findings pave the way for future advancements in GC methods, enhancing both performance and expanding their real-world applications. The code is available at https://github.com/Emory-Melody/GraphSlim/tree/main/benchmark.

Computer Vision · Segmentation

Sicheng Yang, Zhaohu Xing, Lei Zhu

Consistency learning with feature perturbation is a widely used strategy in semi-supervised medical image segmentation. However, many existing perturbation methods rely on dropout, and thus require a careful manual tuning of the dropout rate, which is a sensitive hyperparameter and often difficult to optimize and may lead to suboptimal regularization. To overcome this limitation, we propose VQ-Seg, the first approach to employ vector quantization (VQ) to discretize the feature space and introduce a novel and controllable Quantized Perturbation Module (QPM) that replaces dropout. Our QPM perturbs discrete representations by shuffling the spatial locations of codebook indices, enabling effective and controllable regularization. To mitigate potential information loss caused by quantization, we design a dual-branch architecture where the post-quantization feature space is shared by both image reconstruction and segmentation tasks. Moreover, we introduce a Post-VQ Feature Adapter (PFA) to incorporate guidance from a foundation model (FM), supplementing the high-level semantic information lost during quantization. Furthermore, we collect a large-scale Lung Cancer (LC) dataset comprising 828 CT scans annotated for central-type lung carcinoma. Extensive experiments on the LC dataset and other public benchmarks demonstrate the effectiveness of our method, which outperforms state-of-the-art approaches. Codes will be released.

Social Aspects · Trustworthy Machine Learning

Yuchen Wu, Edward Sun, Kaijie Zhu, Jianxun Lian, José Hernández-Orallo, Aylin Caliskan, Jindong Wang

Large language models (LLMs) typically generate identical or similar responses for all users given the same prompt, posing serious safety risks in high-stakes applications where user vulnerabilities differ widely. Existing safety evaluations primarily rely on context-independent metrics—such as factuality, bias, or toxicity—overlooking the fact that the same response may carry divergent risks depending on the user's background or condition. We introduce ``personalized safety'' to fill this gap and present PENGUIN—a benchmark comprising 14,000 scenarios across seven sensitive domains with both context-rich and context-free variants. Evaluating six leading LLMs, we demonstrate that personalized user information significantly improves safety scores by 43.2%, confirming the effectiveness of personalization in safety alignment. However, not all context attributes contribute equally to safety enhancement. To address this, we develop RAISE—a training-free, two-stage agent framework that strategically acquires user-specific background. RAISE improves safety scores by up to 31.6% over six vanilla LLMs, while maintaining a low interaction cost of just 2.7 user queries on average. Our findings highlight the importance of selective information gathering in safety-critical domains and offer a practical solution for personalizing LLM responses without model retraining. This work establishes a foundation for safety research that adapts to individual user contexts rather than assuming a universal harm standard.

Deep Learning · Algorithms

Sehyun Park, Jongjin Lee, Yunseop Shin, Ilsang Ohn, Yongdai Kim

Deep ensembles deliver state-of-the-art, reliable uncertainty quantification, but their heavy computational and memory requirements hinder their practical deployments to real applications such as on-device AI. Knowledge distillation compresses an ensemble into small student models, but existing techniques struggle to preserve uncertainty partly because reducing the size of DNNs typically results in variation reduction. To resolve this limitation, we introduce a new method of distribution distillation (i.e. compressing a teacher ensemble into a student distribution instead of a student ensemble) called Gaussian distillation, which estimates the distribution of a teacher ensemble through a special Gaussian process called the deep latent factor model (DLF) by treating each member of the teacher ensemble as a realization of a certain stochastic process. The mean and covariance functions in the DLF model are estimated stably by using the expectation-maximization (EM) algorithm. By using multiple benchmark datasets, we demonstrate that the proposed Gaussian distillation outperforms existing baselines. In addition, we illustrate that Gaussian distillation works well for fine-tuning of language models and distribution shift problems.

Theory · Everything Else

Neil Marchant, Benjamin Rubinstein

Reuse of data in adaptive workflows poses challenges regarding overfitting and the statistical validity of results. Previous work has demonstrated that interacting with data via differentially private algorithms can mitigate overfitting, achieving worst-case generalization guarantees with asymptotically optimal data requirements. However, such past work assumes data is _static_ and cannot accommodate situations where data _grows_ over time. In this paper we address this gap, presenting the first generalization bounds for adaptive analysis on dynamic data. We allow the analyst to adaptively _schedule_ their queries conditioned on the current size of the data, in addition to previous queries and responses. We also incorporate time-varying empirical accuracy bounds and mechanisms, allowing for tighter guarantees as data accumulates. In a batched query setting, the asymptotic data requirements of our bound grows with the square-root of the number of adaptive queries, matching prior works' improvement over data splitting for the static setting. We instantiate our bound for statistical queries with the clipped Gaussian mechanism, where it empirically outperforms baselines composed from static bounds.

Applications · Chemistry and Drug Discovery

Li Hao, He CAO, Bin Feng, Daniel Shao, Robert Tang, Zhiyuan Yan, Yonghong Tian, Li Yuan, Yu Li

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug design and reaction engineering, remains untapped. Current benchmarks focus on simple knowledge retrieval, neglecting step-by-step reasoning required for complex tasks such as molecular optimization and reaction prediction. To address this, we introduce ChemCoTBench, a reasoning framework that bridges molecular structure understanding with arithmetic-inspired operations, including addition, deletion, and substitution, to formalize chemical problem-solving into transparent, step-by-step workflows. By treating molecular transformations as modular "chemical operations", the framework enables slow-thinking reasoning, mirroring the logic of mathematical proofs while grounding solutions in real-world chemical constraints. We evaluate models on two high-impact tasks: Molecular Property Optimization and Chemical Reaction Prediction. These tasks mirror real-world challenges while providing structured evaluability. We further provide ChemCoTDataset, a pioneering 22,000-instance chemical reasoning dataset with expert-annotated chains of thought to facilitate LLM fine-tuning. By providing annotated trainable datasets, a reasoning taxonomy, and baseline evaluations, our work bridges the gap between abstract reasoning methods and practical chemical discovery, establishing a foundation for advancing LLMs as tools for AI-driven scientific innovation.

Computer Vision · Image and Video Generation

Yuanpeng Tu, Hao Luo, Xi Chen, Xiang Bai, Fan Wang, Hengshuang Zhao

We introduce PlayerOne, the first egocentric realistic world simulator, facilitating immersive and unrestricted exploration within vividly dynamic environments. Given an egocentric scene image from the user, PlayerOne can accurately construct the corresponding world and generate egocentric videos that are strictly aligned with the real-scene human motion of the user captured by an exocentric camera. PlayerOne is trained in a coarse-to-fine pipeline that first performs pretraining on large-scale egocentric text-video pairs for coarse-level egocentric understanding, followed by finetuning on synchronous motion-video data extracted from egocentric-exocentric video datasets with our automatic construction pipeline. Besides, considering the varying importance of different components, we design a part-disentangled motion injection scheme, enabling precise control of part-level movements. In addition, we devise a joint reconstruction framework that progressively models both the 4D scene and video frames, ensuring scene consistency in the long-form video generation. Experimental results demonstrate its great generalization ability in precise control of varying human movements and world-consistent modeling of diverse scenarios. It marks the first endeavor into egocentric real-world simulation and can pave the way for the community to delve into fresh frontiers of world modeling and its diverse applications.

Data-centric AI · Data-centric AI methods and tools

Zihan Ma, Taolin Zhang, Maosongcao, Junnan Liu, Wenwei Zhang, Minnan Luo, Songyang Zhang, Kai Chen

Large language models (LLMs) have recently achieved notable success in code‑generation benchmarks such as HumanEval and LiveCodeBench. However, a detailed examination reveals that these evaluation suites often comprise only a limited number of homogeneous test cases, resulting in subtle faults going undetected. This not only artificially inflates measured performance but also compromises accurate reward estimation in reinforcement learning frameworks utilizing verifiable rewards (RLVR). To address these critical shortcomings, we systematically investigate the test-case generation (TCG) task by proposing multi-dimensional metrics designed to rigorously quantify test-suite thoroughness. Furthermore, we introduce a human-LLM collaborative method (SAGA), leveraging human programming expertise with LLM reasoning capability, aimed at significantly enhancing both the coverage and the quality of generated test cases. In addition, we develop a TCGBench to facilitate the study of the TCG task. Experiments show that SAGA achieves a detection rate of 90.62\% and a verifier accuracy of 32.58\% on TCGBench. The Verifier Accuracy (Verifier Acc) of the code generation evaluation benchmark synthesized by SAGA is 10.78\% higher than that of LiveCodeBench-v6. These results demonstrate the effectiveness of our proposed method. We hope this work contributes to building a scalable foundation for reliable LLM code evaluation, further advancing RLVR in code generation, and paving the way for automated adversarial test synthesis and adaptive benchmark integration.

Applications

Yin Hang, Xiaomin He, Peiwen Yuan, Yiwei Li, Jiayi Shi, Wenxiao Fan, Shaoxiong Feng, Prof. Kan

Existing vision-language models often suffer from spatial hallucinations, i.e., generating incorrect descriptions about the relative positions of objects in an image. We argue that this problem mainly stems from the asymmetric properties between images and text. To enrich the spatial understanding ability of vision-language models, we propose a simple, annotation-free, plug-and-play method named Stitch and Tell (abbreviated as SiTe), which injects structured spatial supervision into multimodal data. It constructs stitched image–text pairs by stitching images along a spatial axis and generating spatially-aware captions or question answer pairs based on the layout of stitched image, without relying on costly advanced models or human involvement. We evaluate SiTe across three architectures including LLaVA-v1.5-7B, LLaVA-Qwen2-1.5B and HALVA-7B, two training datasets, and thirteen benchmarks. Experiments show that SiTe improves spatial understanding tasks such as $\text{MME}_{\text{Position}}$ (+5.50\%) and Spatial-MM (+4.19\%), while maintaining or improving performance on general vision-language benchmarks. Our findings suggest that explicitly injecting spatially-aware structure into training data offers an effective way to mitigate spatial hallucinations and improve spatial understanding, while preserving general vision-language capabilities.

Computer Vision · Vision Models & Multimodal

Taichi Liu, Zhenyu Wang, Ruofeng Liu, Guang Wang, Desheng Zhang

Recent advancements in 3D object detection and novel category detection have made significant progress, yet research on learning generalized 3D objectness remains insufficient. In this paper, we delve into learning open-world 3D objectness, which focuses on detecting all objects in a 3D scene, including novel objects unseen during training. Traditional closed-set 3D detectors struggle to generalize to open-world scenarios, while directly incorporating 3D open-vocabulary models for open-world ability struggles with vocabulary expansion and semantic overlap. To achieve generalized 3D object discovery, We propose OP3Det, a class-agnostic Open-World Prompt-free 3D Detector to detect any objects within 3D scenes without relying on hand-crafted text prompts. We introduce the strong generalization and zero-shot capabilities of 2D foundation models, utilizing both 2D semantic priors and 3D geometric priors for class-agnostic proposals to broaden 3D object discovery. Then, by integrating complementary information from point cloud and RGB image in the cross-modal mixture of experts, OP3Det dynamically routes uni-modal and multi-modal features to learn generalized 3D objectness. Extensive experiments demonstrate the extraordinary performance of OP3Det, which significantly surpasses existing open-world 3D detectors by up to 16.0% in AR and achieves a 13.5% improvement compared to closed-world 3D detectors.

General Machine Learning · Everything Else

Elif Arslan, Jacobus van der Linden, Serge Hoogendoorn, Marco Rinaldi, Emir Demirović

Sparse decision tree learning provides accurate and interpretable predictive models that are ideal for high-stakes applications by finding the single most accurate tree within a (soft) size limit. Rather than relying on a single “best” tree, Rashomon sets—trees with similar performance but varying structures—can be used to enhance variable importance analysis, enrich explanations, and enable users to choose simpler trees or those that satisfy stakeholder preferences (e.g., fairness) without hard-coding such criteria into the objective function. However, because finding the optimal tree is NP-hard, enumerating the Rashomon set is inherently challenging. Therefore, we introduce SORTD, a novel framework that improves scalability and enumerates trees in the Rashomon set in order of the objective value, thus offering anytime behavior. Our experiments show that SORTD reduces runtime by up to two orders of magnitude compared with the state of the art. Moreover, SORTD can compute Rashomon sets for any separable and totally ordered objective and supports post-evaluating the set using other separable (and partially ordered) objectives. Together, these advances make exploring Rashomon sets more practical in real-world applications.

General Machine Learning · Everything Else

Florian Kalinke, Shakeel Gavioli-Akilagun

This article studies the problem of online non-parametric change point detection in multivariate data streams. We approach the problem through the lens of kernel-based two-sample testing and introduce a sequential testing procedure based on random Fourier features, running with logarithmic time complexity per observation and with overall logarithmic space complexity. The algorithm has two advantages compared to the state of the art. First, our approach is genuinely online, and no access to training data known to be from the pre-change distribution is necessary. Second, the algorithm does not require the user to specify a window parameter over which local tests are to be calculated. We prove strong theoretical guarantees on the algorithm's performance, including information-theoretic bounds demonstrating that the detection delay is optimal in the minimax sense. Numerical studies on real and synthetic data show that our algorithm is competitive with respect to the state of the art.

Social Aspects · Trustworthy Machine Learning

Alvaro Correia, Christos Louizos

Conformal prediction is a distribution-free uncertainty quantification method that has gained popularity in the machine learning community due to its finite-sample guarantees and ease of use. Its most common variant, dubbed split conformal prediction, is also computationally efficient as it boils down to collecting statistics of the model predictions on some calibration data not yet seen by the model. Nonetheless, these guarantees only hold if the calibration and test data are exchangeable, a condition that is difficult to verify and often violated in practice due to so-called distribution shifts. The literature is rife with methods to mitigate the loss in coverage in this non-exchangeable setting, but these methods require some prior information on the type of distribution shift to be expected at test time. In this work, we study this problem via a new perspective, through the lens of optimal transport, and show that it is possible to estimate the loss in coverage and mitigate arbitrary distribution shifts, offering a principled and broadly applicable solution.