论文检索

Deep Learning · Robustness

Jia-Wei Hai, Yijun Wang, Xiu-Shen Wei

Visual-Language Models (VLMs), such as CLIP, have achieved significant zero-shot performance on downstream tasks with various fine-tuning adaptation methods. However, recent studies have proven that adversarial attacks can significantly degrade the inference ability of VLMs, posing substantial risks to their practical applications. Prevalent test-time adaptation methods typically rely on the multi-view augmentation to implement various fine-tuning strategies, which struggle to identify semantic information and are prone to destroy the discriminative regions in fine-grained scenarios. To address these limitations, we propose Attention-guided Test-time Prompt Tuning (A-TPT), a semantics-preserving method designed for test-time adaptation. We first refine the gradient attention rollout mechanism to identify semantically meaningful regions surviving under adversarial attacks. Furthermore, we leverage them to guide the spatially varying augmentation intensities and multi-view ensemble for prompt tuning and inference. Extensive experiments demonstrate that A-TPT outperforms existing test-time adaptation methods on both adversarial and clean data. Codes are available at https://anonymous.4open.science/r/A-TPT.

Social Aspects · Safety

Siming Huang, Yuliang Xu, Mingmeng Geng, Yao Wan, Dongping Chen

In this paper, we present a comprehensive analysis and monitoring framework for the impact of Large Language Models (LLMs) on Wikipedia, examining the evolution of Wikipedia through existing data and using simulations to explore potential risks. We begin by analyzing article content and page views to study the recent changes in Wikipedia and assess the impact of LLMs. Subsequently, we evaluate how LLMs affect various Natural Language Processing (NLP) tasks related to Wikipedia, including machine translation and retrieval-augmented generation (RAG). Our findings and simulation results reveal that Wikipedia articles have been affected by LLMs, with an impact of approximately 1% in certain categories. If the machine translation benchmark based on Wikipedia is influenced by LLMs, the scores of the models may become inflated, and the comparative results among models could shift. Moreover, the effectiveness of RAG might decrease if the knowledge has been contaminated by LLMs. While LLMs have not yet fully changed Wikipedia's language and knowledge structures, we believe that our empirical findings signal the need for careful consideration of potential future risks in NLP research.

Deep Learning · Large Language Models

Yue Min, Ziyun Qiao, Ruining Chen, Yujun Li

LLM pre-training efficacy increasingly depends on data composition rather than sheer volume. Yet, optimal mixing is hindered by categorization flaws: human taxonomies suffer from ontological misalignment, and Euclidean clustering fails to address embedding anisotropy. We introduce **GEM** (**G**eometric **E**ntropy **M**ixing), a framework reformulating data curation as a variational problem on the hypersphere augmented with a **mixing-balance regularizer**. By decoupling the generative prior and optimizing the objective via a provable **MM (Minorize-Maximize)** algorithm, GEM effectively counteracts the cluster collapse to discover balanced semantic structures invisible to Euclidean heuristics. We employ teacher-student distillation to scale this geometric fidelity to web-scale corpora and introduce the **Geometric Influence Score (GIS)** for interpretable taxonomy generation. Experiments with 1.1B-parameter models demonstrate that GEM establishes a new state-of-the-art when integrated into mixing strategies like DoReMi and RegMix, improving average downstream accuracy by up to **1.2%** and offering a robust coordinate system for predictable data mixing.

General Machine Learning · Representation Learning

Juntang Wang, Hao Wu, Yihan Wang, Dongmian Zou, Shixin Xu

Clustering-based features are widely used in machine learning, but most methods must choose a resolution---a choice that is global, fixed, and ad hoc. Recent work shows that varying the resolution parameter produces only a finite set of structurally stable partitions, known as configurations. Based on this, we introduce Configuration-Mixed Prediction (CMP), a setting where models learn to adaptively weight these configurations per sample for downstream prediction. We propose MixConfig, a plug-and-play feature augmentation module that extracts configurations from any embedding and learns energy-aware mixing weights via a novel selector that jointly reasons about sample context, cluster assignments, and stability statistics. Experiments across tabular, molecular, vision, and text domains demonstrate consistent improvements over single-resolution and static baselines across diverse predictor architectures, with gains particularly pronounced in low-data regimes.

Applications · Robotics

Kaixin Chai, Hyunjun Lee, Joseph Lim

Determining where to execute the manipulation policy is a fundamental challenge in mobile manipulation. Most approaches have formulated this as a geometric search problem, prioritizing physical reachability. However, given the high sensitivity of modern learning-based manipulation policies, geometric criteria alone are insufficient. Optimal performance requires base positioning that is aware of the policy's preference. While recent works have attempted to address this, they remain limited in practicality due to reliance on pre-built scene reconstruction and slow inference. In this work, we introduce N2M that systematically reformulates the approach to base positioning problem, naturally overcoming limitations of previous methods. Our key insight is that policy preferences are inherent to the local scene structure and can be effectively learned from the policy rollouts. Technically, we propose a novel _viewpoint augmentation_ strategy that enables the model to learn robust, viewpoint-invariant pose preferences with remarkable data efficiency. Extensive experiments demonstrate that N2M achieves state-of-the-art performance, outperforming both non-policy-aware baselines and recent policy-aware alternatives. Furthermore, we provide a comprehensive analysis highlighting N2M’s broad applicability, generalization capabilities, and data efficiency. Anonymized project website: https://nav2manip.github.io

Deep Learning · Large Language Models

Hyunseo Kim, Sangam Lee, Kwangwook Seo, Dongha Lee

Search-augmented large language models (LLMs) remain insufficient for fully addressing diverse user needs, which requires recognizing how the same query can reflect different intents across users and delivering information in preferred forms. While recent systems such as ChatGPT and Gemini attempt personalization by leveraging user histories, systematic evaluation of such personalization is under-explored. To address this gap, we propose BESPOKE, the realistic benchmark for evaluating personalization in search-augmented LLMs. BESPOKE is designed to be both realistic, by collecting authentic chat and search histories directly from humans, and diagnostic, by pairing responses with fine-grained preference scores and feedback. The benchmark is constructed through long-term, deeply engaged human annotation, where human annotators contributed their own histories, authored queries with detailed information needs, and evaluated responses with scores and diagnostic feedback. Leveraging BESPOKE, we conduct systematic analyses that reveal key requirements for effective personalization in information-seeking tasks, providing a foundation for fine-grained evaluation of personalized search-augmented LLMs. Our code and data are available at https://anonymous.4open.science/r/bespoke-E82B.

Applications · Time Series

Caiyi Yang, Chenglin Li, Hao Zhang, Weijia Lu, ZHIFEI YANG, Wenrui Dai, xiaodong Zhang, Xiaofeng Ma, Can Zhang, Junni Zou 等

Contrastive learning has advanced the representation learning across domains, yet its success relies on data augmentations that preserve semantic contents while providing the view diversities. Multivariate time series, however, are inherently noisy, non-stationary, and lack such intuitive semantic cues. Consequently, standard heuristic augmentations that ignore semantic parts may risk destroying critical temporal dependencies. Though some recent approaches attempt to isolate informative components, they typically rely on an implicit neural mechanism to infer semantics, thus limiting the interpretability and controllability. To address this, we propose ProSAR, an information-theoretic framework that leverages the explicit prototype alignment to guide semantic augmentations, and establish a feedback loop between the augmentation, contrastive learning, and prototype updates. Specifically, grounded in our proposed Prototype-Conditioned Information Bottleneck principle, we leverage the time-domain prototypes as explicit anchors to localize semantic segments, and develop a time–frequency augmentation strategy that retains prototype-consistent information while discarding noise. To promote semantically consistent prototypes for a reliable view generation, we design a dual-prototype loop where the augmented views are encoded into representations and then the learned representations are clustered to update latent prototypes, whose decoded feedback refines the time-domain prototypes for the next round of augmentation. Experiments on diverse time-series benchmarks demonstrate that ProSAR outperforms the other contrastive learning methods on downstream forecasting and classification tasks.

Deep Learning · Large Language Models

Hantao Hua, Jiming Su, hao tang, Yiping Yao, Feng Zhu

Grammar-constrained decoding is essential for enabling large language models (LLMs) to efficiently generate structured outputs in applications, such as JSON objects for parameter passing. Existing approaches typically execute grammar constraint masking on the CPU, while LLM inference is performed on the GPU. This execution mismatch introduces frequent grammar-induced CPU $\rightarrow$ GPU control and data synchronization, leading to substantial overhead in large-batch inference. In contrast, we propose Gram2Token, which preprocesses grammar constraints into token-level representations that can be executed natively on GPUs at run time, thereby reducing decoding overhead. Specifically, Gram2Token first converts the input grammar into a pushdown automaton and aligns the automaton with tokenizer outputs via a trie. Through this alignment, pushdown stack configurations are encoded into a finite set of augmented grammar states, and tokens are categorized according to the grammar states in which they are valid. We further design a GPU-native grammar-constrained decoding pipeline that replaces complex run-time grammar parsing with $O(1)$ table lookups and eliminates run-time grammar-induced CPU $\rightarrow$ GPU control dependencies. Experimental results on large-batch JSON and SQL generation tasks show that, compared to state-of-the-art implementations, **Gram2Token improves decoding throughput by 1.5×–2.3×.** These results demonstrate that GPU-native grammar-constrained decoding is an effective and scalable approach for structured LLM generation.

Applications · Chemistry, Physics, and Earth Sciences

Ali Ramlaoui, Alexandre Duval, Hannah Bull, Victor Schmidt, Hugues Talbot, Fragkiskos Malliaros, Joseph Musielewicz

Machine learning interatomic potentials (MLIPs) achieve excellent accuracy when trained on large Density Functional Theory (DFT) data. To be useful in practice, they must often be adapted to target chemistries using small and expensive task-specific datasets. However, MLIPs transfer inconsistently across domains, with representations that often loose accessible composition and structure information. To address this, we present TriForces, a model-agnostic three-stream framework that separates composition and structure information, combined with self-supervised learning to preserve transferable representations. TriForces improves performance on MatBench and QM9 over baselines without needing DFT labels and enables efficient similar structure retrieval through its learned latent space. On OMat24, in limited-data training regime, TriForces reduces energy MAE by 57\% at 20K samples only and improves force MAE across sample sizes. We release pretrained TriForces variants across multiple MLIP architectures with code at https://anonymous.4open.science/r/triforces-063E.

Applications · Time Series

Xiangfei Qiu, Xvyuan Liu, Tianen Shen, Xingjian Wu, Hanyin Cheng, Bin Yang, Jilin Hu

Time series forecasting is important in many fields that require accurate predictions for decision-making. Patching techniques, commonly used and effective in time series modeling, help capture temporal dependencies by dividing the data into patches. However, existing patch-based methods fail to dynamically select patches and typically use all patches during the prediction process. In real-world time series, there are often low-quality issues during data collection, such as missing values, distribution shifts, anomalies and white noise, which may cause some patches to contain low-quality information, negatively impacting the prediction results. To address this issue, this study proposes a robust time series forecasting framework called $\textbf{SEER}$. Firstly, we propose an $\textit{Augmented Embedding Module}$, which improves patch-wise representations using a Mixture-of-Experts~(MoE) architecture and obtains series-wise token representations through a channel-adaptive perception mechanism. Secondly, we introduce a $\textit{Learnable Patch Replacement Module}$, which enhances forecasting robustness and model accuracy through a two-stage process: 1) a dynamic filtering mechanism eliminates negative patch-wise tokens; 2) a replaced attention module substitutes the identified low-quality patches with global series-wise token, further refining their representations through a causal attention mechanism. Comprehensive experimental results demonstrate the SOTA performance of SEER.

Deep Learning · Graph Neural Networks

Yifan Li, Zhihui Wang, Changmiao Wang, Guangxiao Ma, Peng Zhang

Supervised Graph Outlier Detection has long been constrained by severe class imbalance, and although recent diffusion-based augmentation methods have improved sample quality, their practical utility is hindered by the high computational costs of multi-step iterative sampling and the stochasticity of the generation process. To overcome these bottlenecks, we propose Graph Outlier Synthesis via Origin Consistency Model (GOCM), a single-step graph outlier synthesis framework based on a consistency model. Theoretically, we pioneer the Origin Consistency (OC) mechanism by employing an ``Interval-based Origin Inference'' strategy, which mathematically derives a direct mapping from the noise trajectory to the data origin, achieving robust and efficient single-step sample generation. Architecturally, to address the complexity of heterogeneous graphs containing multiple relations, we design the Multi-input Variational Graph Auto-Encoder (MiVGAE), which decouples intricate structures via relation-level message passing and cross-relation fusion, mapping them into a unified latent space, from which GOCM synthesizes high-quality outlier nodes. Extensive experiments on multiple real-world datasets demonstrate that GOCM achieves superior detection performance with significantly improved generation efficiency. The source code is publicly available at: https://anonymous.4open.science/r/RFS-2026-EB63/.

Xingyu Zhu, Huanshen Wu, Shuo Wang, Beier Zhu, Jiannan Ge, Jiaheng Zhang, Long Chen

Pre-trained Vision-Language Models (VLMs) such as CLIP achieve strong zero-shot generalization, but their performance degrades sharply under adversarial perturbations. Existing test-time adaptation methods typically rely on sample-level confidence heuristics, overlooking the intrinsic distributional structure of the data. This sample-centric approach limits robustness, as it fails to distinguish confident adversarial mispredictions from true semantic consistency. In this work, we observe that adversarial distortion is structurally brittle: while holistic representations are corrupted, semantic integrity is often preserved in the distribution of augmented views. Motivated by this insight, we propose $\texttt{RITA}$, a $\textbf{R}$obust test-t$\textbf{I}$me promp$\textbf{T}$ $\textbf{A}$daptation framework that shifts from sample-level estimates to distribution-level alignment. Specifically, $\texttt{RITA}$ employs optimal transport to align the distribution of augmented visual features with textual prototypes, mitigating adversarial outliers and rectifying cross-modal semantic misalignment. Furthermore, we introduce a dynamic cache to progressively accumulate reliable cues from the test stream for online refinement. Extensive experiments demonstrate that $\texttt{RITA}$ significantly improves adversarial robustness without compromising clean accuracy.

Deep Learning · Algorithms

Nadine Chang, Maying Shen, Jialiang Wang, Rafid Mahmood, Jose Alvarez

Many modern AI systems are designed to operate under diverse, open-ended, use-cases. To help generalize deployed systems, developers rely on a reactive AI flywheel that observes emerging feedback from user behavior (errors) and patches the model accordingly. However, most flywheels ignore the broader context of these errors within the system's objectives, failing to preempt potential future edge cases, which leads to more unnecessary flywheel iterations. Also, it is statistically increasingly difficult to collect remaining errors due to the long-tail nature of open-world use-cases (Boneh and Hofri, 1997). This position paper argues that a *proactive test-driven flywheel* is required to address reactive flywheel's limitations and to approach a generalizable system. We advocate for creating a ``test space" to technically map feedback data to task objectives, evolving the flywheel from reactive to proactive. We augment our position by mathematically proving a proactive one achieves better long-term scaling with fewer iterations than the reactive flywheel.

Deep Learning · Large Language Models

Jianhui Chen, Yuzhang Luo, Liangming Pan

Mechanistic Interpretability has successfully identified functional circuits in Large Language Models (LLMs), yet their causal origins in the training data remain poorly understood. We bridge this gap by introducing **Mechanistic Data Attribution (MDA)**, a scalable framework that traces the formation of specific interpretable units back to training samples using Influence Functions. Through extensive pre-training experiments on the Pythia family, we causally validate that removing a small fraction of high-influence samples significantly hinders the emergence of targeted heads, whereas augmenting them accelerates formation—effects that random interventions fail to replicate. Leveraging MDA, we reveal that highly repetitive structural data—such as LaTeX and HTML—acts as a "catalyst" that significantly accelerates the emergence of induction heads. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model’s in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that builds upon these insights to consistently accelerate mechanistic convergence across diverse model scales, offering a principled methodology for understanding and steering the fine-grained development of LLM behaviors.

Deep Learning · Large Language Models

Yulin Chen, He He, Chen Zhao

Reinforcement Learning with Verifiable Reward (RLVR) has proven effective in improving Large Language Model's (LLM) reasoning ability. However, the learning dynamics of RLVR remain underexplored. In this paper, we reveal a curious phenomenon: among hard examples that the model initially struggles with, a substantial subset remains unlearnable even when correct rollouts present. To understand the phenomenon, we first demonstrate that existing optimization and sampling techniques fail to resolve unlearnability. With cross-example gradient analysis, we show that unlearnable examples have fundamental representation issue, characterized by low gradient similarity with the rest of the examples and ungeneralizable reasoning patterns. We further show that representation flaws are difficult to mitigate in RL, as data augmentation does not improve gradient similarity. Our study provides the first systematic characterization of unlearnable data in RLVR training and reveals fundamental limitations in current RL approaches for reasoning tasks.

Qinglin Zhu, Tianyu Chen, Shuai Lu, Lei Ji, Runcong Zhao, Murong Ma, Xiangxiang Dai, Yulan He, Lin Gui, Peng CHENG 等

Repository-level code editing requires models to understand complex dependencies and execute precise multi-file modifications across a large codebase. While recent gains on SWE-bench rely heavily on complex agent scaffolding, it remains unclear how much of this capability can be internalised via high-quality training signals. To address this, we propose Clean Pull Request (Clean-PR), a mid-training paradigm that leverages real-world GitHub pull requests as a training signal for repository-level editing. We introduce a scalable pipeline that converts noisy pull request diffs into Search/Replace edit blocks through reconstruction and validation, resulting in the largest publicly available corpus of 2 million pull requests spanning 12 programming languages. Using this training signal, we perform a mid-training stage followed by an agentless-aligned supervised fine-tuning process with error-driven data augmentation. On SWE-bench, our model significantly outperforms the instruction-tuned baseline, achieving absolute improvements of 13.6% on SWE-bench Lite and 12.3% on SWE-bench Verified. These results demonstrate that repository-level code understanding and editing capabilities can be effectively internalised into model weights under a simplified, agentless protocol, without relying on heavy inference-time scaffolding.

Deep Learning · Graph Neural Networks

Dmitry Eremeev, Oleg Platonov, Gleb Bazhenov, Artem Babenko, Liudmila Prokhorenkova

Graph foundation models face several fundamental challenges including transferability across datasets and data scarcity, which calls into question the very feasibility of graph foundation models. However, despite similar challenges, the tabular domain has recently witnessed the emergence of the first successful foundation models such as TabPFNv2 and LimiX. Many of these models are based on the prior-data fitted networks (PFN) framework, in which models are pretrained on carefully designed synthetic datasets to make predictions in an in-context learning setting. Recently, G2T-FM has made the first step towards adopting PFNs for graphs, yet it is limited to hand-crafted features and was never pretrained on graph data. In this work, we make the next step by proposing GraphPFN, a PFN-based model designed and pretrained specifically for graph node-level tasks. Following the PFN framework, we first design a prior distribution of synthetic attributed graphs by using a novel combination of multi-level stochastic block models and a preferential attachment process for structure generation and graph-aware structured causal models for attribute generation. Then, we augment the tabular foundation model LimiX with attention-based graph neighborhood aggregation layers and train it on synthetic graphs sampled from our prior. On diverse real-world graph datasets with node-level tasks, GraphPFN shows strong in-context learning performance and achieves state-of-the-art results after finetuning, outperforming both G2T-FM and task-specific GNNs trained from scratch on most datasets. More broadly, GraphPFN shows the potential of PFN-based models for building graph foundation models.

General Machine Learning · Sequential, Network, and Time Series Modeling

Dimitra Maoutsa

How can we learn the laws underlying the dynamics of stochastic systems when their trajectories are sampled sparsely in time? Existing methods either require temporally resolved high-frequency observations, or rely on geometric arguments that apply only to conservative systems, limiting the range of dynamics they can recover. Here, we present a new framework that reconciles these two perspectives by reformulating inference as a stochastic control problem. Our method uses geometry-driven path augmentation, guided by structure in the system’s invariant density to reconstruct likely trajectories and infer the underlying dynamics without assuming specific parametric models. Applied to overdamped Langevin systems, our approach accurately recovers stochastic dynamics even from severely undersampled data, outperforming existing methods in synthetic benchmarks. This work demonstrates the effectiveness of incorporating geometric inductive biases into stochastic system identification methods, with broad applications across physics, biology, and control.

Deep Learning · Large Language Models

Ziwen Zhao, Menglin Yang

Retrieval-augmented generation (RAG) enhances large language models with external knowledge, and tree-based RAG organizes documents into hierarchical indexes to support queries at multiple granularities. However, existing Tree-RAG methods designed for single-document retrieval face critical challenges in scaling to cross-document multi-hop questions: *(1) poor distribution adaptability*, where $k$-means clustering introduces noise due to rigid distribution assumptions; *(2) structural isolation*, as tree indexes lack explicit cross-document connections; and *(3) coarse abstraction*, which obscures fine-grained details. To address these limitations, we propose **$\Psi$-RAG**, a tree-RAG framework with two key components. *First*, a hierarchical abstract tree index built through an iterative "merging and collapse" process that adapts to data distributions without a priori assumption. *Second*, a multi-granular retrieval agent that intelligently interacts with the knowledge base with reorganized queries and an agent-powered hybrid retriever. $\Psi$-RAG supports diverse tasks from token-level question answering to document-level summarization. On cross-document multi-hop QA benchmarks, it outperforms RAPTOR by 25.9\% and HippoRAG 2 by 7.4\% in average F1 score. Code is available at https://anonymous.4open.science/r/Psi-RAG-7831/.

Probabilistic Methods · Monte Carlo and Sampling Methods

Panagiotis Theodoropoulos, Juno Nam, Evangelos Theodorou, Jaemoo Choi

Transportation on graphs is a fundamental challenge across many domains, where decisions must respect topological and operational constraints. Despite the need for actionable policies, existing graph-transport methods lack this expressivity. They rely on restrictive assumptions, fail to generalize across sparse topologies, and scale poorly with graph size and time horizon. To address these issues, we introduce Generalized Schrödinger Bridge on Graphs (GSBoG), a novel scalable data-driven framework for learning executable controlled continuous-time Markov chain (CTMC) policies on arbitrary graphs under state cost augmented dynamics. Notably, GSBoG learns trajectory-level policies, avoiding dense global solvers and thereby enhancing scalability. This is achieved via a likelihood optimization approach, satisfying the endpoint marginals, while simultaneously optimizing intermediate behavior under state-dependent running costs. Extensive experimentation on challenging real-world graph topologies shows that GSBoG reliably learns accurate, topology-respecting policies while optimizing application-specific intermediate state costs, highlighting its broad applicability and paving new avenues for cost-aware dynamical transport on general graphs.