论文检索

Applications · Chemistry, Physics, and Earth Sciences

Haozhe Jia, Pengyu Yin, Wenshuo Chen, Shaofeng Liang, Lei Wang, Bowen Tian, Xiucheng Wang, Jia Nanqian, Yutao Yue

Physics-informed diffusion models typically impose PDE constraints only on the final output, leaving intermediate features unconstrained. This can enable shortcut solutions that fit training statistics yet generalize poorly under shifted boundary conditions. We introduce \textbf{REPA-P}, a \emph{teacher-free} physics-informed representation alignment framework that uses first-principles residuals as supervision. REPA-P attaches lightweight projection heads to a few early/mid layers of a diffusion backbone, decodes hidden activations into physical states, and applies PDE and boundary-condition residual losses to these intermediate predictions during training. The heads are discarded at inference, preserving the original architecture and sampling cost. Across three 2D scientific field benchmarks (Darcy flow, topology optimization, and Electrostatic Charge Potential), REPA-P accelerates convergence, reduces physics residuals by up to 80\%, and improves out-of-distribution robustness to boundary-condition shifts while maintaining generation quality with zero inference overhead. Ablations show that supervising only a small set of intermediate layers captures most gains and complements output-level physics losses.

Deep Learning · Large Language Models

Xianjie Liu, Yiman Hu, Liang Wu, Ping Hu, Yixiong Zou, Jian Xu, Bo Zheng

E-commerce short videos represent a high-revenue segment of the online video industry characterized by a goal-driven format and dense multi-modal signals. Current models often struggle with these videos because existing benchmarks focus primarily on general-purpose tasks and neglect the reasoning of commercial intent. In this work, we first propose a **multi-modal information density assessment framework** to quantify the complexity of this domain. Our evaluation reveals that e-commerce content exhibits substantially higher density across visual, audio, and textual modalities compared to mainstream datasets, establishing a more challenging frontier for video understanding. To address this gap, we introduce **E-commerce Video Ads Benchmark (E-VAds)**, which is the first benchmark specifically designed for e-commerce short video understanding. We curated 3,961 high-quality videos from Taobao covering a wide range of product categories and used a multi-agent system to generate 19,785 open-ended Q\&A pairs. These questions are organized into two primary dimensions, namely Perception and Cognition and Reasoning, which consist of five distinct tasks. Finally, we develop **E-VAds-R1**, an RL-based reasoning model featuring a multi-grained reward design called **MG-GRPO**. This strategy provides smooth guidance for early exploration while creating a non-linear incentive for expert-level precision. Experimental results demonstrate that E-VAds-R1 achieves a 109.2\% performance gain in commercial intent reasoning with only a few hundred training samples.

General Machine Learning · Evaluation

Takashi Ishida, Thanawat Lodkaew, Ikko Yamane

Publishing a large language model (LLM) benchmark (especially its ground-truth answers) on the Internet risks contaminating future LLMs and enabling evaluation gaming: it may be unintentionally (or intentionally) used to train or select a model, or exploited to overfit and hack leaderboards when labels are accessible. A common mitigation is to keep the benchmark private and let participants submit their models or predictions to the organizers, but this still permits test-set overfitting through feedback loops. To overcome this issue, we propose a way to publish benchmarks without completely disclosing the ground-truth answers to the questions, while still maintaining the ability to openly evaluate LLMs. The main underlying idea is to reduce the best possible accuracy, i.e., Bayes accuracy, by injecting randomness to the answers by preparing several logically correct answers, and only include one of them as the solution in the benchmark. Not only is this helpful to keep us from disclosing the ground truth, but this also offers a test for detecting contamination. In principle, even fully capable models should not surpass the Bayes accuracy. If a model surpasses this ceiling despite this expectation, this is a strong signal of leakage or gaming. We present theoretical and experimental evidence that our method can accurately detect data contamination or hacking on a wide range of benchmarks, models, training methodologies, and scenarios including feedback loops.

Deep Learning · Generative Models and Autoencoders

Feifan Jiang, Yinan Bu, Shihao Wu, Gongjun Xu, Ji Zhu

Network data are ubiquitous across the social sciences, biology, and information systems. Generating realistic synthetic network data has broad applications from network simulation to scientific discovery. However, many existing black-box approaches for network generation tend to overfit observed data while overlooking characteristic network structure, and incur substantial computational overhead at scale. These practical challenges call for synthetic network generation methods that are both efficient and capable of capturing structural properties of networks. In this paper, we introduce Synthetic Network Generation via Latent Embedding Reconstruction (SyNGLER), a general and efficient framework for synthetic network generation that builds on latent space network models. Given an observed network, SyNGLER first learns low-dimensional latent node embeddings via a latent space network model and then reconstructs the latent space by building a distribution-free generator over these embeddings. For generation, SyNGLER first samples (or resamples) node embeddings from the generator in the latent space and then produces synthetic networks using the latent space network model. Through the latent space framework, SyNGLER preserves unique characteristics in networks such as sparsity and node degree heterogeneity, while allowing for efficient training with lower computational cost than many existing deep architectures. We provide theoretical guarantees by developing consistency results regarding the distance between the true and synthetic edge distributions. Empirical studies further demonstrate the effectiveness of SyNGLER, where SyNGLER efficiently produces networks that better preserve key network characteristics such as network moments and degree distributions compared with existing approaches.

Applications · Computer Vision

Yunze Tong, Mushui Liu, Canyu Zhao, Wanggui He, Shiyi Zhang, Peng Zhang, Hongwei Zhang, Jinlong Liu, Hao Jiang

Deploying GRPO on Flow Matching models has proven effective for text-to-image generation. However, existing paradigms typically propagate an outcome-based reward to all preceding denoising steps without distinguishing the local effect of each step. Moreover, current group-wise ranking mainly compares trajectories at matched timesteps and ignores within-trajectory dependencies, where certain early denoising actions can affect later states via delayed, implicit interactions. We propose TurningPoint-GRPO (TP-GRPO), a GRPO framework that alleviates step-wise reward sparsity and explicitly models long-term effects within the denoising trajectory. TP-GRPO makes two key innovations: (i) it replaces outcome-based rewards with step-level incremental rewards, providing a dense, step-aware learning signal that better isolates each denoising action’s ``pure" effect, and (ii) it identifies turning points—steps that flip the local reward trend and make subsequent reward evolution consistent with the overall trajectory trend—and assigns these actions an aggregated long-term reward to capture their delayed impact. Turning points are detected solely via sign changes in incremental rewards, making TP-GRPO efficient and hyperparameter-free. Extensive experiments also demonstrate that TP-GRPO exploits reward signals more effectively and consistently improves generation.

Deep Learning · Theory

Long HC Pham

Conditional flow matching has emerged as a powerful generative modeling framework that learns a vector field to transport an initial distribution toward a target data distribution. However, theoretical understanding of its out-of-distribution (OOD) performance under unseen conditions remains limited. In this work, we establish a rigorous geometric formulation to decompose the source of generalization error. We treat the conditional task as a map from the condition space to the Wasserstein space and derive a generalization bound under a coarse embedding assumption. The resulting decomposition separates OOD error into three tractable components: *Interpolation Sparsity*, *Geometric Distortion*, and *In-Distribution Fit*. Our empirical evaluation confirms that this framework demonstrates three key functions: (1) it acts as a diagnostic tool that tracks the dynamics of generalization during training; (2) it identifies dataset-specific failure modes (e.g., topological gaps, geometric instability); and (3) it enables mathematically motivated interventions that yield predictable gains by minimizing specific terms.

Applications · Health / Medicine

Guanghui Min, Tianhao Huang, Ke Wan, Qi Wang, Chen Chen

Reliable epidemic forecasting is critical for public health decision-making yet remains challenging due to data sparsity and the non-stationary nature of disease dynamics. While recent hybrid models attempt to integrate mechanistic principles with data-driven approaches, they often relegate mechanistic priors to merely auxiliary features or regularization terms. This design not only obscures the interpretability of the mechanistic contribution but also fails to inherit the capability of physical models to generalize under non-stationary dynamics, as the core architecture remains predominantly data-driven. To address these limitations, we propose EpiDiff, a unified framework that synergizes epidemiological domain knowledge with the generative power of diffusion models. Unlike methods that rigidly fuse features, EpiDiff employs a novel uncertainty-aware steering mechanism during inference. Specifically, we quantify the posterior uncertainty of mechanistic estimations and use it to dynamically modulate the diffusion process. Extensive experiments on real-world datasets demonstrate that EpiDiff consistently outperforms state-of-the-art baselines in accuracy and robustness, particularly under non-stationary distributions, while offering transparent insights into model reliance by explicitly visualizing when the forecast is governed by mechanistic laws versus data-driven patterns. Our code and datasets are available at https://anonymous.4open.science/r/epidiff-4782.

Applications · Health / Medicine

Zekuan Shang, Xiaosong Han, Liupu Wang, Wei Du, Peng Zhao, Yuanshu Li, Yubin Xiao, Xuan Wu, You Zhou

For denoising Spatially Resolved Transcriptomics (SRT) data, existing methods often construct spot and gene graphs to model inter-spot and inter-gene relationships, respectively. However, these methods often introduce spurious similarity biases among spots when constructing the spot graph and fail to capture nonlinear relationships among genes when constructing the gene graph. Moreover, ineffective graph fusion strategies further bottleneck denoising performance. To address these challenges, we propose SpaEF, which innovatively constructs spot and gene graphs with two Large Models (LMs) to inject prior knowledge for mitigating biases and capture nonlinear relationships, and then fuses them with the proposed element-wise graph autoencoder. As far as we know, SpaEF is the first SRT denoising method that utilizes pre-trained LMs to construct spot and gene graphs. Experiments on four real-world datasets with corresponding downstream tasks demonstrate that SpaEF not only outperforms SOTA denoising methods in accuracy but also exhibits strong robustness across tasks.

Applications · Time Series

Siru Zhong, Yiqiu Liu, Zhiqing Cui, Zezhi Shao, Fei Wang, Qingsong Wen, Yuxuan Liang

Deep time series models are vulnerable to noisy data ubiquitous in real-world applications. Existing robustness strategies either prune data or rely on costly prior quantification, failing to balance effectiveness and efficiency. In this paper, we introduce DropoutTS, a model-agnostic plugin that shifts the paradigm from "what" to learn to "how much" to learn. DropoutTS employs a Sample-Adaptive Dropout mechanism: leveraging spectral sparsity to efficiently quantify instance-level noise via reconstruction residuals, it dynamically calibrates model learning capacity by mapping noise to adaptive dropout rates—selectively suppressing spurious fluctuations while preserving fine-grained fidelity. Extensive experiments across diverse noise regimes and open benchmarks show DropoutTS consistently boosts superior backbones’ performance, delivering advanced robustness with negligible parameter overhead and no architectural modifications. Our code is available at https://anonymous.4open.science/r/DropoutTS/.

General Machine Learning · Everything Else

Zeyu Fang, Mahdi Imani, Tian Lan

Joint planning through language-based interactions is a key area of human-AI teaming. Planning problems in the open world often involve various aspects of incomplete information and unknowns, e.g., objects involved, human goals/intents -- thus leading to knowledge gaps in joint planning. We consider the problem of discovering optimal interaction strategies for AI agents to actively elicit human inputs in object-driven planning. To this end, we propose Minimal Information Neuro-Symbolic Tree (MINT) to reason about the impact of knowledge gaps and leverage self-play with MINT to optimize the AI agent’s elicitation strategies and queries. More precisely, MINT builds a symbolic tree by making propositions of possible human-AI interactions and by consulting a neural planning policy to estimate the uncertainty in planning outcomes caused by remaining knowledge gaps. Finally, we leverage LLM to search and summarize MINT’s reasoning process and curate a set of queries to optimally elicit human inputs for best planning performance. By considering a family of extended Markov decision processes with knowledge gaps, we analyze the return guarantee for a given MINT with active human elicitation. Our evaluation on three benchmarks involving unseen/unknown objects of increasing realism shows that MINT-based planning attains near-expert returns by issuing a limited number of questions per task while achieving significantly improved rewards and success rates.

Ziming Liu, Surya Ganguli, Andreas Tolias

Vafa et al. recently showed that a transformer fails to acquire an internal Newtonian world model when trained on synthetic planetary-motion data. How can we fix this problem? We find that inductive biases are key to learning the veridical world model: (1) **Spatial smoothness** is required for any world model to be learned. However, naive tokenization may disrupt smoothness since two close points in physical space may be far apart in token embedding space without sufficient training or data. We fix this by formulating the prediction problem as regression instead of classification. (2) **Spatial stability** makes the prediction robust to noise, which is not guaranteed by default, but can be taught via correcting in-context noise perturbations. (3) With both spatial smoothness and stability built in, further imposing **temporal locality** induces a Newtonian world model, while the lack of this knowledge induces a Keplerian world model -- fitting elliptical parameters instead of computing gravitational forces. Our results suggest that even simple general inductive biases are powerful enough to induce correct and specific world models. The inductive biases do not need to know that much about the underlying law to be learned, but without them, it is impossible to learn.

General Machine Learning · Transfer, Multitask and Meta-learning

Yuan Yao, Jin Song, Huixia Li, Tongtong Yuan, Jiaqi Wu, Yu Zhang

Transfer learning aims to facilitate the learning of a target domain by transferring knowledge from a source domain. The source domain typically contains semantically meaningful samples (*e.g.*, images) to facilitate effective knowledge transfer. However, a recent study observes that the noise domain constructed from simple distributions (*e.g.*, Gaussian distributions) can serve as a surrogate source domain in the semi-supervised setting, where only a small proportion of target samples are labeled while most remain unlabeled. Based on this surprising observation, we formulate a novel problem termed *Semi-Supervised Noise Adaptation* (SSNA), which aims to leverage a synthetic noise domain to improve the generalization of the target domain. To address this problem, we first establish a generalization bound characterizing the effect of the noise domain on generalization, based on which we propose a Noise Adaptation Framework (NAF). Extensive experiments demonstrate that NAF effectively leverages the noise domain to tighten the generalization bound of the target domain, leading to improved performance. The codes are available at https://anonymous.4open.science/r/SSNA.

General Machine Learning · Transfer, Multitask and Meta-learning

Pengfei Wei, Yiqun Sun, Zhiqiang Xu, Yiping Ke, Lawrence Hsieh

Unsupervised video domain adaptation (UVDA) is a practical but under-explored problem. In this paper, we propose a frustratingly easy UVDA method, called \emph{MetaTrans}. Specifically, \emph{MetaTrans} adopts a concise learning objective that contains only two fundamental loss terms. Despite the simplicity of the learning objective, \emph{MetaTrans} embodies an advanced UVDA idea, that is, handling the spatial and temporal divergence of cross-domain videos separately, through a subtle model architecture design. By implementing a temporal-static subtraction module, \emph{MetaTrans} effectively removes spatial and temporal divergence. Extensive empirical evaluations, particularly on various cross-domain action recognition tasks, show substantial absolute adaptation performance enhancement and significantly superior relative performance gain compared with state-of-the-art UVDA baselines.

Deep Learning · Large Language Models

Bowen Tian, Caixue He, Jiemin Wu, Jingying Wang, Wenshuo Chen, Zexi Li, Yutao Yue

Editing complex, long-form knowledge in Large Language Models remains a significant challenge due to the difficulty of maintaining generation coherence. Existing autoregressive methods like AnyEdit alleviate length constraints but rely on Fixed-window Chunking, which disregards logical structure and compromises consistency. To address this, we present AnyEdit++, a structure-aware framework incorporating Bayes-Chunk, an adaptive segmentation mechanism that dynamically identifies semantic boundaries based on Bayesian Surprise. We underpin this approach with a theoretical framework establishing two key principles: (1) Structural Independence: we prove that cross-segment interference is minimized when anchor keys are geometrically orthogonal (a condition naturally satisfied by our surprisal-based boundaries but violated by fixed windows), and (2) Causal Locality: we demonstrate that updates injected at these semantic peaks yield strictly superior control compared to arbitrary split points. Extensive experiments across mathematical reasoning, code generation, and narrative tasks demonstrate that AnyEdit++ achieves superior performance and robustness compared to state-of-the-art baselines, validating that structural awareness is critical for effective long-form knowledge editing.

Deep Learning · Robustness

Joy Dhar, Manish Pandey, Behzad Bozorgtabar, Nayyar Zaidi, Wenyu Zhang, Weihong Li, Tingting Mu, Dwarikanath Mahapatra, Mahsa Baktashmotlagh, Trung Le 等

We introduce Hybrid Space-aware Stochastic Convolution Attention Noise (HySCAN), a hybrid randomized defense that helps close the long-standing gap between provable robustness under ℓ2 certificates and empirical robustness against strong ℓ∞ attacks, while maintaining strong generalization across diverse imaging benchmarks. HySCAN jointly explores complementary sources of stochasticity at both training and inference: (i) implicit weight-space randomness via stochastic-aware Random Weights, and (ii) explicit feature-space randomness via Stochastic Attention Noise Injection modules. By incorporating randomness at both the parameter and representation levels, HySCAN enables meaningful certified guarantees while improving empirical robustness in practice. Comprehensive experiments on diverse imaging datasets, e.g., CelebA, CIFAR-10, and CIFAR-100, ImageNet-1k, HAM10000, and NIH Chest X-ray, demonstrate that HySCAN outperforms existing certified and empirical defenses, improving certified robustness by up to ≈ 9.6% and empirical robustness by up to ≈ 5% without reducing clean accuracy.

Applications · Health / Medicine

Evgeny S. Saveliev, Samuel Holt, Nabeel Seedat, David Bentley, Jim Weatherall, Mihaela van der Schaar

Large Language Models (LLMs) offer a promising avenue for scientific discovery, yet their application to symbolic regression is often constrained by inefficient search strategies and coarse feedback signals. Current methods typically guide LLMs using scalar metrics (e.g., global Mean Squared Error), which fail to identify which specific components of a proposed equation are driving performance or causing error. We introduce \textit{Influence-Guided Symbolic Regression} (IGSR), a method that frames equation discovery as an iterative two-step process combining diverse term generation with rigorous selection: an LLM generates candidate basis functions $\psi_j(\mathbf{x})$ for a linear model, which are then evaluated using granular influence scores $\Delta_j$. These scores quantify each term's marginal contribution to generalization accuracy, enabling an influence-guided pruning process that systematically refines the model structure. Integrating this mechanism into a Monte Carlo Tree Search (MCTS) enables navigating the combinatorial search space while balancing exploration of novel functional forms with exploitation of high-influence components. We demonstrate IGSR's effectiveness across a diverse suite of benchmarks, including LLM-SRBench, pharmacological PKPD models, an epidemiological simulation, and real-world genomic data. Notably, we validate the framework's capacity for genuine discovery in a case study using a high-dimensional biological dataset, in which IGSR identified a novel relationship between DNA methylation and RNA Polymerase II pausing; a hypothesis that was subsequently supported via wet-lab experimentation.

Deep Learning · Large Language Models

Li Lin, Xinyu Hu, Xiaojun Wan

Large language models (LLMs) achieve impressive performance across domains but face significant challenges when deployed on consumer-grade GPUs or personal devices such as laptops, due to high memory consumption and inference costs. Post-training quantization (PTQ) of LLMs offers a promising solution that reduces their memory footprint and decoding latency. In practice, PTQ with uniform quantization representation is favored due to its efficiency and ease of deployment, as uniform quantization is widely supported by mainstream hardware and software libraries. Recent studies on low-bit uniform quantization have led to noticeable improvements in post-quantization model performance; however, they mainly focus on quantization methodologies, while the initialization of quantization parameters remains underexplored and still relies on the conventional *Min-Max formula*. In this work, we identify the limitations of the *Min-Max formula*, move beyond its constraints, and propose **NeUQI**, a method that efficiently determines near-optimal initialization for uniform quantization. Our NeUQI simplifies the joint optimization of the scale and zero-point by deriving the zero-point for a given scale, thereby reducing the problem to a scale-only optimization. Benefiting from the improved quantization parameters, our NeUQI consistently outperforms existing methods in the experiments with the LLaMA and Qwen families on various settings and tasks. Furthermore, when combined with a lightweight distillation strategy, NeUQI even achieves superior performance to PV-tuning, a considerably more resource-intensive method.

Social Aspects · Safety

Liu Yu, Can Chen, PING KUANG, Zhikun Feng, Fan Zhou, Gillian Dobbie

Large Vision-Language Models (LVLMs) exhibit sophisticated reasoning but remain susceptible to object hallucination. Deviating from the prevailing attention intensity assumption, we reveal a deeper dynamic structural misalignment: hallucination is triggered at decision-critical steps where specific attention heads, acting as risky mediators, decouple from visual evidence to lock onto language priors. This establishes a pathological shortcut that bypasses visual grounding. To dismantle this, we propose Fox (Faithfulness and Observational-flow via eXpression-rectification), a training-free inference-time framework. Fox diagnoses structural misalignment using a visual attention entropy probe to localize risky mediators unsupervisedly. We then execute a targeted causal intervention via numerical logit saturation to physically sever the shortcut path. Finally, a conflict-gated cooperative decoding strategy reconciles interventional faithfulness with observational fluency. Extensive experiments demonstrate that Fox achieves SOTA performance, outperforming SID by 29.1% while preserving linguistic richness and general reasoning capabilities.

Deep Learning · Large Language Models

Xinrong Li, Zidong Zhou, Keyu Shen, Wenhao Zhou, Shangqi Guo

Best-of-N selection improves reasoning in large language models (LLMs) by allocating additional test-time compute to sample multiple candidate trajectories, but it fundamentally relies on reliable verification. However, widely used proxies based on logit confidence or sample agreement can suffer from calibration collapse, where confidence becomes misaligned with correctness. Instead, we move beyond output-level signals and analyze the model's latent dynamics during inference. Drawing from cognitive neuroscience, we hypothesize that effective reasoning exhibits \textit{metastability}—a balance between stability and flexibility manifested as structured ``dwell-and-jump'' dynamics. We introduce Latent Velocity Entropy (LVE), a training-free metric that quantifies these dynamics via the entropy of internal representation updates. Extensive experiments on four reasoning benchmarks (AIME, GPQA, MATH, Brumo) demonstrate that the metric mitigates calibration collapse and consistently outperforms leading logit-based baselines. It surpasses the state-of-the-art baseline (UID) by 1.6\% and majority voting by 4.0\% in average accuracy. Remarkably, our method matches the performance of 10-sample majority voting using only 3 samples—a 70\% reduction in inference cost.

Reinforcement Learning · Batch/Offline

Yuxiao Yang, Weitong Zhang

Conditioned Sequence Models (CSMs) learn policies by treating return-to-go (RTG) as a control signal. However, existing CSMs often treat the RTGs as simple numerical inputs rather than aligning them with the performance of their policies. In this paper, we propose Q-ALIGN DT, a framework that enforces this alignment by ensuring the $Q$-value of the output policy is consistent with the input RTG. By leveraging a $Q$ function to provide dense guidance to CSMs and further fine-tuning it using an *RTG-perturbation* technique with the CSM, our method ensures that higher RTGs are consistently mapped to trajectories with higher expected returns. Theoretically, we show that Q-ALIGN DT can efficiently learn the desired policy and output a near-optimal one when the RTG is sufficiently high. Empirically, we demonstrate through extensive experiments that \methodname{} achieves superior controllability and performance across the D4RL benchmark. Remarkably, our model effectively learns a structured family of policies that maintains precise alignment and generalizes to tasks like velocity-tracking where prior methods fail.