论文检索

Deep Learning · Graph Neural Networks

Dongwon Choi, Sunwoo Kim, Juyeon Kim, Kyungho Kim, Geon Lee, Shinhwan Kang, Myunghwan Kim, Kijung Shin

Recent advances have demonstrated the effectiveness of graph-based machine learning on relational databases (RDBs) for predictive tasks. Such approaches require transforming RDBs into graphs, a process we refer to as RDB-to-graph modeling, where rows of tables are represented as nodes and foreign-key relationships as edges.Yet, effective modeling of RDBs into graphs remains challenging.Specifically, there exist numerous ways to model RDBs into graphs, and performance on predictive tasks varies significantly depending on the chosen graph model of RDBs.In our analysis, we find that the best-performing graph model can yield up to a 10\% higher performance compared to the common heuristic rule for graph modeling, which remains non-trivial to identify.To foster research on intelligent RDB-to-graph modeling, we introduce RDB2G-Bench, the first benchmark framework for evaluating such methods.We construct extensive datasets covering 5 real-world RDBs and 12 predictive tasks, resulting in around 50k graph model–performance pairs for efficient and reproducible evaluations.Thanks to our precomputed datasets, we were able to benchmark 10 automatic RDB-to-graph modeling methods on the $12$ tasks about 380$\times$ faster than on-the-fly evaluation, which requires repeated GNN training.Our analysis of the datasets and benchmark results reveals key structural patterns affecting graph model effectiveness, along with practical implications for effective graph modeling.Our datasets and code are available at https://github.com/chlehdwon/RDB2G-Bench.

Computer Vision · 3D Rendering & Reconstruction

Mengjiao Ma, Qi Ma, Yue Li, Jiahuan Cheng, Runyi Yang, Bin Ren, Nikola Popovic, Mingqiang Wei, Nicu Sebe, Ender Konukoglu 等

3D Gaussian Splatting (3DGS) serves as a highly performant and efficient encoding of scene geometry, appearance, and semantics. Moreover, grounding language in 3D scenes has proven to be an effective strategy for 3D scene understanding. Current Language Gaussian Splatting line of work fall into three main groups: (i) per-scene optimization-based, (ii) per-scene optimization-free, and (iii) generalizable approach. However, most of them are evaluated only on rendered 2D views of a handful of scenes and viewpoints close to the training views, limiting ability and insight into holistic 3D understanding. To address this gap, we propose the first large-scale benchmark that systematically assesses these three groups of methods directly in 3D space, evaluating on 1060 scenes across three indoor datasets and one outdoor dataset. Benchmark results demonstrate a clear advantage of the generalizable paradigm, particularly in relaxing the scene-specific limitation, enabling fast feed-forward inference on novel scenes, and achieving superior segmentation performance. We further introduce SceneSplat-49K -- a carefully curated 3DGS dataset comprising of around 49K diverse indoor and outdoor scenes trained from multiple sources, with which we demonstrate generalizable approach could harness strong data priors. Our codes, benchmark, and datasets are available.

Deep Learning · Everything Else

Alper KALLE, Théo Rudkiewicz, Mohamed Ouerfelli, Mohamed Tamaazousti

Neural networks are widely used for image–related tasks but typically demand considerable computing power. Once a network has been trained, however, its memory‑ and compute‑footprint can be reduced by compression. In this work, we focus on compression through tensorization and low‑rank representations. Whereas classical approaches search for a low‑rank approximation by minimizing an isotropic norm such as the Frobenius norm in weight‑space, we use data‑informed norms that measure the error in function space. Concretely, we minimize the change in the layer’s output distribution, which can be expressed as $\lVert (W - \widetilde{W}) \Sigma^{1/2}\rVert_F$ where $\Sigma^{1/2}$ is the square root of the covariance matrix of the layer’s input and $W$, $\widetilde{W}$ are the original and compressed weights. We propose new alternating least square algorithms for the two most common tensor decompositions (Tucker‑2 and CPD) that directly optimize the new norm. Unlike conventional compression pipelines, which almost always require post‑compression fine‑tuning, our data‑informed approach often achieves competitive accuracy without any fine‑tuning. We further show that the same covariance‑based norm can be transferred from one dataset to another with only a minor accuracy drop, enabling compression even when the original training dataset is unavailable. Experiments on several CNN architectures (ResNet‑18/50, and GoogLeNet) and datasets (ImageNet, FGVC‑Aircraft, Cifar10, and Cifar100) confirm the advantages of the proposed method.

Applications · Health

Xiaotang Gai, Jiaxiang Liu, Yichen Li, Zijie Meng, Jian Wu, Zuozhu Liu

Medical Visual Question Answering (Med-VQA) holds significant potential for clinical decision support, yet existing efforts primarily focus on 2D imaging with limited task diversity. This paper presents 3D-RAD, a large-scale dataset designed to advance 3D Med-VQA using radiology CT scans. The 3D-RAD dataset encompasses six diverse VQA tasks: anomaly detection, image observation, medical computation, existence detection, static temporal diagnosis, and longitudinal temporal diagnosis. It supports both open- and closed-ended questions while introducing complex reasoning challenges, including computational tasks and multi-stage temporal analysis, to enable comprehensive benchmarking. Extensive evaluations demonstrate that existing vision-language models (VLMs), especially medical VLMs exhibit limited generalization, particularly in multi-temporal tasks, underscoring the challenges of real-world 3D diagnostic reasoning. To drive future advancements, we release a high-quality training set 3D-RAD-T of 136,195 expert-aligned samples, showing that fine-tuning on this dataset could significantly enhance model performance. Our dataset and code, aiming to catalyze multimodal medical AI research and establish a robust foundation for 3D medical visual understanding, are publicly available.

Ziliang Chen, Yongsen Zheng, Zhao-Rong Lai, Zhanfu Yang, Cuixi Li, Yang Liu, Liang Lin

Instruction-Tuning (IT) was recently found the impressive data efficiency in post-training large language models (LLMs). While the pursuit of efficiency predominantly focuses on sequence-level curation, often overlooking the nuanced impact of critical tokens and the inherent risks of token noise and biases. Drawing inspiration from bi-level coreset selection, our work provides the principled view of the motivation behind selecting instructions' responses. It leads to our approach Quadratic Coreset Selection (QCS) that reconciles sequence-level and token-level influence contributions, deriving more expressive LLMs with established theoretical result. Despite the original QCS framework challenged by prohibitive computation from inverted LLM-scale Hessian matrices, we overcome this barrier by proposing a novel QCS probabilistic variant, which relaxes the original formulation through re-parameterized densities. This innovative solver is efficiently learned using hierarchical policy gradients without requiring back-propagation, achieving provable convergence and certified asymptotic equivalence to the original objective. Our experiments demonstrate QCS's superior sequence-level data efficiency and reveal how strategically leveraging token-level influence elevates the performance ceiling of data-efficient IT. Furthermore, QCS's adaptability is showcased through its successes in regular IT and challenging targeted IT scenarios, particularly in the cases of free-form complex instruction-following and CoT reasoning. They underscore QCS's potential for a wide array of versatile post-training applications.

Computer Vision · Vision Models & Multimodal

Yizhi Li, Ge Zhang, Yinghao Ma, Ruibin Yuan, Zhu, Hangyu Guo, Yiming Liang, Jiaheng Liu, Noah Wang, Jian Yang 等

Recent advancements in multimodal large language models (MLLMs) have focused on integrating multiple modalities, yet their ability to simultaneously process and reason across different inputs remains underexplored. We introduce OmniBench, a novel benchmark designed to evaluate models’ ability to recognize, interpret, and reason across visual, acoustic, and textual inputs simultaneously. We define language models capable of such tri-modal processing as omni-language models (OLMs). OmniBench features high-quality human annotations that require integrated understanding across all modalities. Our evaluation reveals that: i) open-source OLMs show significant limitations in instruction-following and reasoning in tri-modal contexts; and ii) most baseline models perform poorly (below 50% accuracy) even with textual alternatives to image/audio inputs. To address these limitations, we develop OmniInstruct, an 96K-sample instruction tuning dataset for training OLMs. We advocate for developing more robust tri-modal integration techniques and training strategies to enhance OLM performance. Codes and data could be found at https://m-a-p.ai/OmniBench/.

Applications · Chemistry and Drug Discovery

Yihang Zhou, Chen Wei, Minghao Sun, Jin Song, Yang Li, Lin Wang, Yang Zhang

Understanding the conformational landscape of proteins is essential for elucidating protein function and facilitating drug design. However, existing protein conformation benchmarks fail to capture the full energy landscape, limiting their ability to evaluate the diversity and physical plausibility of AI-generated structures. We introduce ProteinConformers, a large-scale benchmark dataset comprising over 381,000 physically realistic conformations for 87 CASP targets. These were derived from more than 40,000 structural decoys via extensive all-atom molecular dynamics simulations totaling over 6 million CPU hours. Using this dataset, we propose novel metrics to evaluate conformational diversity and plausibility, and systematically benchmark six protein conformation generative models. Our results highlight that leveraging large-scale protein sequence data can enhance a model’s ability to explore conformational space, potentially reducing reliance on MD-derived data. Additionally, we find that PDB and MD datasets influence model performance differently, current models perform well on inter-atomic distance prediction but struggle with inter-residue orientation generation. Overall, our dataset, evaluation metrics, and benchmarking results provide the first comprehensive foundation for assessing generative models in protein conformational modeling. Dataset and instructions are available at https://huggingface.co/ datasets/Jim990908/ProteinConformers/tree/main. Codes are stored at https://github.com/auroua/ProteinConformers. An interactive website locates at https://zhanggroup.org/ProteinConformers.

Social Aspects · Fairness, Equity, Justice and Safety

Junhao Xia, Haotian Zhu, Shuchao Pang, Zhigang Lu, Bing Li, Yongbin Zhou, Minhui Xue

Large Vision-Language Models (LVLMs) have demonstrated impressive capabilities in tasks requiring multimodal understanding. However, recent studies indicate that LVLMs are more vulnerable than LLMs to unsafe inputs and prone to generating harmful content. Existing defense strategies primarily include fine-tuning, input sanitization, and output intervention. Although these approaches provide a certain level of protection, they tend to be resource-intensive and struggle to effectively counter sophisticated attack techniques. To tackle such issues, we propose One-head Defense (Oh Defense), a novel yet simple approach utilizing LVLMs' internal safety capabilities. Through systematic analysis of the attention mechanisms, we discover that LVLMs' safety capabilities are concentrated within specific attention heads that respond differently to safe or unsafe inputs. Further exploration reveals that a single critical attention head can effectively serve as a safety guard, providing a strong discriminative signal that amplifies the model's inherent safety capabilities. Hence, the Oh Defense requires no additional training or external modules, making it computationally efficient while effectively reactivating suppressed safety mechanisms. Extensive experiments across diverse LVLM architectures and unsafe datasets validate our approach, i.e., the Oh Defense achieves near-perfect defense success rates (> 98\%) for unsafe inputs while maintaining low false positive rates (< 5\%) for safe content. The source code is available at https://github.com/AIASLab/Oh-Defense.

Reinforcement Learning · Batch Offline

Nicolas Espinosa-Dice, Yiyi Zhang, Yiding Chen, Bradley Guo, Owen Oertell, Gokul Swamy, Kianté Brantley, Wen Sun

Diffusion and flow models have emerged as powerful generative approaches capable of modeling diverse and multimodal behavior. However, applying these models to offline RL remains challenging due to the iterative nature of their noise sampling processes, making policy optimization difficult. In this paper, we introduce Scalable Offline Reinforcement Learning (SORL), a new offline RL algorithm that leverages shortcut models – a novel class of generative models – to scale both training and inference. SORL's policy can capture complex data distributions and can be trained simply and efficiently in a one-stage training procedure. At test time, SORL supports both sequential and parallel inference scaling by using the learned Q-function as a verifier. We demonstrate that SORL achieves strong performance across a range of offline RL tasks and exhibits positive scaling behavior with increased test-time compute.

Social Aspects · Accountability, Transparency and Interpretability

Davin Hill, Brian Hill, Aria Masoomi, Vijay Nori, Robert Tillman, Jennifer Dy

Sequential deep learning models excel in domains with temporal or sequential dependencies, but their complexity necessitates post-hoc feature attribution methods for understanding their predictions. While existing techniques quantify feature importance, they inherently assume fixed feature ordering — conflating the effects of (1) feature values and (2) their positions within input sequences. To address this gap, we introduce OrdShap, a novel attribution method that disentangles these effects by quantifying how a model's predictions change in response to permuting feature position. We establish a game-theoretic connection between OrdShap and Sanchez-Bergantiños values, providing a theoretically grounded approach to position-sensitive attribution. Empirical results from health, natural language, and synthetic datasets highlight OrdShap's effectiveness in capturing feature value and feature position attributions, and provide deeper insight into model behavior.

Applications · Robotics

Xiaoyuan Cheng, Xiaohang Tang, Yiming Yang

Diffusion models have made significant strides in recent years, exhibiting strong generalization capabilities in planning and control tasks. However, most diffusion-based policies remain focused on reward maximization or cost minimization, often overlooking critical aspects of safety and stability. In this work, we propose Safe and Stable Diffusion ($S^2$Diff), a model-based framework that explores how diffusion models can ensure safety and stability from a Lyapunov perspective. We demonstrate that $S^2$Diff eliminates the reliance on both complex gradient-based solvers (e.g., quadratic programming, non-convex solvers) and control-affine structures, leading to globally valid control policies driven by the learned certificate functions. Additionally, we uncover intrinsic connections between diffusion sampling and almost Lyapunov theory, enabling the use of trajectory-level control policies to learn better certificate functions for safety and stability guarantees. To validate our approach, we conduct experiments on a wide variety of dynamical control systems, where $S^2$Diff consistently outperforms both certificate-based controllers and model-based diffusion baselines in terms of safety, stability, and overall control performance.

Computer Vision · Everything Else

Dongmin Choi, Sangbin Lee, EungGu Yun, Jonghyuk Baek, Frank Park

The performance of learning-based object detection algorithms, which attempt to both classify and locate objects within images, is determined largely by the quality of the annotated dataset used for training. Two types of labelling noises are prevalent: objects that are incorrectly classified (categorization noise) and inaccurate bounding boxes (localization noise); both noises typically occur together in large-scale datasets. In this paper we propose a distillation-based method to train object detectors that takes into account both categorization and localization noise. The key insight underpinning our method is that the early-learning phenomenon - in which models trained on noisy data with mixed clean and false labels tend to first fit to the clean data, and memorize the false labels later -- manifests earlier for localization noise than for categorization noise. We propose a method that uses models from the early-learning phase (before overfitting to noisy data occurs) as a teacher network. A plug-in module implementation compatible with general object detection architectures is developed, and its performance is validated against the state-of-the-art using PASCAL VOC, MS COCO and VinDr-CXR medical detection datasets.

Theory · Game Theory

Baiting Chen, Tong Zhu, Jiale Han, Lexin Li, Gang Li, Xiaowu Dai

Large Language Models (LLMs) have demonstrated strong generative capabilities but remain prone to inconsistencies and hallucinations. We introduce Peer Elicitation Games (PEG), a training-free, game-theoretic framework for aligning LLMs through a peer elicitation mechanism involving a generator and multiple discriminators instantiated from distinct base models. Discriminators interact in a peer evaluation setting, where utilities are computed using a determinant-based mutual information score that provably incentivizes truthful reporting without requiring ground-truth labels. We establish theoretical guarantees showing that each agent, via online learning, achieves sublinear regret in the sense their cumulative performance approaches that of the best fixed truthful strategy in hindsight. Moreover, we prove last-iterate convergence to a truthful Nash equilibrium, ensuring that the actual policies used by agents converge to stable and truthful behavior over time. Empirical evaluations across multiple benchmarks demonstrate significant improvements in factual accuracy. These results position PEG as a practical approach for eliciting truthful behavior from LLMs without supervision or fine-tuning.

General Machine Learning · Everything Else

Viet Nguyen, Changjian Shui, Vijay Giri, Siddharth Arya, Amol Verma, Fahad Razak, Rahul Krishnan

The distribution of data changes over time; models operating in dynamic environments need retraining. But knowing when to retrain, without access to labels, is an open challenge since some, but not all shifts degrade model performance. This paper formalizes and addresses the problem of post-deployment deterioration (PDD) monitoring. We propose D3M, a practical and efficient monitoring algorithm based on the disagreement of predictive models, achieving low false positive rates under non-deteriorating shifts and provides sample complexity bounds for high true positive rates under deteriorating shifts. Empirical results on both standard benchmark and a real-world large-scale internal medicine dataset demonstrate the effectiveness of the framework and highlight its viability as an alert mechanism for high-stakes machine learning pipelines.

General Machine Learning · Causality

Vahid Balazadeh, Hamidreza Kamkari, Valentin Thomas, Junwei Ma, Bingru Li, Jesse Cresswell, Rahul Krishnan

Causal effect estimation from observational data is fundamental across various applications. However, selecting an appropriate estimator from dozens of specialized methods demands substantial manual effort and domain expertise. We present CausalPFN, a single transformer that *amortizes* this workflow: trained once on a large library of simulated data-generating processes that satisfy ignorability, it infers causal effects for new observational datasets out of the box. CausalPFN combines ideas from Bayesian causal inference with the large-scale training protocol of prior-fitted networks (PFNs), learning to map raw observations directly to causal effects without any task-specific adjustment. Our approach achieves superior average performance on heterogeneous and average treatment effect estimation benchmarks (IHDP, Lalonde, ACIC). Moreover, it shows competitive performance for real-world policy making on uplift modeling tasks. CausalPFN provides calibrated uncertainty estimates to support reliable decision-making based on Bayesian principles. This ready-to-use model requires no further training or tuning and takes a step toward automated causal inference (https://github.com/vdblm/CausalPFN/).

Applications · Language, Speech and Dialog

Lisa Alazraki, Yi-Chern Tan, Jon Ander Campos, Maximilian Mozes, Marek Rei, Max Bartolo

The capabilities of Large Language Models (LLMs) are routinely evaluated by other LLMs trained to predict human preferences. This framework—known as *LLM-as-a-judge*—is highly scalable and relatively low cost. However, it is also vulnerable to malicious exploitation, as LLM responses can be tuned to overfit the preferences of the judge. Previous work shows that the answers generated by a candidate-LLM can be edited *post hoc* to maximise the score assigned to them by a judge-LLM. In this study, we adopt a different approach and use the signal provided by judge-LLMs as a reward to adversarially tune models that generate text preambles designed to boost downstream performance. We find that frozen LLMs pipelined with these models attain higher LLM-evaluation scores than existing frameworks. Crucially, unlike other frameworks which intervene directly on the model's response, our method is virtually undetectable. We also demonstrate that the effectiveness of the tuned preamble generator transfers when the candidate-LLM and the judge-LLM are replaced with models that are not used during training. These findings raise important questions about the design of more reliable LLM-as-a-judge evaluation settings. They also demonstrate that human preferences can be reverse engineered effectively, by pipelining LLMs to optimise upstream preambles via reinforcement learning—an approach that could find future applications in diverse tasks and domains beyond adversarial attacks.

Chen YAN, Weina Wang, Lei Ying

We study the finite-horizon Restless Multi-Armed Bandit (RMAB) problem with $N$ homogeneous arms. Prior work has shown that when an RMAB satisfies a non-degeneracy condition, Linear-Programming-based (LP-based) policies derived from the fluid approximation, which captures the mean dynamics of the system, achieve an exponentially small optimality gap. However, it is common for RMABs to be degenerate, in which case LP-based policies can result in a $\Theta(1/\sqrt{N})$ optimality gap per arm. In this paper, we propose a novel Stochastic-Programming-based (SP-based) policy that, under a uniqueness assumption, achieves an $\tilde{\mathcal{O}}(1/N)$ optimality gap for degenerate RMABs. Our approach is based on the construction of a Gaussian stochastic system that captures not only the mean but also the variance of the RMAB dynamics, resulting in a more accurate approximation than the fluid approximation. We then solve a stochastic program for this system to obtain our policy. This is the first result to establish an $\tilde{\mathcal{O}}(1/N)$ optimality gap for degenerate RMABs.

Applications · Language, Speech and Dialog

Catherine Arnett, Tyler Chang, Stella Biderman, Benjamin Bergen

The number of tokens it takes to encode parallel text in different languages is known to vary. These disparities are called *token premiums*. Having high token premiums leads to less throughput during training and increases costs at inference. In this paper, we show that even after controlling for dataset size, vocabulary size, and data content, monolingual tokenizers exhibit a wide range of token premiums across languages. To understand the cross-linguistic differences that cause these token premiums, we train a suite of approximately 7,000 comparable monolingual tokenizers for 97 languages, manipulating tokenization algorithm vocabulary size, and dataset size. We measure token premiums and test for a relationship between factors such as data similarity (between tokenizer training and evaluation), vocabulary size, and pre-tokenization. We also investigate the role of language-specific features such as writing system and word length. We find that similarity between training and test data does not impact token premiums, but vocabulary size and pre-tokenization do. While simply increasing vocabulary size does not lead to reduced token premium effects, we can determine an "optimal" vocabulary size for each language to achieve significantly reduced token premium effects. We also train superword tokenizers which allow merges over whitespaces, and we find that they both reduce token premium effects and improve compression overall. Thus, intervening on the vocabulary size or the pre-tokenizer significantly reduces crosslingual token premium effects.

Deep Learning · Everything Else

Andrew Wang, Elisa Nguyen, Runshi Yang, Juhan Bae, Sheila McIlraith, Roger Grosse

Training data attribution (TDA) provides insights into which training data is responsible for a learned model behavior. Gradient-based TDA methods such as influence functions and unrolled differentiation both involve a computation that resembles an inverse Hessian-vector product (iHVP), which is difficult to approximate efficiently. We introduce an algorithm (ASTRA) which uses the EKFAC-preconditioner on Neumann series iterations to arrive at an accurate iHVP approximation for TDA. ASTRA is easy to tune, requires fewer iterations than Neumann series iterations, and is more accurate than EKFAC-based approximations. Using ASTRA, we show that improving the accuracy of the iHVP approximation can significantly improve TDA performance.

Applications · Neuroscience, Cognitive Science

Ji Xia, Yizi Zhang, Shuqi Wang, Genevera Allen, Liam Paninski, Cole Hurwitz, Kenneth Miller

Characterizing interactions between brain areas is a fundamental goal of systems neuroscience. While such analyses are possible when areas are recorded simultaneously, it is rare to observe all combinations of areas of interest within a single animal or recording session. How can we leverage multi-animal datasets to better understand multi-area interactions? Building on recent progress in large-scale, multi-animal models, we introduce NeuroPaint, a masked autoencoding approach for inferring the dynamics of unobserved brain areas. By training across animals with overlapping subsets of recorded areas, NeuroPaint learns to reconstruct activity in missing areas based on shared structure across individuals. We train and evaluate our approach on both synthetic data and two multi-animal, multi-area Neuropixels datasets. Our results demonstrate that models trained across animals with partial observations can successfully in-paint the dynamics of unrecorded areas, enabling multi-area analyses that transcend the limitations of any single experiment.