论文检索

Deep Learning · Foundation Models

Zixiang Ai, Zichen Liu, Yuanhang Lei, Zhenyu Cui, Xu Zou, Jiahuan Zhou

Pre-trained 3D vision models have gained significant attention for their promising performance on point cloud data. However, fully fine-tuning these models for downstream tasks is computationally expensive and storage-intensive. Existing parameter-efficient fine-tuning (PEFT) approaches, which focus primarily on input token prompting, struggle to achieve competitive performance due to their limited ability to capture the geometric information inherent in point clouds. To address this challenge, we propose a novel Geometry-Aware Point Cloud Prompt (GAPrompt) that leverages geometric cues to enhance the adaptability of 3D vision models. First, we introduce a Point Prompt that serves as an auxiliary input alongside the original point cloud, explicitly guiding the model to capture fine-grained geometric details. Additionally, we present a Point Shift Prompter designed to extract global shape information from the point cloud, enabling instance-specific geometric adjustments at the input level. Moreover, our proposed Prompt Propagation mechanism incorporates the shape information into the model's feature extraction process, further strengthening its ability to capture essential geometric characteristics. Extensive experiments demonstrate that GAPrompt significantly outperforms state-of-the-art PEFT methods and achieves competitive results compared to full fine-tuning on various benchmarks, while utilizing only 2.19\% of trainable parameters.

Deep Learning · Sequential Models, Time series

Adrien Cortes, Remi Rehm, Victor Letzelter

We introduce $\texttt{TimeMCL}$, a method leveraging the Multiple Choice Learning (MCL) paradigm to forecast multiple plausible time series futures. Our approach employs a neural network with multiple heads and utilizes the Winner-Takes-All (WTA) loss to promote diversity among predictions. MCL has recently gained attention due to its simplicity and ability to address ill-posed and ambiguous tasks. We propose an adaptation of this framework for time-series forecasting, presenting it as an efficient method to predict diverse futures, which we relate to its implicit *quantization* objective. We provide insights into our approach using synthetic data and evaluate it on real-world time series, demonstrating its promising performance at a light computational cost.

Deep Learning · Large Language Models

Junjie Yao, zhongwang zhang, Zhi-Qin John Xu

Transformer-based Large Language Models (LLMs) have revolutionized Natural Language Processing by demonstrating exceptional performance across diverse tasks. This study investigates the impact of the parameter initialization scale on the training behavior and task preferences of LLMs. We discover that smaller initialization scales encourage models to favor reasoning tasks, whereas larger initialization scales lead to a preference for memorization tasks. We validate this reasoning bias via real datasets and meticulously designed anchor functions. Further analysis of initial training dynamics suggests that specific model components, particularly the embedding space and self-attention mechanisms, play pivotal roles in shaping these learning biases. We provide a theoretical framework from the perspective of model training dynamics to explain these phenomena. Additionally, experiments on real-world language tasks corroborate our theoretical insights. This work enhances our understanding of how initialization strategies influence LLM performance on reasoning tasks and offers valuable guidelines for training models.

Theory · Reinforcement Learning and Planning

Zeyu Jia, Alexander Rakhlin, Tengyang Xie

Process and outcome supervision represent two fundamental approaches to reinforcement learning, especially for complex reasoning tasks in large language models. While process supervision offers intuitive advantages for long-term credit assignment, the precise relationship between these paradigms has remained an open question. Conventional wisdom suggests that outcome supervision is fundamentally more challenging due to the trajectory-level coverage problem, leading to significant investment in collecting fine-grained process supervision data.In this paper, we provide a possible theoretical resolution to this debate. Perhaps surprisingly, our main theorem shows that: *under standard data coverage assumptions, reinforcement learning through outcome supervision is no more statistically difficult than through process supervision*. At the core of this result lies the novel *Change of Trajectory Measure Lemma*---a powerful technical tool that bridges return-based trajectory measure and step-level distribution shift. Furthermore, for settings with access to a verifier or a rollout capability, we prove that any policy's advantage function can serve as an optimal process reward model, providing a simple yet powerful connection between outcome and process supervision. These findings suggest that the empirically observed performance gap between outcome and process supervision likely stems from algorithmic limitations rather than inherent statistical difficulties, potentially transforming how we approach data and algorithm design for reinforcement learning.

Deep Learning · Graph Neural Networks

Weihuang Zheng, Jiashuo Liu, Jiaxing Li, Jiayun Wu, Peng Cui, Youyong Kong

Graph Neural Networks (GNNs) are widely used for node classification tasks but often fail to generalize when training and test nodes come from different distributions, limiting their practicality. To address this challenge, recent approaches have adopted invariant learning and sample reweighting techniques from the out-of-distribution (OOD) generalization field. However, invariant learning-based methods face difficulties when applied to graph data, as they rely on the impractical assumption of obtaining real environment labels and strict invariance, which may not hold in real-world graph structures. Moreover, current sample reweighting methods tend to overlook topological information, potentially leading to suboptimal results. In this work, we introduce the Topology-Aware Dynamic Reweighting (TAR) framework to address distribution shifts by leveraging the inherent graph structure. TAR dynamically adjusts sample weights through gradient flow on the graph edges during training. Instead of relying on strict invariance assumptions, we theoretically prove that our method is able to provide distributional robustness, thereby enhancing the out-of-distribution generalization performance on graph data. Our framework's superiority is demonstrated through standard testing on extensive node classification OOD datasets, exhibiting marked improvements over existing methods.

Deep Learning · Sequential Models, Time series

Yifan Hu, Guibin Zhang, Peiyuan Liu, Disen Lan, Naiqi Li, Dawei Cheng, Tao Dai, Shutao Xia, Shirui Pan

Time series forecasting methods generally fall into two main categories: Channel Independent (CI) and Channel Dependent (CD) strategies. While CI overlooks important covariate relationships, CD captures all dependencies without distinction, introducing noise and reducing generalization. Recent advances in Channel Clustering (CC) aim to refine dependency modeling by grouping channels with similar characteristics and applying tailored modeling techniques. However, coarse-grained clustering struggles to capture complex, time-varying interactions effectively. To address these challenges, we propose TimeFilter, a GNN-based framework for adaptive and fine-grained dependency modeling. After constructing the graph from the input sequence, TimeFilter refines the learned spatial-temporal dependencies by filtering out irrelevant correlations while preserving the most critical ones in a patch-specific manner. Extensive experiments on 13 real-world datasets from diverse application domains demonstrate the state-of-the-art performance of TimeFilter. The code is available at https://github.com/TROUBADOUR000/TimeFilter.

Deep Learning · Large Language Models

Runquan Gui, Zhihai Wang, Jie Wang, Chi Ma, Huiling Zhen, Mingxuan Yuan, Jianye Hao, Defu Lian, Enhong Chen, Feng Wu

Recent advancements have significantly enhanced the performance of large language models (LLMs) in tackling complex reasoning tasks, achieving notable success in domains like mathematical and logical reasoning.However, these methods encounter challenges with complex planning tasks, primarily due to extended reasoning steps, diverse constraints, and the challenge of handling multiple distinct sub-tasks.To address these challenges, we propose HyperTree Planning (HTP), a novel reasoning paradigm that constructs hypertree-structured planning outlines for effective planning.The hypertree structure enables LLMs to engage in hierarchical thinking by flexibly employing the divide-and-conquer strategy, effectively breaking down intricate reasoning steps, accommodating diverse constraints, and managing multiple distinct sub-tasks in a well-organized manner.We further introduce an autonomous planning framework that completes the planning process by iteratively refining and expanding the hypertree-structured planning outlines.Experiments demonstrate the effectiveness of HTP, achieving state-of-the-art accuracy on the TravelPlanner benchmark with Gemini-1.5-Pro, resulting in a 3.6$\times$ performance improvement over o1-preview.

Deep Learning · Graph Neural Networks

Shuo Wang, Bokui Wang, Zhixiang Shen, Boyan Deng, zhao kang

Recent advances in CV and NLP have inspired researchers to develop general-purpose graph foundation models through pre-training across diverse domains. However, a fundamental challenge arises from the substantial differences in graph topologies across domains. Additionally, real-world graphs are often sparse and prone to noisy connections and adversarial attacks. To address these issues, we propose the Multi-Domain Graph Foundation Model (MDGFM), a unified framework that aligns and leverages cross-domain topological information to facilitate robust knowledge transfer. MDGFM bridges different domains by adaptively balancing features and topology while refining original graphs to eliminate noise and align topological structures. To further enhance knowledge transfer, we introduce an efficient prompt-tuning approach. By aligning topologies, MDGFM not only improves multi-domain pre-training but also enables robust knowledge transfer to unseen domains. Theoretical analyses provide guarantees of MDGFM's effectiveness and domain generalization capabilities. Extensive experiments on both homophilic and heterophilic graph datasets validate the robustness and efficacy of our method.

Applications · Everything Else

Zhoufan Zhu, Ke Zhu

For researchers and practitioners in finance, finding synergistic formulaic alphas is very important but challenging. In this paper, we reconsider the discovery of synergistic formulaic alphas from the viewpoint of sequential decision-making, and conceptualize the entire alpha discovery process as a non-stationary and reward-sparse Markov decision process. To overcome the challenges of non-stationarity and reward-sparsity, we propose the AlphaQCM method, a novel distributional reinforcement learning method designed to search for synergistic formulaic alphas efficiently. The AlphaQCM method first learns the Q function and quantiles via a Q network and a quantile network, respectively. Then, the AlphaQCM method applies the quantiled conditional moment method to learn unbiased variance from the potentially biased quantiles. Guided by the learned Q function and variance, the AlphaQCM method navigates the non-stationarity and reward-sparsity to explore the vast search space of formulaic alphas with high efficacy. Empirical applications to real-world datasets demonstrate that our AlphaQCM method significantly outperforms its competitors, particularly when dealing with large datasets comprising numerous stocks.

Deep Learning · Large Language Models

Hjalmar Wijk, Tao Lin, Joel Becker, Sami Jawhar, Neev Parikh, Thomas Broadley, Lawrence Chan, Michael Chen, Joshua Clymer, Jai Dhyani 等

Frontier AI safety policies highlight automation of AI research and development (R&D) by AI agents as an important capability to anticipate. However, there exist few evaluations for AI R&D capabilities, and none that are highly realistic and have a direct comparison to human performance. We introduce RE-Bench (Research Engineering Benchmark, V1), which consists of 7 challenging, open-ended ML research engineering environments and data from 71 8-hour attempts by 61 distinct human experts. We confirm that our experts make progress in the environments given 8 hours, with 82% of expert attempts achieving a non-zero score and 24% matching or exceeding our strong reference solutions. We compare humans to several public frontier models through best-of-$k$ with varying time budgets and agent designs, and find that the best AI agents achieve a score 4× higher than human experts when both are given a total time budget of 2 hours per environment. However, humans currently display better returns to increasing time budgets, narrowly exceeding the top AI agent scores given an 8-hour budget, and achieving 2× the score of the top AI agent when both are given 32 total hours (across different attempts).

Deep Learning · Graph Neural Networks

Saman Forouzandeh, Parham Moradi, Mahdi Jalili

This paper proposes SHARP-Distill (\textbf{S}peedy \textbf{H}ypergraph \textbf{A}nd \textbf{R}eview-based \textbf{P}ersonalised \textbf{Distill}ation), a novel knowledge distillation approach based on the teacher-student framework that combines Hypergraph Neural Networks (HGNNs) with language models to enhance recommendation quality while significantly improving inference time. The teacher model leverages HGNNs to generate user and item embeddings from interaction data, capturing high-order and group relationships, and employing a pre-trained language model to extract rich semantic features from textual reviews. We utilize a contrastive learning mechanism to ensure structural consistency between various representations. The student includes a shallow and lightweight GCN called CompactGCN designed to inherit high-order relationships while reducing computational complexity. Extensive experiments on real-world datasets demonstrate that SHARP-Distill achieves up to 68× faster inference time compared to HGNN and 40× faster than LightGCN while maintaining competitive recommendation accuracy.

General Machine Learning · Representation Learning

Jiahao Zhu, Kang You, Dandan Ding, Zhan Ma

Reflectance attributes in LiDAR point clouds provide essential information for downstream tasks but remain underexplored in neural compression methods. To address this, we introduce SerLiC, a serialization-based neural compression framework to fully exploit the intrinsic characteristics of LiDAR reflectance. SerLiC first transforms 3D LiDAR point clouds into 1D sequences via scan-order serialization, offering a device-centric perspective for reflectance analysis. Each point is then tokenized into a contextual representation comprising its sensor scanning index, radial distance, and prior reflectance, for effective dependencies exploration. For efficient sequential modeling, Mamba is incorporated with a dual parallelization scheme, enabling simultaneous autoregressive dependency capture and fast processing. Extensive experiments demonstrate that SerLiC attains over 2$\times$ volume reduction against the original reflectance data, outperforming the state-of-the-art method by up to 22\% reduction of compressed bits while using only 2\% of its parameters. Moreover, a lightweight version of SerLiC achieves $\geq 10$ fps (frames per second) with just 111K parameters, which is attractive for real applications.

Deep Learning · Attention Mechanisms

Jianliang He, Xintian Pan, Siyu Chen, Zhuoran Yang

We study how multi-head softmax attention models are trained to perform in-context learning on linear data. Through extensive empirical experiments and rigorous theoretical analysis, we demystify the emergence of elegant attention patterns: a diagonal and homogeneous pattern in the key-query weights, and a last-entry-only and zero-sum pattern in the output-value weights. Remarkably, these patterns consistently appear from gradient-based training starting from random initialization. Our analysis reveals that such emergent structures enable multi-head attention to approximately implement a debiased gradient descent predictor --- one that outperforms single-head attention and nearly achieves Bayesian optimality up to proportional factor. We also extend our study to scenarios with anisotropic covariates and multi-task linear regression. Our results reveal that in-context learning ability emerges from the trained transformer as an aggregated effect of its architecture and the underlying data distribution, paving the way for deeper understanding and broader applications of in-context learning.

Applications · Health / Medicine

Yuhui Zhang, Yuchang Su, Chenyu Wang, Tianhong Li, Zoe Wefers, Jeffrey J. Nirschl, James Burgess, Daisy Yi Ding, Alejandro Lozano, Emma Lundberg 等

Building a virtual cell capable of accurately simulating cellular behaviors in silico has long been a dream in computational biology. We introduce CellFlux, an image-generative model that simulates cellular morphology changes induced by chemical and genetic perturbations using flow matching. Unlike prior methods, CellFlux models distribution-wise transformations from unperturbed to perturbed cell states, effectively distinguishing actual perturbation effects from experimental artifacts such as batch effects—a major challenge in biological data. Evaluated on chemical (BBBC021), genetic (RxRx1), and combined perturbation (JUMP) datasets, CellFlux generates biologically meaningful cell images that faithfully capture perturbation-specific morphological changes, achieving a 35% improvement in FID scores and a 12% increase in mode-of-action prediction accuracy over existing methods. Additionally, CellFlux enables continuous interpolation between cellular states, providing a potential tool for studying perturbation dynamics. These capabilities mark a significant step toward realizing virtual cell modeling for biomedical research. Project page: https://yuhui-zh15.github.io/CellFlux/.

General Machine Learning · Online Learning, Active Learning and Bandits

Yash Kheshwani, Avishek Ghosh, Nikhil Karamchandani

This work investigates the problem of best arm identification for multi-agent multi-armed bandits. We consider $N$ agents grouped into $M$ clusters, where each cluster solves a stochastic bandit problem. The mapping between agents and bandits is \textit{a priori} unknown. Each bandit is associated with $K$ arms, and the goal is to identify the best arm for each agent under a $\delta$-probably correct ($\delta$-PC) framework, while minimizing sample complexity and communication overhead. We propose two novel algorithms: \emph{Clustering then Best Arm Identification} (\texttt{Cl-BAI}) and \emph{Best Arm Identification then Clustering} (\texttt{BAI-Cl}). \texttt{Cl-BAI} employs a two-phase approach that first clusters agents based on the bandit problems they are learning, followed by identifying the best arm for each cluster. \texttt{BAI-Cl} reverses the sequence by identifying the best arms first and then clustering agents accordingly. Both algorithms exploit the successive elimination framework to ensure computational efficiency and high accuracy. Theoretical analysis establishes $\delta$-PC guarantees for both methods, derives bounds on their sample complexity, and provides a lower bound for the problem class. Moreover, when $M$ is small (a constant), we show that the sample complexity of (a variant of) \texttt{BAI-Cl} is (order-wise) minimax optimal. Experiments on synthetic and real-world (Movie Lens, Yelp) data demonstrates the superior performance of the proposed algorithms in terms of sample and communication efficiency, particularly in settings where $M \ll N$.

Theory · Learning Theory

Alekh Agarwal, Christoph Dann, Teodor Vanislavov Marinov

Offline algorithms for Reinforcement Learning from Human Preferences (RLHF), which use only a fixed dataset of sampled responses given an input, and preference feedback among these responses, have gained increasing prominence in the literature on aligning language models. In this paper, we study how the different design choices made in methods such as DPO, IPO, SLiC and many variants influence the quality of the learned policy, from a theoretical perspective. Our treatment yields insights into the choices of loss function, the policy which is used to normalize log-likelihoods, and also the role of the data sampling policy. Notably, our results do not rely on the standard reparameterization-style arguments used to motivate some of the algorithms in this family, which allows us to give a unified treatment to a broad class of methods. We also conduct a small empirical study to verify some of the theoretical findings on a standard summarization benchmark.

General Machine Learning · Causality

Daniele Tramontano, Yaroslav Kivva, Saber Salehkaleybar, Negar Kiyavash, Mathias Drton

This paper investigates causal effect identification in latent variable Linear Non-Gaussian Acyclic Models (lvLiNGAM) using higher-order cumulants, addressing two prominent setups that are challenging in the presence of latent confounding: (1) a single proxy variable that may causally influence the treatment and (2) underspecified instrumental variable cases where fewer instruments exist than treatments. We prove that causal effects are identifiable with a single proxy or instrument and provide corresponding estimation methods. Experimental results demonstrate the accuracy and robustness of our approaches compared to existing methods, advancing the theoretical and practical understanding of causal inference in linear systems with latent confounders.

General Machine Learning · Clustering

Jingxin Liu, Renda Han, Wenxuan Tu, Haotian Wang, Junlong Wu, Jieren Cheng

Subgraphs of a complete graph are usually distributed across multiple devices and can only be accessed locally because the raw data cannot be directly shared. However, existing node-level federated graph learning suffers from at least one of the following issues: 1) heavily relying on labeled graph samples that are difficult to obtain in real-world applications, and 2) partitioning a complete graph into several subgraphs inevitably causes missing links, leading to sub-optimal sample representations. To solve these issues, we propose a novel $\underline{\text{Fed}}$erated $\underline{\text{N}}$ode-level $\underline{\text{C}}$lustering $\underline{\text{N}}$etwork (FedNCN), which mends the destroyed cross-subgraph links using clustering prior knowledge. Specifically, within each client, we first design an MLP-based projector to implicitly preserve key clustering properties of a subgraph in a denoising learning-like manner, and then upload the resultant clustering signals that are hard to reconstruct for subsequent cross-subgraph links restoration. In the server, we maximize the potential affinity between subgraphs stemming from clustering signals by graph similarity estimation and minimize redundant links via the N-Cut criterion. Moreover, we employ a GNN-based generator to learn consensus prototypes from this mended graph, enabling the MLP-GNN joint-optimized learner to enhance data privacy during data transmission and further promote the local model for better clustering. Extensive experiments demonstrate the superiority of FedNCN.

Theory · Learning Theory

Doron Cohen, Aryeh Kontorovich, Roi Weiss

We revisit the recently introduced Local Glivenko-Cantelli setting, which studies distribution-dependent uniform convergence rates of the Empirical Mean Estimator (EME). In this work, we investigate generalizations of this setting where arbitrary estimators are allowed rather than just the EME. Can a strictly larger class of measures be learned? Can better risk decay rates be obtained? We provide exhaustive answers to these questions—which are both negative, provided the learner is barred from exploiting some infinite-dimensional pathologies. On the other hand, allowing such exploits does lead to a strictly larger class of learnable measures.

Deep Learning · Large Language Models

Jialong Guo, Xinghao Chen, Yehui Tang, Yunhe Wang

Large language models(LLMs) have garnered significant attention and demonstrated impressive capabilities in a wide range of applications. However, due to their enormous computational costs, the deployment and application of LLMs are often severely limited. To address this issue, structured pruning is an effective solution to compress the parameters of LLMs. Determining the importance of each sub-module in LLMs and minimizing performance loss are critical issues that need to be carefully addressed in structured pruning. In this paper, we propose an effective and fast structured pruning method named SlimLLM for large language models. For channel and attention head pruning, we evaluate the importance based on the entire channel or head, rather than merely aggregating the importance of individual elements within a sub-module. This approach enables a more holistic consideration of the interdependence among elements within the sub-module. In addition, we design a simple linear regression strategy for the output matrix to quickly recover performance. We also propose layer-based importance ratio to determine the pruning ratio for each layer. Based on the LLaMA benchmark results, our SlimLLM outperforms other methods and achieves state-of-the-art performance.