论文检索

Deep Learning · Large Language Models

Chunhui Zhang, Zhongyu Ouyang, Kwonjoon Lee, Nakul Agarwal, Sean Houlihan, Soroush Vosoughi, Shao-Yuan Lo

Theory-of-mind (ToM) enables humans to infer mental states—such as beliefs, desires, and intentions—forming the foundation of social cognition. Existing computational ToM methods rely on structured workflows with ToM-specific priors or deep model fine-tuning but struggle with scalability in multimodal environments. They remain trapped within the gravitational pull of multi-step planning complexity, failing to generalize as task demands increase. To overcome these limitations, we propose a scalable Bayesian ToM planner. It breaks down ToM complexity into stepwise Bayesian updates. Meanwhile, weak-to-strong control specializes smaller LMs to refine ToM-specific likelihood estimation, transferring their ToM reasoning behavior to larger LMs (7B to 405B) for social and world knowledge integration. This synergistic approach enables scalability, aligning large-model inference with human mental states with Bayesian principles. Extensive experiments demonstrate a 4.6% improvement in accuracy over state-of-the-art methods on multimodal ToM benchmarks, including unseen scenarios, establishing a new standard for modeling human mental states in complex environments.

Social Aspects · Privacy

Longzhu He, Chaozhuo Li, Peng Tang, Sen Su

Graph Neural Networks (GNNs) have demonstrated superior performance in a variety of graph mining and learning tasks. However, when node representations involve sensitive personal information or variables related to individuals, learning from graph data can raise significant privacy concerns. Although recent studies have explored local differential privacy (LDP) to address these concerns, they often introduce significant distortions to graph data, severely degrading private learning utility (e.g., node classification accuracy). In this paper, we present UPGNET, an LDP-based privacy-preserving graph learning framework that enhances utility while protecting user data privacy. Specifically, we propose a three-stage pipeline that generalizes the LDP protocols for node features, targeting privacy-sensitive scenarios. Our analysis identifies two key factors that affect the utility of privacy-preserving graph learning: *feature dimension* and *neighborhood size*. Based on the above analysis, UPGNET enhances utility by introducing two core layers: High-Order Aggregator (HOA) layer and the Node Feature Regularization (NFR) layer. Extensive experiments on real-world datasets indicate that UPGNET significantly outperforms existing methods in terms of both privacy protection and learning utility.

General Machine Learning · Scalable Algorithms

İlker Işık, Ramazan Gokberk Cinbis, Ebru Gol

Language models lack the notion of interchangeable tokens: symbols that are semantically equivalent yet distinct, such as bound variables in formal logic. This limitation prevents generalization to larger vocabularies and hinders the model's ability to recognize alpha-equivalence, where renaming bound variables preserves meaning. We formalize this machine learning problem and introduce alpha-covariance, a metric for evaluating robustness to such transformations. To tackle this task, we propose a dual-part token embedding strategy: a shared component ensures semantic consistency, while a randomized component maintains token distinguishability. Compared to a baseline that relies on alpha-renaming for data augmentation, our approach demonstrates improved generalization to unseen tokens in linear temporal logic solving, propositional logic assignment prediction, and copying with an extendable vocabulary, while introducing a favorable inductive bias for alpha-equivalence. Our findings establish a foundation for designing language models that can learn interchangeable token representations, a crucial step toward more flexible and systematic reasoning in formal domains. Our code and project page are available at https://necrashter.github.io/interchangeable-token-embeddings

Reinforcement Learning

Zhilong Zhang, Tian Xu, Xinghao Du, Xingchen Cao, Yihao Sun, Yang Yu

In sequential decision-making, the reward function serves as the primary supervision signal, guiding agents to acquire the desired behaviors. Traditional reward modeling methods rely heavily on human expertise, limiting their scalability. Automated preference generation from suboptimal demonstrations has emerged as a promising alternative to address this limitation. This approach first generates preference data from suboptimal demonstrations and then trains reward models based on these preferences. Despite its potential, existing methods often struggle to generate preference data with sufficient coverage, limiting the accuracy and generalizability of the resulting reward models. To overcome this limitation, we propose APEC (Automated Preference generation with Enhanced Coverage), a novel method that improves the coverage of preference data. APEC achieves this by selecting policy pairs with significantly different iteration indices from the whole adversarial imitation learning process. We provide a theoretical analysis to validate that the selected policy pairs provably hold preference relationships. Experimental results demonstrate that APEC consistently outperforms baseline methods in generating preferences with broader coverage across both vector-based and pixel-based control tasks. Consequently, the reward models trained with APEC align more closely with ground-truth rewards, deriving improved policy performance.

General Machine Learning · Evaluation

Shimin Zhang, Ziyuan Ye, Yinsong Yan, Zeyang Song, Yujie Wu, Jibin Wu

Determining the similarity between dynamical systems remains a long-standing challenge in both machine learning and neuroscience. Recent works based on Koopman operator theory have proven effective in analyzing dynamical similarity by examining discrepancies in the Koopman spectrum. Nevertheless, existing similarity metrics can be severely constrained when systems exhibit complex nonlinear behaviors across multiple temporal scales. In this work, we propose **KoopSTD**, a dynamical similarity measurement framework that precisely characterizes the underlying dynamics by approximating the Koopman spectrum with explicit timescale decoupling and spectral residual control. We show that KoopSTD maintains invariance under several common representation-space transformations, which ensures robust measurements across different coordinate systems. Our extensive experiments on physical and neural systems validate the effectiveness, scalability, and robustness of KoopSTD compared to existing similarity metrics. We also apply KoopSTD to explore two open-ended research questions in neuroscience and large language models, highlighting its potential to facilitate future scientific and engineering discoveries. Code is available at [link](https://github.com/ZhangShimin1/KoopSTD).

Deep Learning · Generative Models and Autoencoders

Enze Xie, Junsong Chen, Yuyang Zhao, Jincheng YU, Ligeng Zhu, Yujun Lin, Zhekai Zhang, Muyang Li, Junyu Chen, Han Cai 等

This paper presents SANA-1.5, a linear Diffusion Transformer for efficient scaling in text-to-image generation. Building upon SANA-1.0, we introduce three key innovations: (1) Efficient Training Scaling: A depth-growth paradigm that enables scaling from 1.6B to 4.8B parameters with significantly reduced computational resources, combined with a memory-efficient 8-bit optimizer. (2) Model Depth Pruning: A block importance analysis technique for efficient model compression to arbitrary sizes with minimal quality loss. (3) Inference-time Scaling: A repeated sampling strategy that trades computation for model capacity, enabling smaller models to match larger model quality at inference time. Through these strategies, SANA-1.5 achieves a text-image alignment score of 0.72 on GenEval, which can be further improved to 0.80 through inference scaling, establishing a new SoTA on GenEval benchmark. These innovations enable efficient model scaling across different compute budgets while maintaining high quality, making high-quality image generation more accessible.

General Machine Learning · Causality

Ke Zhu, Jianing Chu, Ilya Lipkovich, Wenyu Ye, Shu Yang

Individualized treatment rules/recommendations (ITRs) aim to improve patient outcomes by tailoring treatments to the characteristics of each individual. However, in high-dimensional treatment settings, existing methods face significant challenges due to data sparsity within treatment groups and highly unbalanced covariate distributions across groups. To address these challenges, we propose a novel calibration-weighted treatment fusion procedure that robustly balances covariates across treatment groups and fuses similar treatments using a penalized working model. The fusion procedure ensures the recovery of latent treatment group structures when either the calibration model or the outcome model is correctly specified. In the fused treatment space, practitioners can seamlessly apply state-of-the-art ITR learning methods with the flexibility to utilize a subset of covariates, thereby achieving robustness while addressing practical concerns such as fairness. We establish theoretical guarantees, including consistency, the oracle property of treatment fusion, and regret bounds when integrated with multi-armed ITR learning methods such as policy trees. Simulation studies show superior group recovery and policy value compared to existing approaches. We illustrate the practical utility of our method using EHR-derived data from patients with Chronic Lymphocytic Leukemia and Small Lymphocytic Lymphoma.

Deep Learning · Large Language Models

Yiting Liu, Zhi-Hong Deng

In-context learning has become a standard approach for utilizing language models.However, selecting and processing suitable demonstration examples can be challenging and time-consuming, especially when dealing with large numbers of them.We propose Iterative Vectors (IVs), a technique that explores activation space to enhance in-context performance by simulating gradient updates during inference.IVs extract and iteratively refine activation-based meta-gradients, applying them during inference without requiring backpropagation at any stage.We evaluate IVs across various tasks using four popular models and observe significant improvements.Our findings suggest that in-context activation steering is a promising direction, opening new avenues for future research.

Optimization

Xiaole Zhang, Peiyu Zhang, Xiongye Xiao, Shixuan Li, Vasileios Tzoumas, Vijay Gupta, Paul Bogdan

Integer-order calculus fails to capture the long-range dependence (LRD) and memory effects found in many complex systems. Fractional calculus addresses these gaps through fractional-order integrals and derivatives, but fractional-order dynamical systems pose substantial challenges in system identification and optimal control tasks. In this paper, we theoretically derive the optimal control via linear quadratic regulator (LQR) for fractional-order linear time-invariant (FOLTI) systems and develop an end-to-end deep learning framework based on this theoretical foundation. Our approach establishes a rigorous mathematical model, derives analytical solutions, and incorporates deep learning to achieve data-driven optimal control of FOLTI systems. Our key contributions include: (i) proposing a novel method for system identification and optimal control strategy in FOLTI systems, (ii) developing the first end-to-end data-driven learning framework, Fractional-Order Learning for Optimal Control (FOLOC), that learns control policies from observed trajectories, and (iii) deriving theoretical bounds on the sample complexity for learning accurate control policies under fractional-order dynamics. Experimental results indicate that our method accurately approximates fractional-order system behaviors without relying on Gaussian noise assumptions, pointing to promising avenues for advanced optimal control.

Applications · Computer Vision

Yabo Liu, Waikeung Wong, Chengliang Liu, Xiaoling Luo, Yong Xu, Jinghua Wang

Segment Anything Model (SAM) has demonstrated remarkable zero-shot segmentation capabilities across various visual tasks. However, its performance degrades significantly when deployed in new target domains with substantial distribution shifts. While existing self-training methods based on fixed teacher-student architectures have shown improvements, they struggle to ensure that the teacher network consistently outperforms the student under severe domain shifts. To address this limitation, we propose a novel Collaborative Mutual Learning Framework for source-free SAM adaptation, leveraging dual-networks in a dynamic and cooperative manner. Unlike fixed teacher-student paradigms, our method dynamically assigns the teacher and student roles by evaluating the reliability of each collaborative network in each training iteration. Our framework incorporates a dynamic mutual learning mechanism with three key components: a direct alignment loss for knowledge transfer, a reverse distillation loss to encourage diversity, and a triplet relationship loss to refine feature representations. These components enhance the adaptation capabilities of the collaborative networks, enabling them to generalize effectively to target domains while preserving their pre-trained knowledge. Extensive experiments on diverse target domains demonstrate that our proposed framework achieves state-of-the-art adaptation performance.

Theory · Learning Theory

Zhiyang Chen, Hailong Yao, Xia Yin

Multi-objective optimization problems arise widely in various fields. In practice, multi-objective optimization is generally solved by heuristics with tunable parameters that are highly application-specific. Tuning parameters based on real-world instances (a.k.a. algorithm configuration) are generally empirical without theoretical guarantees. In this work, we establish the theoretical foundation of data-driven multi-objective optimization through the lens of machine learning theory. We provide generalization guarantees on selecting parameters for multi-objective optimization algorithms based on sampled problem instances. Moreover, if the performance metric of the algorithm is the Pareto volume, we can PAC-learn the approximately optimal configuration in polynomial time. We apply our framework to various algorithms, including approximation algorithms, local search, and linear programming. Experiments on multiple problems verify our theoretical findings.

Optimization · Zero-order and Black-box Optimization

Leonard Papenmeier, Matthias Poloczek, Luigi Nardi

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges that arise in high-dimensional BO and explain why recent methods succeed. Our empirical analysis shows that vanishing gradients caused by Gaussian process (GP) initialization schemes play a major role in the failures of high-dimensional Bayesian optimization (HDBO) and that methods that promote local search behaviors are better suited for the task. We find that maximum likelihood estimation (MLE) of GP length scales suffices for state-of-the-art performance. Based on this, we propose a simple variant of MLE called MSR that leverages these findings to achieve state-of-the-art performance on a comprehensive set of real-world applications. We present targeted experiments to illustrate and confirm our findings.

General Machine Learning · Representation Learning

Zhe Zhao, HaiBin Wen, Pengkun Wang, ShuangWang, Zhenkun Wang, Qingfu Zhang, Yang Wang

Long-tailed distribution datasets are prevalent in many machine learning tasks, yet existing neural network models still face significant challenges when handling such data. This paper proposes a novel adaptive pruning strategy, LTAP (Long-Tailed Adaptive Pruner), aimed at balancing model efficiency and performance to better address the challenges posed by long-tailed data distributions. LTAP introduces multi-dimensional importance scoring criteria and designs a dynamic weight adjustment mechanism to adaptively determine the pruning priority of parameters for different classes. By focusing on protecting parameters critical for tail classes, LTAP significantly enhances computational efficiency while maintaining model performance. This method combines the strengths of long-tailed learning and neural network pruning, overcoming the limitations of existing approaches in handling imbalanced data. Extensive experiments demonstrate that LTAP outperforms existing methods on various long-tailed datasets, achieving a good balance between model compression rate, computational efficiency, and classification accuracy. This research provides new insights into solving model optimization problems in long-tailed learning and is significant for improving the performance of neural networks on imbalanced datasets. The code is available at https://github.com/DataLab-atom/LT-VOTE.

Deep Learning · Large Language Models

Kai Liu, Bowen Xu, Shaoyu Wu, Xin Chen, Hao Zhou, Yongliang Tao, lulu hu

Activation sparsity can reduce the computational overhead and memory transfers during the forward pass of Large Language Model (LLM) inference. Existing methods face limitations, either demanding time-consuming recovery training that hinders real-world adoption, or relying on empirical magnitude-based pruning, which causes fluctuating sparsity and unstable inference speed-up. This paper introduces LaRoSA (**La**yerwise **Ro**tated **S**parse **A**ctivation), a novel method for activation sparsification designed to improve LLM efficiency without requiring additional training or magnitude-based pruning. We leverage layerwise orthogonal rotations to transform input activations into rotated forms that are more suitable for sparsification. By employing a Top-K selection approach within the rotated activations, we achieve consistent model-level sparsity and reliable wall-clock time speed-up. LaRoSA is effective across various sizes and types of LLMs, demonstrating minimal performance degradation and robust inference acceleration. Specifically, for LLaMA2-7B at 40\% sparsity, LaRoSA achieves a mere 0.17 perplexity gap with a consistent 1.30× wall-clock time speed-up, and reduces the accuracy gap in zero-shot tasks compared to the dense model to just 0.54\%, while surpassing TEAL by 1.77\% and CATS by 17.14\%.

Social Aspects · Accountability, Transparency, and Interpretability

Connor Lawless, Lily Weng, Berk Ustun, Madeleine Udell

Machine learning models can assign fixed predictions that preclude individuals from changing their outcome. Existing approaches to audit fixed predictions do so on a pointwise basis, which requires access to an existing dataset of individuals and may fail to anticipate fixed predictions in out-of-sample data. This work presents a new paradigm to identify fixed predictions by finding confined regions of the feature space in which all individuals receive fixed predictions. This paradigm enables the certification of recourse for out-of-sample data, works in settings without representative datasets, and provides interpretable descriptions of individuals with fixed predictions. We develop a fast method to discover confined regions for linear classifiers using mixed-integer quadratically constrained programming. We conduct a comprehensive empirical study of confined regions across diverse applications. Our results highlight that existing pointwise verification methods fail to anticipate future individuals with fixed predictions, while our method both identifies them and provides an interpretable description.

Social Aspects · Privacy

Guopeng Lin, Ruisheng Zhou, Shuyu Chen, Weili Han, Jin Tan, Wenjing Fang, Lei Wang, Tao Wei

K-nearest neighbors (KNN) classification plays a significant role in various applications due to its interpretability. The accuracy of KNN classification relies heavily on large amounts of high-quality data, which are often distributed among different parties and contain sensitive information. Dozens of privacy-preserving frameworks have been proposed for performing KNN classification with data from different parties while preserving data privacy. However, existing privacy-preserving frameworks for KNN classification demonstrate communication inefficiency in the online phase due to two main issues: (1) They suffer from huge communication size for secure Euclidean square distance computations. (2) They require numerous communication rounds to select the $k$ nearest neighbors. In this paper, we present $\texttt{Kona}$, an efficient privacy-preserving framework for KNN classification. We resolve the above communication issues by (1) designing novel Euclidean triples, which eliminate the online communication for secure Euclidean square distance computations, (2) proposing a divide-and-conquer bubble protocol, which significantly reduces communication rounds for selecting the $k$ nearest neighbors. Experimental results on eight real-world datasets demonstrate that $\texttt{Kona}$ significantly outperforms the state-of-the-art framework by $1.1\times \sim 3121.2\times$ in communication size, $19.1\times \sim 5783.2\times$ in communication rounds, and $1.1\times \sim 232.6\times$ in runtime.

Theory · Active Learning and Interactive Learning

Ojash Neopane, Aaditya Ramdas, Aarti Singh

Estimation and inference for the Average Treatment Effect (ATE) is a cornerstone of causal inference and often serves as the foundation for developing procedures for more complicated settings. Although traditionally analyzed in a batch setting, recent advances in martingale theory have paved the way for adaptive methods that can enhance the power of downstream inference. Despite these advances, progress in understanding and developing adaptive algorithms remains in its early stages. Existing work either focus on asymptotic analyses that overlook exploration-exploitation trade-offs relevant in finite-sample regimes or rely on simpler but suboptimal estimators.In this work, we address these limitations by studying adaptive sampling procedures that take advantage of the asymptotically optimal Augmented Inverse Probability Weighting (AIPW) estimator. Our analysis uncovers challenges obscured by asymptotic approaches and introduces a novel algorithmic design principle reminiscent of optimism in multi-armed bandits. This principled approach enables our algorithm to achieve significant theoretical and empirical gains compared to previous methods. Our findings mark a step forward in the advancement of adaptive causal inference methods in theory and practice.

Reinforcement Learning

Ziqian Zhang, Bohan Yang, Lihe Li, Yuqi Bian, Ruiqi Xue, Feng Chen, Yi-Chen Li, lei yuan, Yang Yu

The policy trained via reinforcement learning (RL) makes decisions based on sensor-derived state features. It is common for state features to evolve for reasons such as periodic sensor maintenance or the addition of new sensors for performance improvement. The deployed policy fails in new state space when state features are unseen during training. Previous work tackles this challenge by training a sensor-invariant policy or generating multiple policies and selecting the appropriate one with limited samples. However, both directions struggle to guarantee the performance when faced with unpredictable evolutions. In this paper, we formalize this problem as state evolvable reinforcement learning (SERL), where the agent is required to mitigate policy degradation after state evolutions without costly exploration. We propose **Lapse** by reusing policies learned from the old state space in two distinct aspects. On one hand, Lapse directly reuses the *robust* old policy by composing it with a learned state reconstruction model to handle vanishing sensors. On the other hand, the behavioral experience from the old policy is reused by Lapse to train a newly adaptive policy through offline learning, better utilizing new sensors. To leverage advantages of both policies in different scenarios, we further propose *automatic ensemble weight adjustment* to effectively aggregate them. Theoretically, we justify that robust policy reuse helps mitigate uncertainty and error from both evolution and reconstruction. Empirically, Lapse achieves a significant performance improvement, outperforming the strongest baseline by about $2\times$ in benchmark environments.

Applications · Chemistry, Physics, and Earth Sciences

Liming Shen, Liang Deng, Chongke Bi, Yu Wang, Xinhai Chen, Yueqing Wang, Jie Liu

Implicit neural representation (INR) has now been thrust into the limelight with its flexibility in high-fidelity flow field reconstruction tasks. However, the lack of standard benchmarking datasets and the grid independence assumption for INR-based methods hinder progress and adoption in real-world simulation scenarios. Moreover, naive adoptions of existing INR frameworks suffer from limited accuracy in capturing fine-scale structures and spatiotemporal dynamics. Tacking these issues, we first introduce HFR-Beach, a 5.4 TB public large-scale CFD dataset with 33,600 unsteady 2D and 3D vector fields for reconstructing high-fidelity flow fields. We further present PEINR, a physics-enhanced INR framework, to enrich the flow fields by concurrently enhancing numerical-precision and grid-resolution. Specifically, PEINR is mainly composed of physical encoding and transformer-based spatiotemporal fuser (TransSTF). Physical encoding decouples temporal and spatial components, employing Gaussian coordinate encoding and localized encoding techniques to capture the nonlinear characteristics of spatiotemporal dynamics and the stencil discretization of spatial dimensions, respectively. TransSTF fuses both spatial and temporal information via transformer for capturing long-range temporal dependencies. Qualitative and quantitative experiments and demonstrate that PEINR outperforms state-of-the-art INR-based methods in reconstruction quality.

General Machine Learning · Unsupervised and Semi-supervised Learning

Adam Breuer

In this paper, we provide the first practical algorithms with provable guarantees for the problem of inferring the topics assigned to each document in an LDA topic model. This is the primary inference problem for many applications of topic models in social science, data exploration, and causal inference settings. We obtain this result by showing a novel non-gradient-based, combinatorial approach to estimating topic models. This yields algorithms that converge to near-optimal posterior probability in logarithmic parallel computation time (adaptivity)---exponentially faster than any known LDA algorithm. We also show that our approach can provide interpretability guarantees such that each learned topic is formally associated with a known keyword. Finally, we show that unlike alternatives, our approach can maintain the independence assumptions necessary to use the learned topic model for downstream causal inference methods that allow researchers to study topics as treatments. In terms of practical performance, our approach consistently returns solutions of higher semantic quality than solutions from state-of-the-art LDA algorithms, neural topic models, and LLM-based topic models across a diverse range of text datasets and evaluation parameters.