Haixin Wang

Haixin Wang, Yadi Cao, Zijie Huang et al. · stanford

This paper explores the recent advancements in enhancing Computational Fluid Dynamics (CFD) tasks through Machine Learning (ML) techniques. We begin by introducing fundamental concepts, traditional methods, and benchmark datasets, then examine the various roles ML plays in improving CFD. The literature systematically reviews papers in recent five years and introduces a novel classification for forward modeling: Data-driven Surrogates, Physics-Informed Surrogates, and ML-assisted Numerical Solutions. Furthermore, we also review the latest ML methods in inverse design and control, offering a novel classification and providing an in-depth discussion. Then we highlight real-world applications of ML for CFD in critical scientific and engineering disciplines, including aerodynamics, combustion, atmosphere & ocean science, biology fluid, plasma, symbolic regression, and reduced order modeling. Besides, we identify key challenges and advocate for future research directions to address these challenges, such as multi-scale representation, physical knowledge encoding, scientific foundation model and automatic scientific discovery. This review serves as a guide for the rapidly expanding ML for CFD community, aiming to inspire insights for future advancements. We draw the conclusion that ML is poised to significantly transform CFD research by enhancing simulation accuracy, reducing computational time, and enabling more complex analyses of fluid dynamics. The paper resources can be viewed at https://github.com/WillDreamer/Awesome-AI4CFD.

Zhiyang Chen, Yousong Zhu, Zhaowen Li et al.

Visual tasks vary a lot in their output formats and concerned contents, therefore it is hard to process them with an identical structure. One main obstacle lies in the high-dimensional outputs in object-level visual tasks. In this paper, we propose an object-centric vision framework, Obj2Seq. Obj2Seq takes objects as basic units, and regards most object-level visual tasks as sequence generation problems of objects. Therefore, these visual tasks can be decoupled into two steps. First recognize objects of given categories, and then generate a sequence for each of these objects. The definition of the output sequences varies for different tasks, and the model is supervised by matching these sequences with ground-truth targets. Obj2Seq is able to flexibly determine input categories to satisfy customized requirements, and be easily extended to different visual tasks. When experimenting on MS COCO, Obj2Seq achieves 45.7% AP on object detection, 89.0% AP on multi-label classification and 65.0% AP on human pose estimation. These results demonstrate its potential to be generally applied to different visual tasks. Code has been made available at: https://github.com/CASIA-IVA-Lab/Obj2Seq.

Haixin Wang, Jianlong Chang, Xiao Luo et al.

Despite recent competitive performance across a range of vision tasks, vision Transformers still have an issue of heavy computational costs. Recently, vision prompt learning has provided an economic solution to this problem without fine-tuning the whole large-scale models. However, the efficiency of existing models are still far from satisfactory due to insertion of extensive prompts blocks and trick prompt designs. In this paper, we propose an efficient vision model named impLicit vIsion prOmpt tuNing (LION), which is motivated by deep implicit models with stable memory costs for various complex tasks. In particular, we merely insect two equilibrium implicit layers in two ends of the pre-trained main backbone with parameters in the backbone frozen. Moreover, we prune the parameters in these two layers according to lottery hypothesis. The performance obtained by our LION are promising on a wide range of datasets. In particular, our LION reduces up to 11.5% of training parameter numbers while obtaining higher performance compared with the state-of-the-art baseline VPT, especially under challenging scenes. Furthermore, we find that our proposed LION had a good generalization performance, making it an easy way to boost transfer learning in the future.

Haixin Wang, Hejie Cui, Chenwei Zhang et al.

Recent progress in multi-turn reinforcement learning (RL) has significantly improved reasoning LLMs' performances on complex interactive tasks. Despite advances in stabilization techniques such as fine-grained credit assignment and trajectory filtering, instability remains pervasive and often leads to training collapse. We argue that this instability stems from inefficient exploration in multi-turn settings, where policies continue to generate low-information actions that neither reduce uncertainty nor advance task progress. To address this issue, we propose Token- and Turn-level Policy Optimization (T$^2$PO), an uncertainty-aware framework that explicitly controls exploration at fine-grained levels. At the token level, T$^2$PO monitors uncertainty dynamics and triggers a thinking intervention once the marginal uncertainty change falls below a threshold. At the turn level, T$^2$PO identifies interactions with negligible exploration progress and dynamically resamples such turns to avoid wasted rollouts. We evaluate T$^2$PO in diverse environments, including WebShop, ALFWorld, and Search QA, demonstrating substantial gains in training stability and performance improvements with better exploration efficiency. Code is available at: https://github.com/WillDreamer/T2PO.

Yijia Xiao, Wanjia Zhao, Junkai Zhang et al.

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or applications, this work provides the first comprehensive overview of Protein LLMs, covering their architectures, training datasets, evaluation metrics, and diverse applications. Through a systematic analysis of over 100 articles, we propose a structured taxonomy of state-of-the-art Protein LLMs, analyze how they leverage large-scale protein sequence data for improved accuracy, and explore their potential in advancing protein engineering and biomedical research. Additionally, we discuss key challenges and future directions, positioning Protein LLMs as essential tools for scientific discovery in protein science. Resources are maintained at https://github.com/Yijia-Xiao/Protein-LLM-Survey.

Xiaoxuan Wang, Han Zhang, Haixin Wang et al.

Agentic reinforcement learning (ARL) has rapidly gained attention as a promising paradigm for training agents to solve complex, multi-step interactive tasks. Despite encouraging early results, ARL remains highly unstable, often leading to training collapse. This instability limits scalability to larger environments and longer interaction horizons, and constrains systematic exploration of algorithmic design choices. In this paper, we first propose ARLArena, a stable training recipe and systematic analysis framework that examines training stability in a controlled and reproducible setting. ARLArena first constructs a clean and standardized testbed. Then, we decompose policy gradient into four core design dimensions and assess the performance and stability of each dimension. Through this fine-grained analysis, we distill a unified perspective on ARL and propose SAMPO, a stable agentic policy optimization method designed to mitigate the dominant sources of instability in ARL. Empirically, SAMPO achieves consistently stable training and strong performance across diverse agentic tasks. Overall, this study provides a unifying policy gradient perspective for ARL and offers practical guidance for building stable and reproducible LLM-based agent training pipelines.

Haixin Wang, Jiaxin Li, Anubhav Dwivedi et al.

Elliptic partial differential equations (PDEs) are a major class of time-independent PDEs that play a key role in many scientific and engineering domains such as fluid dynamics, plasma physics, and solid mechanics. Recently, neural operators have emerged as a promising technique to solve elliptic PDEs more efficiently by directly mapping the input to solutions. However, existing networks typically cannot handle complex geometries and inhomogeneous boundary values present in the real world. Here we introduce Boundary-Embedded Neural Operators (BENO), a novel neural operator architecture that embeds the complex geometries and inhomogeneous boundary values into the solving of elliptic PDEs. Inspired by classical Green's function, BENO consists of two branches of Graph Neural Networks (GNNs) for interior source term and boundary values, respectively. Furthermore, a Transformer encoder maps the global boundary geometry into a latent vector which influences each message passing layer of the GNNs. We test our model extensively in elliptic PDEs with various boundary conditions. We show that all existing baseline methods fail to learn the solution operator. In contrast, our model, endowed with boundary-embedded architecture, outperforms state-of-the-art neural operators and strong baselines by an average of 60.96\%. Our source code can be found https://github.com/AI4Science-WestlakeU/beno.git.

Ching Chang, Jeehyun Hwang, Yidan Shi et al.

Time series data in real-world applications such as healthcare, climate modeling, and finance are often irregular, multimodal, and messy, with varying sampling rates, asynchronous modalities, and pervasive missingness. However, existing benchmarks typically assume clean, regularly sampled, unimodal data, creating a significant gap between research and real-world deployment. We introduce Time-IMM, a dataset specifically designed to capture cause-driven irregularity in multimodal multivariate time series. Time-IMM represents nine distinct types of time series irregularity, categorized into trigger-based, constraint-based, and artifact-based mechanisms. Complementing the dataset, we introduce IMM-TSF, a benchmark library for forecasting on irregular multimodal time series, enabling asynchronous integration and realistic evaluation. IMM-TSF includes specialized fusion modules, including a timestamp-to-text fusion module and a multimodality fusion module, which support both recency-aware averaging and attention-based integration strategies. Empirical results demonstrate that explicitly modeling multimodality on irregular time series data leads to substantial gains in forecasting performance. Time-IMM and IMM-TSF provide a foundation for advancing time series analysis under real-world conditions. The dataset is publicly available at https://github.com/blacksnail789521/Time-IMM, and the benchmark library can be accessed at https://github.com/blacksnail789521/IMM-TSF. Project page: https://blacksnail789521.github.io/time-imm-project-page/

Fan Zhang, Tianyu Liu, Zhihong Zhu et al.

Recent studies have demonstrated the feasibility of modeling single-cell data as natural languages and the potential of leveraging powerful large language models (LLMs) for understanding cell biology. However, a comprehensive evaluation of LLMs' performance on language-driven single-cell analysis tasks still remains unexplored. Motivated by this challenge, we introduce CellVerse, a unified language-centric question-answering benchmark that integrates four types of single-cell multi-omics data and encompasses three hierarchical levels of single-cell analysis tasks: cell type annotation (cell-level), drug response prediction (drug-level), and perturbation analysis (gene-level). Going beyond this, we systematically evaluate the performance across 14 open-source and closed-source LLMs ranging from 160M to 671B on CellVerse. Remarkably, the experimental results reveal: (1) Existing specialist models (C2S-Pythia) fail to make reasonable decisions across all sub-tasks within CellVerse, while generalist models such as Qwen, Llama, GPT, and DeepSeek family models exhibit preliminary understanding capabilities within the realm of cell biology. (2) The performance of current LLMs falls short of expectations and has substantial room for improvement. Notably, in the widely studied drug response prediction task, none of the evaluated LLMs demonstrate significant performance improvement over random guessing. CellVerse offers the first large-scale empirical demonstration that significant challenges still remain in applying LLMs to cell biology. By introducing CellVerse, we lay the foundation for advancing cell biology through natural languages and hope this paradigm could facilitate next-generation single-cell analysis.

Ching Chang, Yidan Shi, Defu Cao et al.

Time series reasoning treats time as a first-class axis and incorporates intermediate evidence directly into the answer. This survey defines the problem and organizes the literature by reasoning topology with three families: direct reasoning in one step, linear chain reasoning with explicit intermediates, and branch-structured reasoning that explores, revises, and aggregates. The topology is crossed with the main objectives of the field, including traditional time series analysis, explanation and understanding, causal inference and decision making, and time series generation, while a compact tag set spans these axes and captures decomposition and verification, ensembling, tool use, knowledge access, multimodality, agent loops, and LLM alignment regimes. Methods and systems are reviewed across domains, showing what each topology enables and where it breaks down in faithfulness or robustness, along with curated datasets, benchmarks, and resources that support study and deployment (https://github.com/blacksnail789521/Time-Series-Reasoning-Survey). Evaluation practices that keep evidence visible and temporally aligned are highlighted, and guidance is distilled on matching topology to uncertainty, grounding with observable artifacts, planning for shift and streaming, and treating cost and latency as design budgets. We emphasize that reasoning structures must balance capacity for grounding and self-correction against computational cost and reproducibility, while future progress will likely depend on benchmarks that tie reasoning quality to utility and on closed-loop testbeds that trade off cost and risk under shift-aware, streaming, and long-horizon settings. Taken together, these directions mark a shift from narrow accuracy toward reliability at scale, enabling systems that not only analyze but also understand, explain, and act on dynamic worlds with traceable evidence and credible outcomes.

Qianru Zhang, Chenglei Yu, Haixin Wang et al.

Time series prediction, a crucial task across various domains, faces significant challenges due to the inherent complexities of time series data, including non-stationarity, multi-scale periodicity, and transient dynamics, particularly when tackling long-term predictions. While Transformer-based architectures have shown promise, their quadratic complexity with sequence length hinders their efficiency for long-term predictions. Recent advancements in State-Space Models, such as Mamba, offer a more efficient alternative for long-term modeling, but they cannot capture multi-scale periodicity and transient dynamics effectively. Meanwhile, they are susceptible to data noise issues in time series. This paper proposes a novel framework, FLDmamba (Fourier and Laplace Transform Decomposition Mamba), addressing these limitations. FLDmamba leverages the strengths of both Fourier and Laplace transforms to effectively capture both multi-scale periodicity, transient dynamics within time series data, and improve the robustness of the model to the data noise issue. Our extensive experiments demonstrate that FLDmamba achieves superior performance on time series prediction benchmarks, outperforming both Transformer-based and other Mamba-based architectures. To promote the reproducibility of our method, we have made both the code and data accessible via the following URL:{\href{https://github.com/AI4Science-WestlakeU/FLDmamba}{https://github.com/AI4Science-WestlakeU/\model}.

Yihang Zhai, Haixin Wang, Jianlong Chang et al.

Instruction tuning has shown promising potential for developing general-purpose AI capabilities by using large-scale pre-trained models and boosts growing research to integrate multimodal information for creative applications. However, existing works still face two main limitations: the high training costs and heavy computing resource dependence of full model fine-tuning, and the lack of semantic information in instructions, which hinders multimodal alignment. Addressing these challenges, this paper proposes a novel approach to utilize Parameter-Efficient Tuning for generAl-purpose vision-Language models, namely PETAL. PETAL revolutionizes the training process by requiring only 0.5% of the total parameters, achieved through a unique mode approximation technique, which significantly reduces the training costs and reliance on heavy computing resources. Furthermore, PETAL enhances the semantic depth of instructions in two innovative ways: 1) by introducing adaptive instruction mixture-of-experts(MOEs), and 2) by fortifying the score-based linkage between parameter-efficient tuning and mutual information. Our extensive experiments across five multimodal downstream benchmarks reveal that PETAL not only outperforms current state-of-the-art methods in most scenarios but also surpasses full fine-tuning models in effectiveness. Additionally, our approach demonstrates remarkable advantages in few-shot settings, backed by comprehensive visualization analyses. Our source code is available at: https://github. com/melonking32/PETAL.

Ruoyan Li, Guancheng Wan, Zijie Huang et al.

Flow-field reconstruction from sparse sensor measurements remains a central challenge in modern fluid dynamics, as the need for high-fidelity data often conflicts with practical limits on sensor deployment. Existing deep learning-based methods have demonstrated promising results, but they typically depend on simplifying assumptions such as two-dimensional domains, predefined governing equations, synthetic datasets derived from idealized flow physics, and unconstrained sensor placement. In this work, we address these limitations by studying flow reconstruction under realistic conditions and introducing a directional transport-aware Graph Neural Network (GNN) that explicitly encodes both flow directionality and information transport. We further show that conventional sensor placement strategies frequently yield suboptimal configurations. To overcome this, we propose a novel Two-Step Constrained PPO procedure for Proximal Policy Optimization (PPO), which jointly optimizes sensor layouts by incorporating flow variability and accounts for reconstruction model's performance disparity with respect to sensor placement. We conduct comprehensive experiments under realistic assumptions to benchmark the performance of our reconstruction model and sensor placement policy. Together, they achieve significant improvements over existing methods.

Weichen Yu, Xiaomin Li, Yizhou Zhao et al.

Large language models are often post-trained with sparse verifier rewards, which indicate whether a sampled trajectory succeeds but provide limited guidance about where reasoning succeeds or fails. On-policy distillation (OPD) offers denser token-level supervision by training on student-generated trajectories, yet existing methods typically distill each rollout independently and ignore the other attempts sampled for the same prompt. We introduce Multi-Rollout On-Policy Distillation (MOPD), a peer-conditioned distillation framework that uses the student's local rollout group to construct more informative teacher signals. MOPD conditions the teacher on both successful and failed peer rollouts: successes provide positive evidence for valid reasoning patterns, while failures provide structured negative evidence about plausible mistakes to avoid. We study two peer-context constructions: positive peer imitation and contrastive success-failure conditioning. Experiments on competitive programming, mathematical reasoning, scientific question answering, and tool-use benchmarks show that MOPD consistently improves over standard on-policy baselines. Further teacher-signal analysis shows that mixed success-failure contexts better align teacher scores with verifier rewards, indicating that the gains arise from more faithful, instance-adaptive supervision. These results indicate that effective on-policy distillation should exploit the student's multi-rollout trial-and-error behavior rather than treating rollouts as isolated samples.

Haixin Wang, Jiashu Pan, Hao Wu et al.

Modeling complex fluid systems, especially turbulence governed by partial differential equations (PDEs), remains a fundamental challenge in science and engineering. Recently, diffusion-based generative models have gained attention as a powerful approach for these tasks, owing to their capacity to capture long-range dependencies and recover hierarchical structures. However, we present both empirical and theoretical evidence showing that generative models struggle with significant spectral bias and common-mode noise when generating high-fidelity turbulent flows. Here we propose FourierFlow, a novel generative turbulence modeling framework that enhances the frequency-aware learning by both implicitly and explicitly mitigating spectral bias and common-mode noise. FourierFlow comprises three key innovations. Firstly, we adopt a dual-branch backbone architecture, consisting of a salient flow attention branch with local-global awareness to focus on sensitive turbulence areas. Secondly, we introduce a frequency-guided Fourier mixing branch, which is integrated via an adaptive fusion strategy to explicitly mitigate spectral bias in the generative model. Thirdly, we leverage the high-frequency modeling capabilities of the masked auto-encoder pre-training and implicitly align the features of the generative model toward high-frequency components. We validate the effectiveness of FourierFlow on three canonical turbulent flow scenarios, demonstrating superior performance compared to state-of-the-art methods. Furthermore, we show that our model exhibits strong generalization capabilities in challenging settings such as out-of-distribution domains, long-term temporal extrapolation, and robustness to noisy inputs. The code can be found at https://github.com/AI4Science-WestlakeU/FourierFlow.

Haixin Wang, Ruoyan Li, Fred Xu et al.

Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://anonymous.4open.science/r/FD-Bench-15BC.

Haixin Wang, Xinlong Yang, Jianlong Chang et al.

Driven by the progress of large-scale pre-training, parameter-efficient transfer learning has gained immense popularity across different subfields of Artificial Intelligence. The core is to adapt the model to downstream tasks with only a small set of parameters. Recently, researchers have leveraged such proven techniques in multimodal tasks and achieve promising results. However, two critical issues remain unresolved: how to further reduce the complexity with lightweight design and how to boost alignment between modalities under extremely low parameters. In this paper, we propose A graceful prompt framework for cross-modal transfer (Aurora) to overcome these challenges. Considering the redundancy in existing architectures, we first utilize the mode approximation to generate 0.1M trainable parameters to implement the multimodal prompt tuning, which explores the low intrinsic dimension with only 0.04% parameters of the pre-trained model. Then, for better modality alignment, we propose the Informative Context Enhancement and Gated Query Transformation module under extremely few parameters scenes. A thorough evaluation on six cross-modal benchmarks shows that it not only outperforms the state-of-the-art but even outperforms the full fine-tuning approach. Our code is available at: https://github.com/WillDreamer/Aurora.

Qianru Zhang, Haixin Wang, Cheng Long et al.

This paper focuses on the integration of generative techniques into spatial-temporal data mining, considering the significant growth and diverse nature of spatial-temporal data. With the advancements in RNNs, CNNs, and other non-generative techniques, researchers have explored their application in capturing temporal and spatial dependencies within spatial-temporal data. However, the emergence of generative techniques such as LLMs, SSL, Seq2Seq and diffusion models has opened up new possibilities for enhancing spatial-temporal data mining further. The paper provides a comprehensive analysis of generative technique-based spatial-temporal methods and introduces a standardized framework specifically designed for the spatial-temporal data mining pipeline. By offering a detailed review and a novel taxonomy of spatial-temporal methodology utilizing generative techniques, the paper enables a deeper understanding of the various techniques employed in this field. Furthermore, the paper highlights promising future research directions, urging researchers to delve deeper into spatial-temporal data mining. It emphasizes the need to explore untapped opportunities and push the boundaries of knowledge to unlock new insights and improve the effectiveness and efficiency of spatial-temporal data mining. By integrating generative techniques and providing a standardized framework, the paper contributes to advancing the field and encourages researchers to explore the vast potential of generative techniques in spatial-temporal data mining.

Qianru Zhang, Xinyi Gao, Haixin Wang et al.

Graph neural networks (GNNs) have gained considerable attention in recent years for traffic flow prediction due to their ability to learn spatio-temporal pattern representations through a graph-based message-passing framework. Although GNNs have shown great promise in handling traffic datasets, their deployment in real-life applications has been hindered by scalability constraints arising from high-order message passing. Additionally, the over-smoothing problem of GNNs may lead to indistinguishable region representations as the number of layers increases, resulting in performance degradation. To address these challenges, we propose a new knowledge distillation paradigm termed LightST that transfers spatial and temporal knowledge from a high-capacity teacher to a lightweight student. Specifically, we introduce a spatio-temporal knowledge distillation framework that helps student MLPs capture graph-structured global spatio-temporal patterns while alleviating the over-smoothing effect with adaptive knowledge distillation. Extensive experiments verify that LightST significantly speeds up traffic flow predictions by 5X to 40X compared to state-of-the-art spatio-temporal GNNs, all while maintaining superior accuracy.

Fan Zhang, Zebang Cheng, Chong Deng et al.

Recent advances in multimodal large language models (MLLMs) have catalyzed transformative progress in affective computing, enabling models to exhibit emergent emotional intelligence. Despite substantial methodological progress, current emotional benchmarks remain limited, as it is still unknown: (a) the generalization abilities of MLLMs across distinct scenarios, and (b) their reasoning capabilities to identify the triggering factors behind emotional states. To bridge these gaps, we present \textbf{MME-Emotion}, a systematic benchmark that assesses both emotional understanding and reasoning capabilities of MLLMs, enjoying \textit{scalable capacity}, \textit{diverse settings}, and \textit{unified protocols}. As the largest emotional intelligence benchmark for MLLMs, MME-Emotion contains over 6,000 curated video clips with task-specific questioning-answering (QA) pairs, spanning broad scenarios to formulate eight emotional tasks. It further incorporates a holistic evaluation suite with hybrid metrics for emotion recognition and reasoning, analyzed through a multi-agent system framework. Through a rigorous evaluation of 20 advanced MLLMs, we uncover both their strengths and limitations, yielding several key insights: \ding{182} Current MLLMs exhibit unsatisfactory emotional intelligence, with the best-performing model achieving only $39.3\%$ recognition score and $56.0\%$ Chain-of-Thought (CoT) score on our benchmark. \ding{183} Generalist models (\emph{e.g.}, Gemini-2.5-Pro) derive emotional intelligence from generalized multimodal understanding capabilities, while specialist models (\emph{e.g.}, R1-Omni) can achieve comparable performance through domain-specific post-training adaptation. By introducing MME-Emotion, we hope that it can serve as a foundation for advancing MLLMs' emotional intelligence in the future.

Yuhang Yao, Haixin Wang, Yibo Chen et al.

AI Agents powered by Large Language Models are transforming the world through enormous applications. A super agent has the potential to fulfill diverse user needs, such as summarization, coding, and research, by accurately understanding user intent and leveraging the appropriate tools to solve tasks. However, to make such an agent viable for real-world deployment and accessible at scale, significant optimizations are required to ensure high efficiency and low cost. This position paper presents a design of the Super Agent System powered by the hybrid AI routers. Upon receiving a user prompt, the system first detects the intent of the user, then routes the request to specialized task agents with the necessary tools or automatically generates agentic workflows. In practice, most applications directly serve as AI assistants on edge devices such as phones and robots. As different language models vary in capability and cloud-based models often entail high computational costs, latency, and privacy concerns, we then explore the hybrid mode where the router dynamically selects between local and cloud models based on task complexity. Finally, we introduce the blueprint of an on-device super agent enhanced with cloud. With advances in multi-modality models and edge hardware, we envision that most computations can be handled locally, with cloud collaboration only as needed. Such architecture paves the way for super agents to be seamlessly integrated into everyday life in the near future.

Chengxin Hu, Hao Li, Yihe Yuan et al.

In the molecular domain, numerous studies have explored the use of multimodal large language models (LLMs) to construct a general-purpose, multi-task molecular model. However, these efforts are still far from achieving a truly universal molecular model. We identify three key challenges in this endeavor: (1) Existing molecular task datasets are typically small in scale and lack comprehensive domain coverage. (2) Tasks from different molecular subfields are difficult to effectively learn jointly through LLMs due to significant distributional shifts and competition among tasks, which introduces instability in the learning process. (3) Both inter-task and intra-task molecular representations demand different intrinsic dimensions in the language space, making it challenging to balance between redundancy and insufficiency in language model representations. To address these challenges, we innovatively categorize existing small-molecule tasks into four types: Mol2Mol, Mol2Text, Mol2Num, and Text2Mol. We then collect a dataset encompassing over 16 tasks with more than 1.4 million samples, making it the largest molecular instruction-tuning dataset to date. Leveraging the extensive pretraining of LLMs on existing chemical literature, we propose a novel multimodal LLM framework, named Omni-Mol, which unifies all small-molecule tasks and supports both molecular generation and understanding. The core of Omni-Mol is our proposed MoGE, which dynamically adapts to the intrinsic rank of different tasks. This mixture-of-experts architecture enhances the model's ability to handle diverse tasks and modalities effectively. Our model achieves unified instruction tuning across 16 tasks and attains state-of-the-art performance on 13 of them. Extensive experiments further demonstrate the scalability and versatility of Omni-Mol.

Fang Sun, Zijie Huang, Haixin Wang et al.

Accurately predicting long-horizon molecular dynamics (MD) trajectories remains a significant challenge, as existing deep learning methods often struggle to retain fidelity over extended simulations. We hypothesize that one key factor limiting accuracy is the difficulty of capturing interactions that span distinct spatial and temporal scales, ranging from high-frequency local vibrations to low-frequency global conformational changes. To address these limitations, we propose Graph Fourier Neural ODEs (GF-NODE), integrating a graph Fourier transform for spatial frequency decomposition with a Neural ODE framework for continuous-time evolution. Specifically, GF-NODE first decomposes molecular configurations into multiple spatial frequency modes using the graph Laplacian, then evolves the frequency components in time via a learnable Neural ODE module that captures both local and global dynamics, and finally reconstructs the updated molecular geometry through an inverse graph Fourier transform. By explicitly modeling high- and low-frequency phenomena in this unified pipeline, GF-NODE captures long-range correlations and local fluctuations more effectively. We provide theoretical insight through heat equation analysis on a simplified diffusion model, demonstrating how graph Laplacian eigenvalues can determine temporal dynamics scales, and crucially validate this correspondence through comprehensive empirical analysis on real molecular dynamics trajectories showing quantitative spatial-temporal correlations across diverse molecular systems. Experimental results on challenging MD benchmarks demonstrate that GF-NODE achieves state-of-the-art accuracy while preserving essential geometrical features over extended simulations. These findings highlight the promise of bridging spectral decomposition with continuous-time modeling to improve the robustness and predictive power of MD simulations.

Jianlong Chang, Haixin Wang, Zhiyuan Dang et al.

The pursuit of artificial general intelligence continuously demands generalization in one model across myriad tasks, even those not seen before. However, current AI models are isolated from each other for being limited to specific tasks, now first defined as Intelligence Islands. To unify Intelligence Islands into one, we propose Pangaea, the first AI supercontinent akin to the geological Pangaea. Pangaea encodes any data into a unified format and accumulates universal knowledge through pre-training on 296 datasets across diverse modalities. Eventually, it demonstrates remarkable generalization across 45 general tasks and 15 scientific tasks encompassing a wide range of scientific subjects. By investigating Pangaea deeper, the scaling effect of modality is revealed, quantifying the universal knowledge accumulation across modalities as the cumulative distribution function of a geometric distribution. On the whole, Pangaea shows strong potential to handle myriad tasks, indicating a new direction toward artificial general intelligence.

Hao Wu, Yuan Gao, Ruijian Gou et al.

Reliable long-term forecasting of Earth system dynamics is fundamentally limited by instabilities in current artificial intelligence (AI) models during extended autoregressive simulations. These failures often originate from inherent spectral bias, leading to inadequate representation of critical high-frequency, small-scale processes and subsequent uncontrolled error amplification. Inspired by the nested grids in numerical models used to resolve small scales, we present TritonCast. At the core of its design is a dedicated latent dynamical core, which ensures the long-term stability of the macro-evolution at a coarse scale. An outer structure then fuses this stable trend with fine-grained local details. This design effectively mitigates the spectral bias caused by cross-scale interactions. In atmospheric science, it achieves state-of-the-art accuracy on the WeatherBench 2 benchmark while demonstrating exceptional long-term stability: executing year-long autoregressive global forecasts and completing multi-year climate simulations that span the entire available $2500$-day test period without drift. In oceanography, it extends skillful eddy forecast to $120$ days and exhibits unprecedented zero-shot cross-resolution generalization. Ablation studies reveal that this performance stems from the synergistic interplay of the architecture's core components. TritonCast thus offers a promising pathway towards a new generation of trustworthy, AI-driven simulations. This significant advance has the potential to accelerate discovery in climate and Earth system science, enabling more reliable long-term forecasting and deeper insights into complex geophysical dynamics.

Qianru Zhang, Xinyi Gao, Haixin Wang et al.

Spatial-temporal graph representations play a crucial role in urban sensing applications, including traffic analysis, human mobility behavior modeling, and citywide crime prediction. However, a key challenge lies in the noisy and sparse nature of spatial-temporal data, which limits existing neural networks' ability to learn meaningful region representations in the spatial-temporal graph. To overcome these limitations, we propose HGAurban, a novel heterogeneous spatial-temporal graph masked autoencoder that leverages generative self-supervised learning for robust urban data representation. Our framework introduces a spatial-temporal heterogeneous graph encoder that extracts region-wise dependencies from multi-source data, enabling comprehensive modeling of diverse spatial relationships. Within our self-supervised learning paradigm, we implement a masked autoencoder that jointly processes node features and graph structure. This approach automatically learns heterogeneous spatial-temporal patterns across regions, significantly improving the representation of dynamic temporal correlations. Comprehensive experiments across multiple spatiotemporal mining tasks demonstrate that our framework outperforms state-of-the-art methods and robustly handles real-world urban data challenges, including noise and sparsity in both spatial and temporal dimensions.

Hao Wu, Fan Xu, Chong Chen et al.

In this paper, we investigate the challenge of spatio-temporal video prediction task, which involves generating future video frames based on historical spatio-temporal observation streams. Existing approaches typically utilize external information such as semantic maps to improve video prediction accuracy, which often neglect the inherent physical knowledge embedded within videos. Worse still, their high computational costs could impede their applications for high-resolution videos. To address these constraints, we introduce a novel framework called \underline{P}hysics-\underline{a}ssisted \underline{S}patio-\underline{t}emporal \underline{Net}work (PastNet) for high-quality video prediction. The core of PastNet lies in incorporating a spectral convolution operator in the Fourier domain, which efficiently introduces inductive biases from the underlying physical laws. Additionally, we employ a memory bank with the estimated intrinsic dimensionality to discretize local features during the processing of complex spatio-temporal signals, thereby reducing computational costs and facilitating efficient high-resolution video prediction. Extensive experiments on various widely-used spatio-temporal video benchmarks demonstrate the effectiveness and efficiency of the proposed PastNet compared with a range of state-of-the-art methods, particularly in high-resolution scenarios.

Bruce X. B. Yu, Jianlong Chang, Haixin Wang et al.

Fine-tuning visual models has been widely shown promising performance on many downstream visual tasks. With the surprising development of pre-trained visual foundation models, visual tuning jumped out of the standard modus operandi that fine-tunes the whole pre-trained model or just the fully connected layer. Instead, recent advances can achieve superior performance than full-tuning the whole pre-trained parameters by updating far fewer parameters, enabling edge devices and downstream applications to reuse the increasingly large foundation models deployed on the cloud. With the aim of helping researchers get the full picture and future directions of visual tuning, this survey characterizes a large and thoughtful selection of recent works, providing a systematic and comprehensive overview of existing work and models. Specifically, it provides a detailed background of visual tuning and categorizes recent visual tuning techniques into five groups: prompt tuning, adapter tuning, parameter tuning, and remapping tuning. Meanwhile, it offers some exciting research directions for prospective pre-training and various interactions in visual tuning.

Zhe Peng, Jinbin Huang, Haixin Wang et al.

The coronavirus disease 2019 (COVID-19) pandemic has caused an unprecedented health crisis for the global. Digital contact tracing, as a transmission intervention measure, has shown its effectiveness on pandemic control. Despite intensive research on digital contact tracing, existing solutions can hardly meet users' requirements on privacy and convenience. In this paper, we propose BU-Trace, a novel permissionless mobile system for privacy-preserving intelligent contact tracing based on QR code and NFC technologies. First, a user study is conducted to investigate and quantify the user acceptance of a mobile contact tracing system. Second, a decentralized system is proposed to enable contact tracing while protecting user privacy. Third, an intelligent behavior detection algorithm is designed to ease the use of our system. We implement BU-Trace and conduct extensive experiments in several real-world scenarios. The experimental results show that BU-Trace achieves a privacy-preserving and intelligent mobile system for contact tracing without requesting location or other privacy-related permissions.

Xiao Luo, Haixin Wang, Daqing Wu et al.

Nearest neighbor search aims to obtain the samples in the database with the smallest distances from them to the queries, which is a basic task in a range of fields, including computer vision and data mining. Hashing is one of the most widely used methods for its computational and storage efficiency. With the development of deep learning, deep hashing methods show more advantages than traditional methods. In this survey, we detailedly investigate current deep hashing algorithms including deep supervised hashing and deep unsupervised hashing. Specifically, we categorize deep supervised hashing methods into pairwise methods, ranking-based methods, pointwise methods as well as quantization according to how measuring the similarities of the learned hash codes. Moreover, deep unsupervised hashing is categorized into similarity reconstruction-based methods, pseudo-label-based methods and prediction-free self-supervised learning-based methods based on their semantic learning manners. We also introduce three related important topics including semi-supervised deep hashing, domain adaption deep hashing and multi-modal deep hashing. Meanwhile, we present some commonly used public datasets and the scheme to measure the performance of deep hashing algorithms. Finally, we discuss some potential research directions in conclusion.

Haixin Wang, Xingzhang Ren, Jinan Sun et al.

Random forest is widely exploited as an ensemble learning method. In many practical applications, however, there is still a significant challenge to learn from imbalanced data. To alleviate this limitation, we propose a deep dynamic boosted forest (DDBF), a novel ensemble algorithm that incorporates the notion of hard example mining into random forest. Specically, we propose to measure the quality of each leaf node of every decision tree in the random forest to determine hard examples. By iteratively training and then removing easy examples from training data, we evolve the random forest to focus on hard examples dynamically so as to balance the proportion of samples and learn decision boundaries better. Data can be cascaded through these random forests learned in each iteration in sequence to generate more accurate predictions. Our DDBF outperforms random forest on 5 UCI datasets, MNIST and SATIMAGE, and achieved state-of-the-art results compared to other deep models. Moreover, we show that DDBF is also a new way of sampling and can be very useful and efficient when learning from imbalanced data.