Yucheng Wang

Xuan Zhang, Limei Wang, Jacob Helwig et al. · cambridge, mit

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

Wei Xu, Cheng Wang, Dingkang Liang et al.

Underwater exploration offers critical insights into our planet and attracts increasing attention for its broader applications in resource exploration, national security, etc. We study the underwater scene understanding methods, which aim to achieve automated underwater exploration. The underwater scene understanding task demands multi-task perceptions from multiple granularities. However, the absence of large-scale underwater multi-task instruction-tuning datasets hinders the progress of this research. To bridge this gap, we construct NautData, a dataset containing 1.45 M image-text pairs supporting eight underwater scene understanding tasks. It enables the development and thorough evaluation of the underwater scene understanding models. Underwater image degradation is a widely recognized challenge that interferes with underwater tasks. To improve the robustness of underwater scene understanding, we introduce physical priors derived from underwater imaging models and propose a plug-and-play vision feature enhancement (VFE) module, which explicitly restores clear underwater information. We integrate this module into renowned baselines LLaVA-1.5 and Qwen2.5-VL and build our underwater LMM, NAUTILUS. Experiments conducted on the NautData and public underwater datasets demonstrate the effectiveness of the VFE module, consistently improving the performance of both baselines on the majority of supported tasks, thus ensuring the superiority of NAUTILUS in the underwater scene understanding area. Data and models are available at https://github.com/H-EmbodVis/NAUTILUS.

Shangqing Tu, Yucheng Wang, Daniel Zhang-Li et al. · tsinghua

Existing Large Vision-Language Models (LVLMs) can process inputs with context lengths up to 128k visual and text tokens, yet they struggle to generate coherent outputs beyond 1,000 words. We find that the primary limitation is the absence of long output examples during supervised fine-tuning (SFT). To tackle this issue, we introduce LongWriter-V-22k, a SFT dataset comprising 22,158 examples, each with multiple input images, an instruction, and corresponding outputs ranging from 0 to 10,000 words. Moreover, to achieve long outputs that maintain high-fidelity to the input images, we employ Direct Preference Optimization (DPO) to the SFT model. Given the high cost of collecting human feedback for lengthy outputs (e.g., 3,000 words), we propose IterDPO, which breaks long outputs into segments and uses iterative corrections to form preference pairs with the original outputs. Additionally, we develop MMLongBench-Write, a benchmark featuring six tasks to evaluate the long-generation capabilities of VLMs. Our 7B parameter model, trained with LongWriter-V-22k and IterDPO, achieves impressive performance on this benchmark, outperforming larger proprietary models like GPT-4o. Code and data: https://github.com/THU-KEG/LongWriter-V

Jianyu Liu, Hangyu Guo, Ranjie Duan et al.

Multimodal Large Language Models (MLLMs) pose unique safety challenges due to their integration of visual and textual data, thereby introducing new dimensions of potential attacks and complex risk combinations. In this paper, we begin with a detailed analysis aimed at disentangling risks through step-by-step reasoning within multimodal inputs. We find that systematic multimodal risk disentanglement substantially enhances the risk awareness of MLLMs. Via leveraging the strong discriminative abilities of multimodal risk disentanglement, we further introduce \textbf{DREAM} (\textit{\textbf{D}isentangling \textbf{R}isks to \textbf{E}nhance Safety \textbf{A}lignment in \textbf{M}LLMs}), a novel approach that enhances safety alignment in MLLMs through supervised fine-tuning and iterative Reinforcement Learning from AI Feedback (RLAIF). Experimental results show that DREAM significantly boosts safety during both inference and training phases without compromising performance on normal tasks (namely oversafety), achieving a 16.17\% improvement in the SIUO safe\&effective score compared to GPT-4V. The data and code are available at https://github.com/Kizna1ver/DREAM.

Stephan Goerttler, Yucheng Wang, Emadeldeen Eldele et al.

Recent advancements in machine learning-based signal analysis, coupled with open data initiatives, have fuelled efforts in automatic sleep stage classification. Despite the proliferation of classification models, few have prioritised reducing model complexity, which is a crucial factor for practical applications. In this work, we introduce Multi-Scale and Attention Convolutional Neural Network (MSA-CNN), a lightweight architecture featuring as few as ~10,000 parameters. MSA-CNN leverages a novel multi-scale module employing complementary pooling to eliminate redundant filter parameters and dense convolutions. Model complexity is further reduced by separating temporal and spatial feature extraction and using cost-effective global spatial convolutions. This separation of tasks not only reduces model complexity but also mirrors the approach used by human experts in sleep stage scoring. We evaluated both small and large configurations of MSA-CNN against nine state-of-the-art baseline models across three public datasets, treating univariate and multivariate models separately. Our evaluation, based on repeated cross-validation and re-evaluation of all baseline models, demonstrated that the large MSA-CNN outperformed all baseline models on all three datasets in terms of accuracy and Cohen's kappa, despite its significantly reduced parameter count. Lastly, we explored various model variants and conducted an in-depth analysis of the key modules and techniques, providing deeper insights into the underlying mechanisms. The code for our models, baselines, and evaluation procedures is available at https://github.com/sgoerttler/MSA-CNN.

Yanru Sun, Emadeldeen Eldele, Zongxia Xie et al.

Large Language Models (LLMs) have recently demonstrated impressive capabilities in natural language processing due to their strong generalization and sequence modeling capabilities. However, their direct application to time series forecasting remains challenging due to two fundamental issues: the inherent heterogeneity of temporal patterns and the modality gap between continuous numerical signals and discrete language representations. In this work, we propose TALON, a unified framework that enhances LLM-based forecasting by modeling temporal heterogeneity and enforcing semantic alignment. Specifically, we design a Heterogeneous Temporal Encoder that partitions multivariate time series into structurally coherent segments, enabling localized expert modeling across diverse temporal patterns. To bridge the modality gap, we introduce a Semantic Alignment Module that aligns temporal features with LLM-compatible representations, enabling effective integration of time series into language-based models while eliminating the need for handcrafted prompts during inference. Extensive experiments on seven real-world benchmarks demonstrate that TALON achieves superior performance across all datasets, with average MSE improvements of up to 11\% over recent state-of-the-art methods. These results underscore the effectiveness of incorporating both pattern-aware and semantic-aware designs when adapting LLMs for time series forecasting. The code is available at: https://github.com/syrGitHub/TALON.

Yucheng Wang, Dan Xu

Audio-driven talking head generation is critical for applications such as virtual assistants, video games, and films, where natural lip movements are essential. Despite progress in this field, challenges remain in producing both consistent and realistic facial animations. Existing methods, often based on GANs or UNet-based diffusion models, face three major limitations: (i) temporal jittering caused by weak temporal constraints, resulting in frame inconsistencies; (ii) identity drift due to insufficient 3D information extraction, leading to poor preservation of facial identity; and (iii) unnatural blinking behavior due to inadequate modeling of realistic blink dynamics. To address these issues, we propose MoDiT, a novel framework that combines the 3D Morphable Model (3DMM) with a Diffusion-based Transformer. Our contributions include: (i) A hierarchical denoising strategy with revised temporal attention and biased self/cross-attention mechanisms, enabling the model to refine lip synchronization and progressively enhance full-face coherence, effectively mitigating temporal jittering. (ii) The integration of 3DMM coefficients to provide explicit spatial constraints, ensuring accurate 3D-informed optical flow prediction and improved lip synchronization using Wav2Lip results, thereby preserving identity consistency. (iii) A refined blinking strategy to model natural eye movements, with smoother and more realistic blinking behaviors.

Xiaoshui Huang, Zongyi Xu, Guofeng Mei et al.

Accurate and efficient point cloud registration is a challenge because the noise and a large number of points impact the correspondence search. This challenge is still a remaining research problem since most of the existing methods rely on correspondence search. To solve this challenge, we propose a new data-driven registration algorithm by investigating deep generative neural networks to point cloud registration. Given two point clouds, the motivation is to generate the aligned point clouds directly, which is very useful in many applications like 3D matching and search. We design an end-to-end generative neural network for aligned point clouds generation to achieve this motivation, containing three novel components. Firstly, a point multi-perception layer (MLP) mixer (PointMixer) network is proposed to efficiently maintain both the global and local structure information at multiple levels from the self point clouds. Secondly, a feature interaction module is proposed to fuse information from cross point clouds. Thirdly, a parallel and differential sample consensus method is proposed to calculate the transformation matrix of the input point clouds based on the generated registration results. The proposed generative neural network is trained in a GAN framework by maintaining the data distribution and structure similarity. The experiments on both ModelNet40 and 7Scene datasets demonstrate that the proposed algorithm achieves state-of-the-art accuracy and efficiency. Notably, our method reduces $2\times$ in registration error (CD) and $12\times$ running time compared to the state-of-the-art correspondence-based algorithm.