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Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such…

机器学习 · 计算机科学 2024-06-25 Tianlang Chen , Shengjie Luo , Di He , Shuxin Zheng , Tie-Yan Liu , Liwei Wang

We propose a VAE for Transformers by developing a variational information bottleneck regulariser for Transformer embeddings. We formalise the embedding space of Transformer encoders as mixture probability distributions, and use Bayesian…

机器学习 · 计算机科学 2022-08-15 James Henderson , Fabio Fehr

Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data. However, most of the existing methods are focused on classification tasks using images and language datasets.…

人工智能 · 计算机科学 2025-06-16 Sung Moon Ko , Sumin Lee , Dae-Woong Jeong , Woohyung Lim , Sehui Han

Cross-domain panoramic semantic segmentation has attracted growing interest as it enables comprehensive 360{\deg} scene understanding for real-world applications. However, it remains particularly challenging due to severe geometric Field of…

计算机视觉与模式识别 · 计算机科学 2026-03-17 Yuanfan Zheng , Kunyu Peng , Xu Zheng , Kailun Yang

Brain MRI foundation models learn rich representations of anatomy, but interpreting what clinical information they encode remains an open problem. Standard sparse autoencoders (SAEs) suffer from severe feature collapse in deep transformer…

计算机视觉与模式识别 · 计算机科学 2026-05-05 Favour Nerrise , Lucy Yin , Mohammad H. Abbasi , Kilian M. Pohl , Ehsan Adeli

Simultaneous recordings from thousands of neurons across multiple brain areas reveal rich mixtures of activity that are shared between regions and dynamics that are unique to each region. Existing alignment or multi-view methods neglect…

Physics-aware driving world model is essential for drive planning, out-of-distribution data synthesis, and closed-loop evaluation. However, existing methods often rely on a single diffusion model to directly map driving actions to videos,…

计算机视觉与模式识别 · 计算机科学 2025-12-16 Zhenya Yang , Zhe Liu , Yuxiang Lu , Liping Hou , Chenxuan Miao , Siyi Peng , Bailan Feng , Xiang Bai , Hengshuang Zhao

In this work, we address the problem of cross-view geo-localization, which estimates the geospatial location of a street view image by matching it with a database of geo-tagged aerial images. The cross-view matching task is extremely…

计算机视觉与模式识别 · 计算机科学 2021-07-06 Hongji Yang , Xiufan Lu , Yingying Zhu

Vision Transformer and its variants have demonstrated great potential in various computer vision tasks. But conventional vision transformers often focus on global dependency at a coarse level, which suffer from a learning challenge on…

计算机视觉与模式识别 · 计算机科学 2022-09-07 Yunhao Wang , Huixin Sun , Xiaodi Wang , Bin Zhang , Chao Li , Ying Xin , Baochang Zhang , Errui Ding , Shumin Han

Recently, radical progress in machine learning (ML) has revolutionized computational materials science, enabling unprecedentedly rapid materials discovery and property prediction, but the quantum many-body problem -- which is the key to…

材料科学 · 物理学 2025-07-09 Bowen Hou , Xian Xu , Jinyuan Wu , Diana Y. Qiu

LiDAR-based 3D detection has made great progress in recent years. However, the performance of 3D detectors is considerably limited when deployed in unseen environments, owing to the severe domain gap problem. Existing domain adaptive 3D…

计算机视觉与模式识别 · 计算机科学 2023-08-17 Ziyu Li , Jingming Guo , Tongtong Cao , Liu Bingbing , Wankou Yang

Current approaches using sequential networks have shown promise in estimating field variables for dynamical systems, but they are often limited by high rollout errors. The unresolved issue of rollout error accumulation results in unreliable…

机器学习 · 计算机科学 2024-10-31 Parsa Esmati , Amirhossein Dadashzadeh , Vahid Goodarzi , Nicolas Larrosa , Nicolò Grilli

In healthcare, medical image segmentation is crucial for accurate disease diagnosis and the development of effective treatment strategies. Early detection can significantly aid in managing diseases and potentially prevent their progression.…

计算机视觉与模式识别 · 计算机科学 2024-09-04 Bobby Azad , Pourya Adibfar , Kaiqun Fu

The neural operator (NO) framework has emerged as a powerful tool for solving partial differential equations (PDEs). Recent NOs are dominated by the Transformer architecture, which offers NOs the capability to capture long-range…

机器学习 · 计算机科学 2025-05-20 Xi Han , Jingwei Zhang , Dimitris Samaras , Fei Hou , Hong Qin

Traffic accident prediction is crucial for enhancing road safety and mitigating congestion, and recent Graph Neural Networks (GNNs) have shown promise in modeling the inherent graph-based traffic data. However, existing GNN- based…

机器学习 · 计算机科学 2024-12-05 Xiangyu Jiang , Xiwen Chen , Hao Wang , Abolfazl Razi

Existing neural operator architectures face challenges when solving multiphysics problems with coupled partial differential equations (PDEs) due to complex geometries, interactions between physical variables, and the limited amounts of…

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical…

机器学习 · 计算机科学 2026-05-05 Paul Garnier , Vincent Lannelongue , Elie Hachem

In recent years, transformer structures have been widely applied in image captioning with impressive performance. For good captioning results, the geometry and position relations of different visual objects are often thought of as crucial…

计算机视觉与模式识别 · 计算机科学 2021-10-04 Chi Wang , Yulin Shen , Luping Ji

Neural operator learning accelerates PDE solution by approximating operators as mappings between continuous function spaces. Yet in many engineering settings, varying geometry induces discrete structural changes, including topological…

机器学习 · 计算机科学 2026-03-04 Jinshuai Bai , Haolin Li , Zahra Sharif Khodaei , M. H. Aliabadi , YuanTong Gu , Xi-Qiao Feng

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and…

机器学习 · 计算机科学 2025-07-03 Yaohua Zang , Phaedon-Stelios Koutsourelakis