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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…
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…
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.…
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…
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…
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,…
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…
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…
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…
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…
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…
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.…
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…
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…
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…
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…
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…
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…