相关论文: AtomSurf : Surface Representation for Learning on …

Researchers have now achieved great success on dealing with 2D images using deep learning. In recent years, 3D computer vision and Geometry Deep Learning gain more and more attention. Many advanced techniques for 3D shapes have been…

Learning structures of 3D shapes is a fundamental problem in the field of computer graphics and geometry processing. We present a simple yet interpretable unsupervised method for learning a new structural representation in the form of 3D…

We propose a new method for embedding graphs while preserving directed edge information. Learning such continuous-space vector representations (or embeddings) of nodes in a graph is an important first step for using network information…

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing…

A key step in any scanning-based asset creation workflow is to convert unordered point clouds to a surface. Classical methods (e.g., Poisson reconstruction) start to degrade in the presence of noisy and partial scans. Hence, deep learning…

Automated surface-anomaly detection using machine learning has become an interesting and promising area of research, with a very high and direct impact on the application domain of visual inspection. Deep-learning methods have become the…

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared…

Many algorithms for surface registration risk producing significant errors if surfaces are significantly nonisometric. Manifold learning has been shown to be effective at improving registration quality, using information from an entire…

The standard approach to representation learning on attributed graphs -- i.e., simultaneously reconstructing node attributes and graph structure -- is geometrically flawed, as it merges two potentially incompatible metric spaces. This…

Deep learning has become a crucial tool in studying proteins. While the significance of modeling protein structure has been discussed extensively in the literature, amino acid types are typically included in the input as a default operation…

Understanding the dynamic nature of protein structures is essential for comprehending their biological functions. While significant progress has been made in predicting static folded structures, modeling protein motions on microsecond to…

Despite an explosion in the number of experimentally determined, atomically detailed structures of biomolecules, many critical tasks in structural biology remain data-limited. Whether performance in such tasks can be improved by using large…

Protein representation learning is critical in various tasks in biology, such as drug design and protein structure or function prediction, which has primarily benefited from protein language models and graph neural networks. These models…

Molecular representation learning has attracted much attention recently. A molecule can be viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be represented by a 3D conformation with 3-dimensional coordinates of…

This paper explores the problem of reconstructing temporally consistent surfaces from a 3D point cloud sequence without correspondence. To address this challenging task, we propose DynoSurf, an unsupervised learning framework integrating a…

The pretraining-finetuning paradigm has powered major advances in domains such as natural language processing and computer vision, with representative examples including masked language modeling and next-token prediction. In molecular…

This paper introduces GeoMorph, a novel geometric deep-learning framework designed for image registration of cortical surfaces. The registration process consists of two main steps. First, independent feature extraction is performed on each…

Neural representations of 3D data have been widely adopted across various applications, particularly in recent work leveraging coordinate-based networks to model scalar or vector fields. However, these approaches face inherent challenges,…