相关论文: Architectures of Topological Deep Learning: A Surv…

Topological deep learning (TDL) is a rapidly evolving field that uses topological features to understand and design deep learning models. This paper posits that TDL is the new frontier for relational learning. TDL may complement graph…

Topological deep learning (TDL) has emerged as a powerful tool for modeling higher-order interactions in relational data. However, phenomena such as oversquashing in topological message-passing remain understudied and lack theoretical…

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Topological Data Analysis (TDA) has emerged as a powerful framework for extracting robust, multiscale, and interpretable features from complex molecular data for artificial intelligence (AI) modeling and topological deep learning (TDL).…

Computer networks are the foundation of modern digital infrastructure, facilitating global communication and data exchange. As demand for reliable high-bandwidth connectivity grows, advanced network modeling techniques become increasingly…

Topological deep learning (TDL) is a rapidly growing field that seeks to leverage topological structure in data and facilitate learning from data supported on topological objects, ranging from molecules to 3D shapes. Most TDL architectures…

Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations for polymer property evaluation, are both expensive and…

The surge of data available on the Internet has driven the adoption of a wide range of computational methods for analyzing and extracting insights from large-scale data. Among these, Machine Learning (ML) has become a central paradigm,…

Complex prediction models such as deep learning are the output from fitting machine learning, neural networks, or AI models to a set of training data. These are now standard tools in science. A key challenge with the current generation of…

Recently, topological deep learning (TDL), which integrates algebraic topology with deep neural networks, has achieved tremendous success in processing point-cloud data, emerging as a promising paradigm in data science. However, TDL has not…

The increased availability of data and computing resources has enabled researchers to successfully adopt machine learning (ML) techniques and make significant contributions in several engineering areas. ML and in particular deep learning…

Protein engineering is experiencing a paradigmatic shift through the integration of geometric deep learning into computational design workflows. While traditional strategies, such as rational design and directed evolution, have enabled…

Topological Neural Networks (TNNs) incorporate higher-order relational information beyond pairwise interactions, enabling richer representations than Graph Neural Networks (GNNs). Concurrently, topological descriptors based on persistent…

Protein engineering is an emerging field in biotechnology that has the potential to revolutionize various areas, such as antibody design, drug discovery, food security, ecology, and more. However, the mutational space involved is too vast…

Graph neural networks excel at modeling pairwise interactions, but they cannot flexibly accommodate higher-order interactions and features. Topological deep learning (TDL) has emerged recently as a promising tool for addressing this issue.…

Graph Neural Networks (GNNs) effectively learn from relational data by leveraging graph symmetries. However, many real-world systems -- such as biological or social networks -- feature multi-way interactions that GNNs fail to capture.…

Deep learning has solved a problem that as little as five years ago was thought by many to be intractable - the automatic recognition of patterns in data; and it can do so with accuracy that often surpasses human beings. It has solved…

Topological deep learning is a rapidly growing field that pertains to the development of deep learning models for data supported on topological domains such as simplicial complexes, cell complexes, and hypergraphs, which generalize many…

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

With the growing adoption of AI-based systems across everyday life, the need to understand their decision-making mechanisms is correspondingly increasing. The level at which we can trust the statistical inferences made from AI-based…