Related papers: Learning Symbolic Expressions via Gumbel-Max Equat…

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Speech emotion recognition (SER) has been a popular research topic in human-computer interaction (HCI). As edge devices are rapidly springing up, applying SER to edge devices is promising for a huge number of HCI applications. Although deep…

Goal-conditioned reinforcement learning (GCRL) has a wide range of potential real-world applications, including manipulation and navigation problems in robotics. Especially in such robotics tasks, sample efficiency is of the utmost…

To improve the performance of Graph Neural Networks (GNNs), Graph Structure Learning (GSL) has been extensively applied to reconstruct or refine original graph structures, effectively addressing issues like heterophily, over-squashing, and…

Problems involving multiple networks are prevalent in many scientific and other domains. In particular, network alignment, or the task of identifying corresponding nodes in different networks, has applications across the social and natural…

Textual graphs (TGs) are graphs whose nodes correspond to text (sentences or documents), which are widely prevalent. The representation learning of TGs involves two stages: (i) unsupervised feature extraction and (ii) supervised graph…

A critical question about Large Language Models (LLMs) is whether their apparent deficiency in mathematical reasoning is inherent, or merely a result of insufficient exposure to high-quality mathematical data. To explore this, we developed…

Interatomic potentials learned using machine learning methods have been successfully applied to atomistic simulations. However, accurate models require large training datasets, while generating reference calculations is computationally…

De novo molecular design attempts to search over the chemical space for molecules with the desired property. Recently, deep learning has gained considerable attention as a promising approach to solve the problem. In this paper, we propose…

Graph neural networks (GNNs) have been extensively developed for graph representation learning in various application domains. However, similar to all other neural networks models, GNNs suffer from the black-box problem as people cannot…

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Symbolic Regression (SR) holds great potential for uncovering underlying mathematical and physical relationships from observed data. However, the vast combinatorial space of possible expressions poses significant challenges for both online…

Symbolic Regression (SR) holds great potential for uncovering underlying mathematical and physical relationships from observed data. However, the vast combinatorial space of possible expressions poses significant challenges for both online…

Symbolic regression (SR) is an area of interpretable machine learning that aims to identify mathematical expressions, often composed of simple functions, that best fit in a given set of covariates $X$ and response $y$. In recent years, deep…

Graph Neural Networks (GNNs) are well-suited for learning on homophilous graphs, i.e., graphs in which edges tend to connect nodes of the same type. Yet, achievement of consistent GNN performance on heterophilous graphs remains an open…

The performance analytics domain in High Performance Computing (HPC) uses tabular data to solve regression problems, such as predicting the execution time. Existing Machine Learning (ML) techniques leverage the correlations among features…

Graph Neural Networks (GNNs) excel in handling graph-structured data but often underperform in link prediction tasks compared to classical methods, mainly due to the limitations of the commonly used message-passing principle. Notably, their…

We develop a theoretical framework that explains how discrete symbolic structures can emerge naturally from continuous neural network training dynamics. By lifting neural parameters to a measure space and modeling training as Wasserstein…

Currently, most Graph Structure Learning (GSL) methods, as a means of learning graph structure, improve the robustness of GNN merely from a local view by considering the local information related to each edge and indiscriminately applying…

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…