Related papers: Boosting Sample Efficiency and Generalization in M…
Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of…
Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model…
Coordinating large populations of interacting agents is a central challenge in multi-agent reinforcement learning (MARL), where the size of the joint state-action space scales exponentially with the number of agents. Mean-field methods…
GAIL is a recent successful imitation learning architecture that exploits the adversarial training procedure introduced in GANs. Albeit successful at generating behaviours similar to those demonstrated to the agent, GAIL suffers from a high…
We formulate an XAI-based model improvement approach for Graph Neural Networks (GNNs) for node classification, called Explanation Enhanced Graph Learning (EEGL). The goal is to improve predictive performance of GNN using explanations. EEGL…
Multi-Agent Reinforcement Learning (MARL) is a promising area of research that can model and control multiple, autonomous decision-making agents. During online training, MARL algorithms involve performance-intensive computations such as…
Equivariant neural networks encode the intrinsic symmetry of data as an inductive bias, which has achieved impressive performance in wide domains. However, the understanding to their expressive power remains premature. Focusing on 2-layer…
Graph neural networks (GNN) have recently emerged as a vehicle for applying deep network architectures to graph and relational data. However, given the increasing size of industrial datasets, in many practical situations the message passing…
Equivariant neural networks (ENNs) are graph neural networks embedded in $\mathbb{R}^3$ and are well suited for predicting molecular properties. The ENN library e3nn has customizable convolutions, which can be designed to depend only on…
Graph neural networks (GNNs) have demonstrated significant success in various applications, such as node classification, link prediction, and graph classification. Active learning for GNNs aims to query the valuable samples from the…
Many scientific and geometric problems exhibit general linear symmetries, yet most equivariant neural networks are built for compact groups or simple vector features, limiting their reuse on matrix-valued data such as covariances, inertias,…
\textit{Graph neural networks} (GNNs) are effective models for many dynamical systems consisting of entities and relations. Although most GNN applications assume a single type of entity and relation, many situations involve multiple types…
Over recent years, deep reinforcement learning has shown strong successes in complex single-agent tasks, and more recently this approach has also been applied to multi-agent domains. In this paper, we propose a novel approach, called…
This paper presents a novel method for autonomously enhancing deep neural network training. My approach employs an Evaluation Neural Network (ENN) trained via deep reinforcement learning to predict the performance of the target network. The…
Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…
Entity alignment (EA) which links equivalent entities across different knowledge graphs (KGs) plays a crucial role in knowledge fusion. In recent years, graph neural networks (GNNs) have been successfully applied in many embedding-based EA…
The modeling of turbulent flows is critical to scientific and engineering problems ranging from aircraft design to weather forecasting and climate prediction. Over the last sixty years numerous turbulence models have been proposed, largely…
Deep Reinforcement Learning has made significant progress in multi-agent systems in recent years. In this review article, we have focused on presenting recent approaches on Multi-Agent Reinforcement Learning (MARL) algorithms. In…
In the evolving field of psychopathology, the accurate assessment and forecasting of data derived from Ecological Momentary Assessment (EMA) is crucial. EMA offers contextually-rich psychopathological measurements over time, that…
Molecular Graph Neural Networks (GNNs) are increasingly common in drug discovery, particularly for Quantitative Structure-Activity Relationship (QSAR) studies; yet, their superiority compared to classical molecular featurisation approaches…