相关论文: Quantized SO(3)-Equivariant Graph Neural Networks …

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

Invariance and equivariance to the rotation group have been widely discussed in the 3D deep learning community for pointclouds. Yet most proposed methods either use complex mathematical tools that may limit their accessibility, or are tied…

In this paper, we develop SE3Set, an SE(3) equivariant hypergraph neural network architecture tailored for advanced molecular representation learning. Hypergraphs are not merely an extension of traditional graphs; they are pivotal for…

Neural networks that are equivariant to rotations, translations, reflections, and permutations on n-dimensional geometric space have shown promise in physical modeling for tasks such as accurately but inexpensively modeling complex…

In recent years Deep Neural Networks (DNNs) have been rapidly developed in various applications, together with increasingly complex architectures. The performance gain of these DNNs generally comes with high computational costs and large…

Recent advances in deep learning and Transformers have driven major breakthroughs in robotics by employing techniques such as imitation learning, reinforcement learning, and LLM-based multimodal perception and decision-making. However,…

Recent advances in Graph Neural Networks (GNNs) have explored the potential of random noise as an input feature to enhance expressivity across diverse tasks. However, naively incorporating noise can degrade performance, while architectures…

Deep neural networks have been proven to be highly effective tools in various domains, yet their computational and memory costs restrict them from being widely deployed on portable devices. The recent rapid increase of edge computing…

The intensive computation and memory requirements of generative adversarial neural networks (GANs) hinder its real-world deployment on edge devices such as smartphones. Despite the success in model reduction of CNNs, neural network…

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…

Quantized Neural Networks (QNNs) are often used to improve network efficiency during the inference phase, i.e. after the network has been trained. Extensive research in the field suggests many different quantization schemes. Still, the…

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize the model from few samples, GNN usually…

Graph Neural Networks (GNNs) are neural networks that aim to process graph data, capturing the relationships and interactions between nodes using the message-passing mechanism. GNN quantization has emerged as a promising approach for…

Invariance under symmetry is an important problem in machine learning. Our paper looks specifically at equivariant neural networks where transformations of inputs yield homomorphic transformations of outputs. Here, steerable CNNs have…

As graph data size increases, the vast latency and memory consumption during inference pose a significant challenge to the real-world deployment of Graph Neural Networks (GNNs). While quantization is a powerful approach to reducing GNNs…

Pretraining molecular representation models without labels is fundamental to various applications. Conventional methods mainly process 2D molecular graphs and focus solely on 2D tasks, making their pretrained models incapable of…

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Point cloud normal estimation is a fundamental task in 3D geometry processing. While recent learning-based methods achieve notable advancements in normal prediction, they often overlook the critical aspect of equivariance. This results in…