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Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

计算物理 · 物理学 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Pressure and flow estimation in Water Distribution Networks (WDN) allows water management companies to optimize their control operations. For many years, mathematical simulation tools have been the most common approach to reconstructing an…

机器学习 · 计算机科学 2024-07-11 Huy Truong , Andrés Tello , Alexander Lazovik , Victoria Degeler

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

机器学习 · 统计学 2024-01-10 Jase Clarkson

Network modeling is a key enabler to achieve efficient network operation in future self-driving Software-Defined Networks. However, we still lack functional network models able to produce accurate predictions of Key Performance Indicators…

网络与互联网体系结构 · 计算机科学 2021-06-15 Krzysztof Rusek , José Suárez-Varela , Paul Almasan , Pere Barlet-Ros , Albert Cabellos-Aparicio

Automatic building extraction from optical imagery remains a challenge due to, for example, the complexity of building shapes. Semantic segmentation is an efficient approach for this task. The latest development in deep convolutional neural…

计算机视觉与模式识别 · 计算机科学 2019-11-11 Yilei Shi , Qingyu Li , Xiao Xiang Zhu

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

机器学习 · 计算机科学 2024-11-01 Federico Nardi , Jinpei Han , Shlomi Haar , A. Aldo Faisal

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…

材料科学 · 物理学 2023-05-24 Nicolas Bertin , Fei Zhou

Simulating the complex interactions between soft tissues and rigid anatomy is critical for applications in surgical training, planning, and robotic-assisted interventions. Traditional Finite Element Method (FEM)-based simulations, while…

机器人学 · 计算机科学 2025-08-05 Xintian Yuan , Yunke Ao , Boqi Chen , Philipp Fuernstahl

This paper addresses the limitations of multi-node perception and delayed scheduling response in distributed systems by proposing a GNN-based multi-node collaborative perception mechanism. The system is modeled as a graph structure.…

机器学习 · 计算机科学 2025-05-23 Wenxuan Zhu , Qiyuan Wu , Tengda Tang , Renzi Meng , Sheng Chai , Xuehui Quan

Signed graphs allow for encoding positive and negative relations between nodes and are used to model various online activities. Node representation learning for signed graphs is a well-studied task with important applications such as sign…

机器学习 · 计算机科学 2024-12-19 Andrin Rehmann , Alexandre Bovet

This paper presents a machine learning-based framework for topology optimization of self-supporting structures, specifically tailored for additive manufacturing (AM). By employing a graph neural network (GNN) that acts as a neural field…

计算工程、金融与科学 · 计算机科学 2025-08-27 Alireza Tabarraei , Saquib Ahmad Bhuiyan

We present a novel, and effective, approach to achieve optimal mesh relocation in finite element methods (FEMs). The cost and accuracy of FEMs is critically dependent on the choice of mesh points. Mesh relocation (r-adaptivity) seeks to…

Graph neural networks (GNN) represent an emerging line of deep learning models that operate on graph structures. It is becoming more and more popular due to its high accuracy achieved in many graph-related tasks. However, GNN is not as well…

硬件体系结构 · 计算机科学 2021-12-28 Zhihui Zhang , Jingwen Leng , Lingxiao Ma , Youshan Miao , Chao Li , Minyi Guo

In robotics, it's crucial to understand object deformation during tactile interactions. A precise understanding of deformation can elevate robotic simulations and have broad implications across different industries. We introduce a method…

计算机视觉与模式识别 · 计算机科学 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari

Graph structural information such as topologies or connectivities provides valuable guidance for graph convolutional networks (GCNs) to learn nodes' representations. Existing GCN models that capture nodes' structural information weight in-…

机器学习 · 计算机科学 2021-07-22 Yunxiang Zhao , Jianzhong Qi , Qingwei Liu , Rui Zhang

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

机器学习 · 计算机科学 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

We propose a learning framework to find the representation of a robot's kinematic structure and motion embedding spaces using graph neural networks (GNN). Finding a compact and low-dimensional embedding space for complex phenomena is a key…

机器人学 · 计算机科学 2023-02-01 J. Taery Kim , Jeongeun Park , Sungjoon Choi , Sehoon Ha

Accurate real-time modeling of multi-body dynamical systems is essential for enabling digital twin applications across industries. While many data-driven approaches aim to learn system dynamics, jointly predicting internal loads and system…

机器学习 · 计算机科学 2025-11-20 Vinay Sharma , Rémi Tanguy Oddon , Pietro Tesini , Jens Ravesloot , Cees Taal , Olga Fink

Finite element modeling is a well-established tool for structural analysis, yet modeling complex structures often requires extensive pre-processing, significant analysis effort, and considerable time. This study addresses this challenge by…

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

机器学习 · 计算机科学 2023-10-31 Andi Han , Dai Shi , Lequan Lin , Junbin Gao