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This work proposes a Graph Neural Network (GNN) modeling approach to predict the resulting surface from a particle based fabrication process. The latter consists of spray-based printing of cementitious plaster on a wall and is facilitated…

Computational Engineering, Finance, and Science · Computer Science 2025-04-01 Diego Machain Rivera , Selen Ercan Jenny , Ping Hsun Tsai , Ena Lloret-Fritschi , Luis Salamanca , Fernando Perez-Cruz , Konstantinos E. Tatsis

Antiferromagnetic materials are exciting quantum materials with rich physics and great potential for applications. It is highly demanded of the accurate and efficient theoretical method for determining the critical transition temperatures,…

Materials Science · Physics 2022-06-13 Jian-Gang Kong , Qing-Xu Li , Jian Li , Yu Liu , Jia-Ji Zhu

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…

Computational Engineering, Finance, and Science · Computer Science 2025-08-27 Alireza Tabarraei , Saquib Ahmad Bhuiyan

With the explosive growth of online information, recommender systems play a key role to alleviate such information overload. Due to the important application value of recommender systems, there have always been emerging works in this field.…

Information Retrieval · Computer Science 2022-04-05 Shiwen Wu , Fei Sun , Wentao Zhang , Xu Xie , Bin Cui

Recommendation Systems are effective in managing the ever-increasing amount of multimodal data available today and help users discover interesting new items. These systems can handle various media types such as images, text, audio, and…

Machine Learning · Computer Science 2026-03-03 Haimonti Dutta , Pruthvi Moluguri , Jin Dai , Saurabh Amarnath Mahindre

Endowing robots with human-like physical reasoning abilities remains challenging. We argue that existing methods often disregard spatio-temporal relations and by using Graph Neural Networks (GNNs) that incorporate a relational inductive…

Machine Learning · Computer Science 2019-10-24 Fabio Ferreira , Lin Shao , Tamim Asfour , Jeannette Bohg

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

This paper presents an innovative method for predicting shape errors in 5-axis machining using graph neural networks. The graph structure is defined with nodes representing workpiece surface points and edges denoting the neighboring…

Systems and Control · Electrical Eng. & Systems 2024-12-20 Julia Huuk , Abheek Dhingra , Eirini Ntoutsi , Berend Denkena

Recent work has shown the potential of graph neural networks to efficiently predict material properties, enabling high-throughput screening of materials. Training these models, however, often requires large quantities of labelled data,…

Machine Learning · Computer Science 2022-11-28 Teddy Koker , Keegan Quigley , Will Spaeth , Nathan C. Frey , Lin Li

Algorithms for machine learning-guided design, or design algorithms, use machine learning-based predictions to propose novel objects with desired property values. Given a new design task -- for example, to design novel proteins with high…

Machine Learning · Computer Science 2025-07-04 Clara Fannjiang , Ji Won Park

Predictive coding is a message-passing framework initially developed to model information processing in the brain, and now also topic of research in machine learning due to some interesting properties. One of such properties is the natural…

Machine Learning · Computer Science 2022-12-12 Billy Byiringiro , Tommaso Salvatori , Thomas Lukasiewicz

Predictive modelling represents an emerging field that combines existing and novel methodologies aimed to rapidly understand physical mechanisms and concurrently develop new materials, processes and structures. In the current study,…

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

Machine learning on graph structured data has attracted much research interest due to its ubiquity in real world data. However, how to efficiently represent graph data in a general way is still an open problem. Traditional methods use…

Machine Learning · Computer Science 2019-11-14 Jiaqi Ma , Qiaozhu Mei

Graph neural networks, trained on experimental or calculated data are becoming an increasingly important tool in computational materials science. Networks, once trained, are able to make highly accurate predictions at a fraction of the cost…

Materials Science · Physics 2024-06-19 Johannes Allotey , Keith T. Butler , Jeyan Thiyagalingam

Time series prediction aims to predict future values to help stakeholders make proper strategic decisions. This problem is relevant in all industries and areas, ranging from financial data to demand to forecast. However, it remains…

Applications · Statistics 2020-09-09 Aleksandr Pletnev , Rodrigo Rivera-Castro , Evgeny Burnaev

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

The design and optimization of Printed Circuit Board (PCB) schematics is crucial for the development of high-quality electronic devices. Thereby, an important task is to optimize drafts by adding components that improve the robustness and…

Machine Learning · Computer Science 2025-06-13 Pascal Plettenberg , André Alcalde , Bernhard Sick , Josephine M. Thomas

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon