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We propose a new class of Bayesian neural networks (BNNs) that can be trained using noisy data of variable fidelity, and we apply them to learn function approximations as well as to solve inverse problems based on partial differential…

Machine Learning · Computer Science 2021-06-02 Xuhui Meng , Hessam Babaee , George Em Karniadakis

The rapid development of deep learning (DL) has driven single image super-resolution (SR) into a new era. However, in most existing DL based image SR networks, the information flows are solely feedforward, and the high-level features cannot…

Computer Vision and Pattern Recognition · Computer Science 2019-07-11 Qilei Li , Zhen Li , Lu Lu , Gwanggil Jeon , Kai Liu , Xiaomin Yang

Graph neural networks (GNNs) naturally align with sparse operators and unstructured discretizations, making them a promising paradigm for physics-informed machine learning in computational mechanics. Motivated by discrete physics losses and…

Machine Learning · Computer Science 2026-02-10 Jianchuan Yang , Xi Chen , Jidong Zhao

The potential of neural networks (NN) in engineering is rooted in their capacity to understand intricate patterns and complex systems, leveraging their universal nonlinear approximation capabilities and high expressivity. Meanwhile,…

Computational Engineering, Finance, and Science · Computer Science 2025-01-23 Mohammed Abda , Elsa Piollet , Christopher Blake , Frédérick P. Gosselin

Deep Neural Networks (DNNs) are widely used for their ability to effectively approximate large classes of functions. This flexibility, however, makes the strict enforcement of constraints on DNNs an open problem. Here we present a framework…

Machine Learning · Computer Science 2023-02-10 Eric Marcus , Ray Sheombarsing , Jan-Jakob Sonke , Jonas Teuwen

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in…

Machine Learning · Statistics 2024-01-31 Ilyes Batatia , Lars L. Schaaf , Huajie Chen , Gábor Csányi , Christoph Ortner , Felix A. Faber

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

The mean field algorithm is a widely used approximate inference algorithm for graphical models whose exact inference is intractable. In each iteration of mean field, the approximate marginals for each variable are updated by getting…

Machine Learning · Computer Science 2014-10-23 Yujia Li , Richard Zemel

Graph Neural Networks (GNNs) are popular for graph machine learning and have shown great results on wide node classification tasks. Yet, they are less popular for practical deployments in the industry owing to their scalability challenges…

Machine Learning · Computer Science 2022-03-24 Shichang Zhang , Yozen Liu , Yizhou Sun , Neil Shah

Social financial technology focuses on trust, sustainability, and social responsibility, which require advanced technologies to address complex financial tasks in the digital era. With the rapid growth in online transactions, automating…

Multifidelity models integrate data from multiple sources to produce a single approximator for the underlying process. Dense low-fidelity samples are used to reduce interpolation error, while sparse high-fidelity samples are used to…

Machine Learning · Statistics 2024-02-27 Viv Bone , Chris van der Heide , Kieran Mackle , Ingo H. J. Jahn , Peter M. Dower , Chris Manzie

User modeling plays a fundamental role in industrial recommender systems, either in the matching stage and the ranking stage, in terms of both the customer experience and business revenue. How to extract users' multiple interests…

Information Retrieval · Computer Science 2021-12-07 Jiaxuan Xie , Jianxiong Wei , Qingsong Hua , Yu Zhang

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

Materials Science · Physics 2021-09-28 Sadman Sadeed Omee , Steph-Yves Louis , Nihang Fu , Lai Wei , Sourin Dey , Rongzhi Dong , Qinyang Li , Jianjun Hu

Traditional simulation of complex mechanical systems relies on numerical solvers of Partial Differential Equations (PDEs), e.g., using the Finite Element Method (FEM). The FEM solvers frequently suffer from intensive computation cost and…

Machine Learning · Computer Science 2024-09-10 Fu Lin , Jiasheng Shi , Shijie Luo , Qinpei Zhao , Weixiong Rao , Lei Chen

Graph Neural Networks (GNNs) are a broad class of connectionist models for graph processing. Recent studies have shown that GNNs can approximate any function on graphs, modulo the equivalence relation on graphs defined by the…

Machine Learning · Computer Science 2024-08-21 Giuseppe Alessio D'Inverno , Monica Bianchini , Maria Lucia Sampoli , Franco Scarselli

Graph neural networks (GNNs) have emerged as powerful surrogates for mesh-based computational fluid dynamics (CFD), but training them on high-resolution unstructured meshes with hundreds of thousands of nodes remains prohibitively…

Machine Learning · Computer Science 2025-09-17 Paul Garnier , Vincent Lannelongue , Elie Hachem

Accurately characterizing non-linear functional manifolds with singularities is a fundamental challenge in scientific computing. While Multi-Layer Perceptrons (MLPs) dominate, their spectral bias hinders resolving high-curvature features…

Machine Learning · Computer Science 2026-03-24 Chao Wang , Xuancheng Zhou , Ruilin Hou , Xiaoyu Cheng , Ruiyi Ding

We explore unique considerations involved in fitting ML models to data with very high precision, as is often required for science applications. We empirically compare various function approximation methods and study how they scale with…

Machine Learning · Computer Science 2023-02-01 Eric J. Michaud , Ziming Liu , Max Tegmark

Maximum mean discrepancy (MMD) has been successfully applied to learn deep generative models for characterizing a joint distribution of variables via kernel mean embedding. In this paper, we present conditional generative moment- matching…

Machine Learning · Computer Science 2016-06-15 Yong Ren , Jialian Li , Yucen Luo , Jun Zhu

Machine learning (ML) has been increasingly applied in concrete research to optimize performance and mixture design. However, one major challenge in applying ML to cementitious materials is the limited size and diversity of available…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Mahmuda Sharmin , Taihao Han , Jie Huang , Narayanan Neithalath , Gaurav Sant , Aditya Kumar