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Surrogate models for the rapid inference of nonlinear boundary value problems in mechanics are helpful in a broad range of engineering applications. However, effective surrogate modeling of applications involving the contact of deformable…

计算工程、金融与科学 · 计算机科学 2025-07-21 Vijay K. Dubey , Collin E. Haese , Osman Gültekin , David Dalton , Manuel K. Rausch , Jan N. Fuhg

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

机器学习 · 计算机科学 2025-09-26 Dibyajyoti Nayak , Somdatta Goswami

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Representing graph data in a low-dimensional space for subsequent tasks is the purpose of attributed graph embedding. Most existing neural network approaches learn latent representations by minimizing reconstruction errors. Rare work…

机器学习 · 计算机科学 2024-01-15 Bozhen Hu , Zelin Zang , Jun Xia , Lirong Wu , Cheng Tan , Stan Z. Li

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

机器学习 · 计算机科学 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

Bayesian optimization (BO) is a widely used method for data-driven optimization that generally relies on zeroth-order data of objective function to construct probabilistic surrogate models. These surrogates guide the…

机器学习 · 计算机科学 2025-08-08 Georgios Makrygiorgos , Joshua Hang Sai Ip , Ali Mesbah

Surrogate model can replace the parametric full-order model (FOM) by an approximation model, which can significantly improve the efficiency of optimization design and reduce the complexity of engineering systems. However, due to limitations…

流体动力学 · 物理学 2025-03-18 Xu Wang , Ruiqi Huang , Jiaqing Kou , Hui Tang , Weiwei Zhang

Bayesian optimization (BO) is a powerful framework for optimizing expensive black-box objectives, yet extending it to graph-structured domains remains challenging due to the discrete and combinatorial nature of graphs. Existing approaches…

机器学习 · 计算机科学 2025-11-12 Shu Hong , Yongsheng Mei , Mahdi Imani , Tian Lan

The accurate and efficient simulation of Partial Differential Equations (PDEs) in and around arbitrarily defined geometries is critical for many application domains. Immersed boundary methods (IBMs) alleviate the usually laborious and…

During the design process of an autonomous underwater vehicle (AUV), the pressure vessel has a critical role. The pressure vessel contains dry electronics, power sources, and other sensors that can not be flooded. A traditional design…

机器学习 · 计算机科学 2022-07-12 Harsh Vardhan , Janos Sztipanovits

In diagnosing neurological disorders from electroencephalography (EEG) data, foundation models such as Transformers have been employed to capture temporal dynamics. Additionally, Graph Neural Networks (GNNs) are critical for representing…

机器学习 · 计算机科学 2025-02-19 Toyotaro Suzumura , Hiroki Kanezashi , Shotaro Akahori

We present a novel graph-based learning of EEG representations with gradient alignment (GEEGA) that leverages multi-domain information to learn EEG representations for brain-computer interfaces. Our model leverages graph convolutional…

人机交互 · 计算机科学 2025-12-09 Prithila Angkan , Amin Jalali , Paul Hungler , Ali Etemad

We propose a physics-informed machine learning framework called P-DivGNN to reconstruct local stress fields at the micro-scale, in the context of multi-scale simulation given a periodic micro-structure mesh and mean, macro-scale, stress…

机器学习 · 计算机科学 2025-07-09 Manuel Ricardo Guevara Garban , Yves Chemisky , Étienne Prulière , Michaël Clément

In an increasing number of neuroimaging studies, brain images, which are in the form of multidimensional arrays (tensors), have been collected on multiple subjects at multiple time points. Of scientific interest is to analyze such massive…

The simulation of complex physical systems using a discretized mesh is a cornerstone of applied mechanics, but traditional numerical solvers are often computationally prohibitive for many-query tasks. While Graph Neural Networks (GNNs) have…

机器学习 · 计算机科学 2025-09-24 Kangzheng Liu , Leixin Ma

The training of Binary Neural Networks (BNNs) is fundamentally based on gradient approximation for non-differentiable binarization operations (e.g., sign function). However, prevailing methods including the Straight-Through Estimator (STE)…

机器学习 · 计算机科学 2026-05-26 Haoyu Huang , Boyu Liu , Linlin Yang , Yanjing Li , Yuguang Yang , Xuhui Liu , Canyu Chen , Zhongqian Fu , Baochang Zhang

Federated learning (FL) has rapidly evolved as a promising paradigm that enables collaborative model training across distributed participants without exchanging their local data. Despite its broad applications in fields such as computer…

机器学习 · 计算机科学 2024-10-15 Ziwei Li , Xiaoqi Wang , Hong-You Chen , Han-Wei Shen , Wei-Lun Chao

In the trend of hybrid Artificial Intelligence techniques, Physical-Informed Machine Learning has seen a growing interest. It operates mainly by imposing data, learning, or architecture bias with simulation data, Partial Differential…

机器学习 · 计算机科学 2024-08-05 Alexis-Raja Brachet , Pierre-Yves Richard , Céline Hudelot

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support…

机器学习 · 计算机科学 2024-05-09 Yucen Lily Li , Tim G. J. Rudner , Andrew Gordon Wilson

Mesh-based numerical solvers are an important part in many design tool chains. However, accurate simulations like computational fluid dynamics are time and resource consuming which is why surrogate models are employed to speed-up the…

机器学习 · 计算机科学 2023-07-27 Sebastian Strönisch , Maximilian Sander , Andreas Knüpfer , Marcus Meyer