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Supervised deep learning methods typically require large datasets and high-quality labels to achieve reliable predictions. However, their performance often degrades when trained on imperfect labels. To address this challenge, we propose a…

Geophysics · Physics 2025-11-20 Yang Cui , Denis Anikiev , Umair Bin Waheed , Yangkang Chen

Neural operators have shown great potential in surrogate modeling. However, training a well-performing neural operator typically requires a substantial amount of data, which can pose a major challenge in complex applications. In such…

Machine Learning · Computer Science 2026-02-05 Keyan Chen , Yile Li , Da Long , Zhitong Xu , Wei Xing , Jacob Hochhalter , Shandian Zhe

Partial differential equations (PDEs) govern a wide range of physical phenomena, but their numerical solution remains computationally demanding, especially when repeated simulations are required across many parameter settings. Recent…

Machine Learning · Computer Science 2026-05-13 Hamda Hmida , Hsiu-Wen Chang Joly , Youssef Mesri

We propose a novel data-lean operator learning algorithm, the Reduced Basis Neural Operator (ReBaNO), to solve a group of PDEs with multiple distinct inputs. Inspired by the Reduced Basis Method and the recently introduced Generative…

Machine Learning · Computer Science 2025-09-12 Haolan Zheng , Yanlai Chen , Jiequn Han , Yue Yu

Partial differential equations (PDEs) govern diverse physical phenomena, yet high-fidelity numerical solutions are computationally expensive and Machine Learning approaches lack generalization. While Scientific Foundation Models (SFMs) aim…

Machine Learning · Computer Science 2026-05-13 Hamda Hmida , Hsiu-Wen Chang , Youssef Mesri

U-Nets are a go-to, state-of-the-art neural architecture across numerous tasks for continuous signals on a square such as images and Partial Differential Equations (PDE), however their design and architecture is understudied. In this paper,…

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

Machine Learning · Computer Science 2026-02-11 Cheng Zeng , Zulqarnain Khan , Nathan L. Post

A key challenge in metasurface design is the development of algorithms that can effectively and efficiently produce high performance devices. Design methods based on iterative optimization can push the performance limits of metasurfaces,…

We investigate the construction of generative models capable of encoding physical constraints that can be hard to express explicitly. For the problem of inverse material design, where one seeks to design a material with a prescribed set of…

Materials Science · Physics 2024-01-17 Khalid El-Awady

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

The ability to accurately model random fields plays a critical role in science and engineering for problems involving uncertain, spatially-varying quantities such as heterogeneous material properties and turbulent flows. Deep generative…

Gradient-based meta-learning methods have primarily been applied to classical machine learning tasks such as image classification. Recently, PDE-solving deep learning methods, such as neural operators, are starting to make an important…

Machine Learning · Computer Science 2023-02-06 Lu Zhang , Huaiqian You , Tian Gao , Mo Yu , Chung-Hao Lee , Yue Yu

Deep learning surrogate models have shown promise in solving partial differential equations (PDEs). Among them, the Fourier neural operator (FNO) achieves good accuracy, and is significantly faster compared to numerical solvers, on a…

Machine Learning · Computer Science 2024-05-03 Zongyi Li , Daniel Zhengyu Huang , Burigede Liu , Anima Anandkumar

Physics Informed Machine Learning has emerged as a popular approach for modeling and simulation in digital twins, enabling the generation of accurate models of processes and behaviors in real-world systems. However, existing methods either…

Machine Learning · Computer Science 2025-07-15 Muhammad Saad Zia , Ashiq Anjum , Lu Liu , Anthony Conway , Anasol Pena Rios

We introduce Neural Optimal Design of Experiments, a learning-based framework for optimal experimental design in inverse problems that avoids classical bilevel optimization and indirect sparsity regularization. NODE jointly trains a neural…

Machine Learning · Computer Science 2026-01-08 John E. Darges , Babak Maboudi Afkham , Matthias Chung

Metasurfaces are subwavelength-structured artificial media that can shape and localize electromagnetic waves in unique ways. The inverse design of these devices is a non-convex optimization problem in a high dimensional space, making global…

Computational Physics · Physics 2019-11-22 Jiaqi Jiang , Jonathan A. Fan

In computational physics, a longstanding challenge lies in finding numerical solutions to partial differential equations (PDEs). Recently, research attention has increasingly focused on Neural Operator methods, which are notable for their…

Machine Learning · Computer Science 2025-09-26 Yichen Song , Yalun Wu , Yunbo Wang , Xiaokang Yang

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine Learning · Computer Science 2025-11-11 Hyunsoo Park , Aron Walsh

Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

Soft Condensed Matter · Physics 2025-09-18 Kijung Kim , Seungwook Hong , Wonjun Jung , Wooseok Kim , Namjung Kim , Howon Lee
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