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We present a novel active learning algorithm, termed as iterative surrogate model optimization (ISMO), for robust and efficient numerical approximation of PDE constrained optimization problems. This algorithm is based on deep neural…

Optimization and Control · Mathematics 2020-12-30 Kjetil O. Lye , Siddhartha Mishra , Deep Ray , Praveen Chandrasekhar

We present a novel algorithmic approach and an error analysis leveraging Quasi-Monte Carlo points for training deep neural network (DNN) surrogates of Data-to-Observable (DtO) maps in engineering design. Our analysis reveals higher-order…

Numerical Analysis · Mathematics 2020-09-08 M. Longo , S. Mishra , T. K. Rusch , Ch. Schwab

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

Learning PDE dynamics from limited data with unknown physics is challenging. Existing neural PDE solvers either require large datasets or rely on known physics (e.g., PDE residuals or handcrafted stencils), leading to limited applicability.…

Machine Learning · Computer Science 2026-05-25 Han Wan , Rui Zhang , Hao Sun

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

Modelling complex multiphysics systems governed by nonlinear and strongly coupled partial differential equations (PDEs) is a cornerstone in computational science and engineering. However, it remains a formidable challenge for traditional…

Machine Learning · Computer Science 2025-02-28 Biao Yuan , He Wang , Yanjie Song , Ana Heitor , Xiaohui Chen

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

Training energy-based probabilistic models is confronted with apparently intractable sums, whose Monte Carlo estimation requires sampling from the estimated probability distribution in the inner loop of training. This can be approximately…

Machine Learning · Computer Science 2016-06-13 Taesup Kim , Yoshua Bengio

The increased penetration of wind power introduces more operational changes of critical corridors and the traditional time-consuming transient stability constrained total transfer capability (TTC) operational planning is unable to meet the…

Systems and Control · Electrical Eng. & Systems 2020-06-30 Gao Qiu , Youbo Liu , Junyong Liu , Junbo Zhao , Lingfeng Wang , Tingjian Liu , Hongjun Gao

We construct a new framework for accelerating Markov chain Monte Carlo in posterior sampling problems where standard methods are limited by the computational cost of the likelihood, or of numerical models embedded therein. Our approach…

Methodology · Statistics 2017-01-06 Patrick R. Conrad , Youssef M. Marzouk , Natesh S. Pillai , Aaron Smith

Geometry is central to PDE-governed systems, motivating shape optimization and inversion. Classical pipelines conduct costly forward simulation with geometry processing, requiring substantial expert effort. Neural surrogates accelerate…

Machine Learning · Computer Science 2026-05-15 Guoze Sun , Tianya Miao , Haoyang Huang , Huaguan Chen , Han Wan , Rui Zhang , Hao Sun

Inferring directed acyclic graphs (DAGs) from data via Markov chain Monte Carlo (MCMC) is computationally challenging in moderate-to-high dimensional settings because their discrete sampling space grows super-exponentially with the number…

Methodology · Statistics 2026-04-14 Morris Greenberg , Kieran R Campbell , Radu Craiu

Markov Chain Monte Carlo (MCMC) algorithms are commonly used for their versatility in sampling from complicated probability distributions. However, as the dimension of the distribution gets larger, the computational costs for a satisfactory…

Cosmology and Nongalactic Astrophysics · Physics 2020-12-01 Hector J. Hortua , Riccardo Volpi , Dimitri Marinelli , Luigi Malago

Deep learning and model predictive control (MPC) can play complementary roles in legged robotics. However, integrating learned models with online planning remains challenging. When dynamics are learned with neural networks, three key…

Robotics · Computer Science 2026-01-21 Samuel A. Moore , Easop Lee , Boyuan Chen

A large class of spatial models contains intractable normalizing functions, such as spatial lattice models, interaction spatial point processes, and social network models. Bayesian inference for such models is challenging since the…

Methodology · Statistics 2026-01-05 Jong Hyeon Lee , Jongmin Kim , Heesang Lee , Jaewoo Park

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

Numerical Analysis · Mathematics 2020-03-03 Liang Yan , Tao Zhou

Neural operators have emerged as powerful data-driven solvers for PDEs, offering substantial acceleration over classical numerical methods. However, existing transformer-based operators still face critical challenges when modeling PDEs on…

Artificial Intelligence · Computer Science 2026-05-12 Chun-Wun Cheng , Sifan Wang , Carola-Bibiane Schönlieb , Angelica I. Aviles-Rivero

Recent developments in mechanical, aerospace, and structural engineering have driven a growing need for efficient ways to model and analyse structures at much larger and more complex scales than before. While established numerical methods…

Machine Learning · Computer Science 2025-07-29 Rui Wu , Nikola Kovachki , Burigede Liu

Policy evaluation via Monte Carlo (MC) simulation is at the core of many MC Reinforcement Learning (RL) algorithms (e.g., policy gradient methods). In this context, the designer of the learning system specifies an interaction budget that…

Machine Learning · Computer Science 2024-10-18 Riccardo Poiani , Nicole Nobili , Alberto Maria Metelli , Marcello Restelli

Bayesian inverse problems are often computationally challenging when the forward model is governed by complex partial differential equations (PDEs). This is typically caused by expensive forward model evaluations and high-dimensional…

Machine Learning · Statistics 2023-02-08 Zhihang Xu , Yingzhi Xia , Qifeng Liao
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