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The computational resources required to solve the full 3D inversion of time-domain electromagnetic data are immense. To overcome the time-consuming 3D simulations, we construct a surrogate model, more precisely, a data-driven statistical…

Geophysics · Physics 2024-07-10 Wouter Deleersnyder , David Dudal , Thomas Hermans

In this study, we present a method to create a robust inverse surrogate model for a soft X-ray spectrometer. During a beamtime at an electron storage ring, such as BESSY II, instrumentation and beamlines are required to be correctly aligned…

Instrumentation and Detectors · Physics 2025-02-26 Enrico Ahlers , Peter Feuer-Forson , Gregor Hartmann , Rolf Mitzner , Peter Baumgärtel , Jens Viefhaus

Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost…

Materials Science · Physics 2022-07-01 Vivek Oommen , Khemraj Shukla , Somdatta Goswami , Remi Dingreville , George Em Karniadakis

We address the problem of training models with black-box and hard-to-optimize metrics by expressing the metric as a monotonic function of a small number of easy-to-optimize surrogates. We pose the training problem as an optimization over a…

Machine Learning · Computer Science 2020-02-21 Qijia Jiang , Olaoluwa Adigun , Harikrishna Narasimhan , Mahdi Milani Fard , Maya Gupta

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

Seismic velocity inversion is a key task in geophysical exploration, enabling the reconstruction of subsurface structures from seismic wave data. It is critical for high-resolution seismic imaging and interpretation. Traditional…

Geophysics · Physics 2025-09-29 Mahedi Hasan

Modeling groundwater flow in three-dimensional fractured crystalline media requires accounting for strong spatial heterogeneity induced by fractures. Fine-scale discrete fracture-matrix (DFM) simulations can capture this complexity but are…

Machine Learning · Computer Science 2026-04-06 Martin Špetlík , Jan Březina

Evolutionary Strategies (ES) are known to be an effective black-box optimization technique for deep neural networks when the true gradients cannot be computed, such as in Reinforcement Learning. We continue a recent line of research that…

Neural and Evolutionary Computing · Computer Science 2019-10-14 Florian Meier , Asier Mujika , Marcelo Matheus Gauy , Angelika Steger

Wave equation techniques have been an integral part of geophysical imaging workflows to investigate the Earth's subsurface. Least-squares reverse time migration (LSRTM) is a linearized inversion problem that iteratively minimizes a misfit…

Computational Physics · Physics 2019-12-11 Janaki Vamaraju , Jeremy Vila , Mauricio Araya-Polo , Debanjan Datta , Mohamed Sidahmed , Mrinal Sen

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

Continuous high frequency water quality monitoring is becoming a critical task to support water management. Despite the advancements in sensor technologies, certain variables cannot be easily and/or economically monitored in-situ and in…

Machine Learning · Computer Science 2020-01-28 María Castrillo , Álvaro López García

Designing an inexpensive approximate surrogate model that captures the salient features of an expensive high-fidelity behavior is a prevalent approach in design optimization. In recent times, Deep Learning (DL) models are being used as a…

Machine Learning · Computer Science 2022-07-12 Harsh Vardhan , Janos Sztipanovits

One fundamental problem when solving inverse problems is how to find regularization parameters. This article considers solving this problem using data-driven bilevel optimization, i.e. we consider the adaptive learning of the regularization…

Statistics Theory · Mathematics 2021-01-08 Neil K. Chada , Claudia Schillings , Xin T. Tong , Simon Weissmann

Deep learning has become a crucial technology for making breakthroughs in many fields. Nevertheless, it still faces two important challenges in theoretical and applied aspects. The first lies in the shortcomings of gradient descent based…

Machine Learning · Computer Science 2024-07-09 Binghong Liu , Ziqi Zhao , Shupan Li , Ke Wang

Fast inference of numerical model parameters from data is an important prerequisite to generate predictive models for a wide range of applications. Use of sampling-based approaches such as Markov chain Monte Carlo may become intractable…

Machine Learning · Computer Science 2022-08-10 Yu Wang , Fang Liu , Daniele E. Schiavazzi

Bayesian Optimization is a popular tool for tuning algorithms in automatic machine learning (AutoML) systems. Current state-of-the-art methods leverage Random Forests or Gaussian processes to build a surrogate model that predicts algorithm…

Machine Learning · Computer Science 2021-01-08 Jeroen van Hoof , Joaquin Vanschoren

To maximize the economic benefits of geothermal energy production, it is essential to optimize geothermal reservoir management strategies, in which geologic uncertainty should be considered. In this work, we propose a closed-loop…

Machine Learning · Computer Science 2022-04-20 Nanzhe Wang , Haibin Chang , Xiangzhao Kong , Martin O. Saar , Dongxiao Zhang

Neural networks are powerful surrogates for numerous forward processes. The inversion of such surrogates is extremely valuable in science and engineering. The most important property of a successful neural inverse method is the performance…

Machine Learning · Computer Science 2022-10-18 Navid Ansari , Hans-Peter Seidel , Nima Vahidi Ferdowsi , Vahid Babaei

Modern statistical applications often involve minimizing an objective function that may be nonsmooth and/or nonconvex. This paper focuses on a broad Bregman-surrogate algorithm framework including the local linear approximation, mirror…

Optimization and Control · Mathematics 2021-12-20 Yiyuan She , Zhifeng Wang , Jiuwu Jin

We propose an extension of the discretization approaches for multilayer shallow water models, aimed at making them more flexible and efficient for realistic applications to coastal flows. A novel discretization approach is proposed, in…

Numerical Analysis · Mathematics 2018-04-18 Luca Bonaventura , Enrique D. Fernández-Nieto , José Garres-Díaz , Gladys Narbona-Reina