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Precise control over dimension of nanocrystals is critical to tune the properties for various applications. However, the traditional control through experimental optimization is slow, tedious and time consuming. Herein a robust deep neural…

Machine Learning · Computer Science 2020-10-28 Xiaoli Liu , Yang Xu , Jiali Li , Xuanwei Ong , Salwa Ali Ibrahim , Tonio Buonassisi , Xiaonan Wang

Modern computational methods, involving highly sophisticated mathematical formulations, enable several tasks like modeling complex physical phenomenon, predicting key properties and design optimization. The higher fidelity in these computer…

Computational Engineering, Finance, and Science · Computer Science 2023-04-13 Lele Luan , Nesar Ramachandra , Sandipp Krishnan Ravi , Anindya Bhaduri , Piyush Pandita , Prasanna Balaprakash , Mihai Anitescu , Changjie Sun , Liping Wang

We investigate optimal order execution problems in discrete time with instantaneous price impact and stochastic resilience. First, in the setting of linear transient price impact we derive a closed-form recursion for the optimal strategy,…

Trading and Market Microstructure · Quantitative Finance 2023-10-31 Tao Chen , Mike Ludkovski , Moritz Voß

Background: Accumulation of abnormal contact stress is a primary biomechanical driver of acute meniscal tears and chronic osteoarthritis. While Finite Element Analysis (FEA) provides the necessary fidelity to quantify these injury-inducing…

Quantitative Methods · Quantitative Biology 2025-12-16 Zhengye Pan , Jianwei Zuo , Jiajia Luo

Neural Posterior Estimation (NPE) enables rapid parameter inference for complex simulators with intractable likelihoods. NPE trains an inference network to estimate a probability density over parameters given data, typically assumed to be…

Machine Learning · Computer Science 2026-05-14 Jan Boelts , Cornelius Schröder , Jonas Beck , Jakob H. Macke , Michael Deistler , Daniel Gedon

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

In NeuroEvolution, the topologies of artificial neural networks are optimized with evolutionary algorithms to solve tasks in data regression, data classification, or reinforcement learning. One downside of NeuroEvolution is the large amount…

Neural and Evolutionary Computing · Computer Science 2019-02-12 Jörg Stork , Martin Zaefferer , Thomas Bartz-Beielstein

The Li-ion battery is a complex physicochemical system that generally takes applied current as input and terminal voltage as output. The mappings from current to voltage can be described by several kinds of models, such as accurate but…

Computational Physics · Physics 2023-12-05 Qiang Zheng , Xiaoguang Yin , Dongxiao Zhang

We propose a model order reduction approach for non-intrusive surrogate modeling of parametric dynamical systems. The reduced model over the whole parameter space is built by combining surrogates in frequency only, built at few selected…

Numerical Analysis · Mathematics 2021-09-23 Fabio Nobile , Davide Pradovera

Accurate and predictive scale-resolving simulations of laser-ignited rocket engines are highly time-consuming because the problem includes turbulent fuel-oxidizer mixing dynamics, laser-induced energy deposition, and high-speed flame…

Machine Learning · Computer Science 2026-03-10 Tony Zahtila , Ettore Saetta , Murray Cutforth , Davy Brouzet , Diego Rossinelli , Gianluca Iaccarino

Metasurfaces have widespread applications in fifth-generation (5G) microwave communication. Among the metasurface family, free-form metasurfaces excel in achieving intricate spectral responses compared to regular-shape counterparts.…

Machine Learning · Computer Science 2024-01-09 Manna Dai , Yang Jiang , Feng Yang , Joyjit Chattoraj , Yingzhi Xia , Xinxing Xu , Weijiang Zhao , My Ha Dao , Yong Liu

High-fidelity electromagnetic (EM) simulations are indispensable for the design of microwave and wave devices, yet repeated full-wave evaluations over high-dimensional design spaces are often computationally prohibitive. While neural…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Mingze Sun , Liang Li , Xile Zhao , Zheng Tan , Yulu Hu , Xing Li , Bin Li

The ongoing decarbonisation of power systems is driving an increasing reliance on distributed energy resources, which introduces complex and nonlinear interactions that are difficult to capture in conventional optimisation models. As a…

Systems and Control · Electrical Eng. & Systems 2026-01-22 Yogesh Pipada Sunil Kumar , S. Ali Pourmousavi , Jon A. R. Liisberg , Julian Lesmos-Vinasco

Optimal actuator and control design is studied as a multi-level optimisation problem, where the actuator design is evaluated based on the performance of the associated optimal closed loop. The evaluation of the optimal closed loop for a…

Optimization and Control · Mathematics 2024-02-13 Dante Kalise , Estefanía Loayza-Romero , Kirsten A. Morris , Zhengang Zhong

Recent advances in combustion science have led to the generation of large volumes of data from high-fidelity simulations, detailed chemical-kinetic calculations and engine-relevant measurements and create new opportunities for data-driven…

Chemical Physics · Physics 2026-04-29 Amirali Shateri , Zhiyin Yang , Yuying Yan , Manosh C. Paul , Jianfei Xie

Operator-based neural network architectures such as DeepONets have emerged as a promising tool for the surrogate modeling of physical systems. In general, towards operator surrogate modeling, the training data is generated by solving the…

Machine Learning · Computer Science 2024-02-28 Shivam Choubey , Birupaksha Pal , Manish Agrawal

For many novel applications, such as patient-specific computer-aided surgery, conventional solution techniques of the underlying nonlinear problems are usually computationally too expensive and are lacking information about how certain can…

Machine Learning · Computer Science 2022-07-18 Saurabh Deshpande , Jakub Lengiewicz , Stéphane P. A. Bordas

This work proposes a new machine learning (ML)-based paradigm aiming to enhance the computational efficiency of non-equilibrium reacting flow simulations while ensuring compliance with the underlying physics. The framework combines…

Computational Physics · Physics 2023-09-25 Ivan Zanardi , Simone Venturi , Marco Panesi

Deep Operator Networks are emerging as fundamental tools among various neural network types to learn mappings between function spaces, and have recently gained attention due to their ability to approximate nonlinear operators. In…

Machine Learning · Computer Science 2026-01-15 Beatrice Ceccanti , Mattia Galanti , Ivo Roghair , Martin van Sint Annaland

Accurate and scalable surrogate models for AC power flow are essential for real-time grid monitoring, contingency analysis, and decision support in increasingly dynamic and inverter-dominated power systems. However, most existing surrogates…

Systems and Control · Electrical Eng. & Systems 2025-07-04 Shrenik Jadhav , Birva Sevak , Srijita Das , Wencong Su , Van-Hai Bui