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In this study, fluid flow and concentration distribution inside a 3D T-shaped micromixer with various fin shapes and configurations are investigated using a Flexible Physics-Informed Neural Network (FlexPINN), which includes modifications…

Fluid Dynamics · Physics 2026-02-24 Meraj Hassanzadeh , Ehsan Ghaderi , Mohamad Ali Bijarchi

We examine the interaction of multigrid methods and shape optimization in appropriate shape spaces. Our aim is a scalable algorithm for application on supercomputers, which can only be achieved by mesh-independent convergence. The impact of…

Optimization and Control · Mathematics 2021-04-12 Martin Siebenborn , Kathrin Welker

We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…

Machine Learning · Statistics 2017-11-22 Peter I. Frazier , Jialei Wang

LLM pre-training efficacy increasingly depends on data composition rather than sheer volume. Yet, optimal mixing is hindered by categorization flaws: human taxonomies suffer from ontological misalignment, and Euclidean clustering fails to…

Machine Learning · Computer Science 2026-05-27 Yue Min , Ziyun Qiao , Ruining Chen , Yujun Li

Building surrogate models is one common approach when we attempt to learn unknown black-box functions. Bayesian optimization provides a framework which allows us to build surrogate models based on sequential samples drawn from the function…

Machine Learning · Computer Science 2021-09-17 Hengrui Luo , James W. Demmel , Younghyun Cho , Xiaoye S. Li , Yang Liu

The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…

Machine Learning · Computer Science 2023-12-13 Yuxuan Song , Jingjing Gong , Minkai Xu , Ziyao Cao , Yanyan Lan , Stefano Ermon , Hao Zhou , Wei-Ying Ma

In this paper, we propose a local model reduction approach for subsurface flow problems in stochastic and highly heterogeneous media. To guarantee the mass conservation, we consider the mixed formulation of the flow problem and aim to solve…

Numerical Analysis · Mathematics 2022-03-23 Yiran Wang , Eric Chung , Shubin Fu

In this paper, we study the problem of learning multi-dimensional Gaussian Mixture Models (GMMs), with a specific focus on model order selection and efficient mixing distribution estimation. We first establish an information-theoretic lower…

Machine Learning · Statistics 2026-03-23 Xinyu Liu , Hai Zhang

Exploding predictive AI has enabled fast yet effective evaluation and decision-making in modern chip physical design flows. State-of-the-art frameworks typically include the objective of minimizing the mean square error (MSE) between the…

Machine Learning · Computer Science 2024-02-12 Haoyu Yang , Anthony Agnesina , Haoxing Ren

The use of reduced and mixed precision computing has gained increasing attention in high-performance computing (HPC) as a means to improve computational efficiency, particularly on modern hardware architectures like GPUs. In this work, we…

Computational Engineering, Finance, and Science · Computer Science 2025-05-28 Bálint Siklósi , Pushpender K. Sharma , David J. Lusher , István Z. Reguly , Neil D. Sandham

In spite of considerable progress, computing curvature in Volume of Fluid (VOF) methods continues to be a challenge. The goal is to develop a function or a subroutine that returns the curvature in computational cells containing an interface…

Computational Physics · Physics 2018-11-14 Yinghe Qi , Jiacai Lu , Ruben Scardovelli , Stephane Zaleski , Gretar Tryggvason

This paper introduces a new method for minimizing matrix-smooth non-convex objectives through the use of novel Compressed Gradient Descent (CGD) algorithms enhanced with a matrix-valued stepsize. The proposed algorithms are theoretically…

Optimization and Control · Mathematics 2024-04-23 Hanmin Li , Avetik Karagulyan , Peter Richtárik

Learning a Gaussian Mixture Model (GMM) is hard when the number of parameters is too large given the amount of available data. As a remedy, we propose restricting the GMM to a Gaussian Markov Random Field Mixture Model (GMRF-MM), as well as…

Machine Learning · Computer Science 2022-01-25 Shahaf E. Finder , Eran Treister , Oren Freifeld

Microfluidic biochips are replacing the conventional biochemical analysers integrating the necessary functions on-chip. We are interested in Flow-Based Microfluidic Biochips (FBMB), where a continuous flow of liquid is manipulated using…

Emerging Technologies · Computer Science 2025-05-07 Alexander Schneider , Jan Madsen , Paul Pop

The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Computational Physics · Physics 2017-05-11 Daniel Queteschiner , Thomas Lichtenegger , Simon Schneiderbauer , Stefan Pirker

The design of structures and vehicles subject to fluid-structure interaction (FSI) often requires high-fidelity coupled analysis. While the design variables pertain to the structure, the computational cost is dominated by the fluid solver,…

Computational Physics · Physics 2026-05-21 Aditya Narkhede , Erick Rivas , Kevin Wang

Cardiovascular diseases are among the most important causes of global mortality. Computational Fluid Dynamics (CFD) is a powerful research tool that analyzes the hemodynamics of artery and blood flow patterns. In this study, CFD simulations…

Fluid Dynamics · Physics 2023-09-12 Osman Aycan , Adnan Topuz , Lyes Kadem

The micromixing process in microfluidic devices is of central importance in quite a few applications, with microfluidic studies on carbon capture and environmental monitoring being two examples. High surface area to volume ratio in…

Fluid Dynamics · Physics 2025-11-21 Seyed Shahriar Riazi , Seyed Mostafa Hosseinalipour

Bayesian inverse problems highly rely on efficient and effective inference methods for uncertainty quantification (UQ). Infinite-dimensional MCMC algorithms, directly defined on function spaces, are robust under refinement of physical…

Computation · Statistics 2019-05-22 Shiwei Lan

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler