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Modern 'smart' materials have complex heterogeneous microscale structure, often with unknown macroscale closure but one we need to realise for large scale engineering and science. The multiscale Equation-Free Patch Scheme empowers us to…

Computational Engineering, Finance, and Science · Computer Science 2023-08-21 Thien Tran-Duc , J. E. Bunder , A. J. Roberts

Multiscale problems can usually be approximated through numerical homogenization by an equation with some effective parameters that can capture the macroscopic behavior of the original system on the coarse grid to speed up the simulation.…

Numerical Analysis · Mathematics 2024-06-21 Fan Wang , Yating Wang , Wing Tat Leung , Zongben Xu

We present a framework to train a structured prediction model by performing smoothing on the inference algorithm it builds upon. Smoothing overcomes the non-smoothness inherent to the maximum margin structured prediction objective, and…

Machine Learning · Statistics 2019-02-11 Krishna Pillutla , Vincent Roulet , Sham M. Kakade , Zaid Harchaoui

We employ physics-informed neural networks (PINNs) to infer properties of biological materials using synthetic data. In particular, we successfully apply PINNs on inferring the thrombus permeability and visco-elastic modulus from thrombus…

Computational Physics · Physics 2021-01-22 Minglang Yin , Xiaoning Zheng , Jay D. Humphrey , George Em Karniadakis

The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential.…

Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…

Materials Science · Physics 2024-06-24 Brandon K. Phan , Kuan-Hsuan Shen , Rishi Gurnani , Huan Tran , Ryan Lively , Rampi Ramprasad

We introduce a class of Sparse, Physics-based, and partially Interpretable Neural Networks (SPINN) for solving ordinary and partial differential equations (PDEs). By reinterpreting a traditional meshless representation of solutions of PDEs…

Machine Learning · Computer Science 2021-08-13 Amuthan A. Ramabathiran , Prabhu Ramachandran

Hybrid beamforming is a promising technique to reduce the complexity and cost of massive multiple-input multiple-output (MIMO) systems while providing high data rate. However, the hybrid precoder design is a challenging task requiring…

Signal Processing · Electrical Eng. & Systems 2021-05-28 Hamed Hojatian , Jeremy Nadal , Jean-Francois Frigon , Francois Leduc-Primeau

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

Materials Science · Physics 2025-11-14 Damien Pinto , Michael Greenwood , Nikolas Provatas

The study of biomolecular folding has been greatly advanced by single-molecule force spectroscopy (SMFS), which enables the observation of the dynamics of individual molecules. However, extracting quantitative models of fundamental…

Chemical Physics · Physics 2026-04-30 Lars Dingeldein , Aaron Lyons , Pilar Cossio , Michael Woodside , Roberto Covino

We introduce a novel hybrid methodology combining classical finite element methods (FEM) with neural networks to create a well-performing and generalizable surrogate model for forward and inverse problems. The residual from finite element…

Computational Engineering, Finance, and Science · Computer Science 2022-05-18 Rishith Ellath Meethal , Birgit Obst , Mohamed Khalil , Aditya Ghantasala , Anoop Kodakkal , Kai-Uwe Bletzinger , Roland Wüchner

Spiking Neural Networks (SNNs) as Machine Learning (ML) models have recently received a lot of attention as a potentially more energy-efficient alternative to conventional Artificial Neural Networks. The non-differentiability and sparsity…

Machine Learning · Computer Science 2025-12-05 Maximilian Gollwitzer , Felix Dietrich

Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics - in particular, confinement effects which…

Generative sequence modeling faces a fundamental tension between the expressivity of Transformers and the efficiency of linear sequence models. Existing efficient architectures are theoretically bounded by shallow, single-step linear…

Machine Learning · Computer Science 2026-02-13 Jie Jiang , Ke Cheng , Xin Xu , Mengyang Pang , Tianhao Lu , Jiaheng Li , Yue Liu , Yuan Wang , Jun Zhang , Huan Yu , Zhouchen Lin

This paper proposes a frequent pattern data mining algorithm based on support vector machine (SVM), aiming to solve the performance bottleneck of traditional frequent pattern mining algorithms in high-dimensional and sparse data…

Machine Learning · Computer Science 2024-12-23 Pochun Li

Neural posterior estimation methods based on discrete normalizing flows have become established tools for simulation-based inference (SBI), but scaling them to high-dimensional problems can be challenging. Building on recent advances in…

Machine Learning · Computer Science 2023-10-30 Maximilian Dax , Jonas Wildberger , Simon Buchholz , Stephen R. Green , Jakob H. Macke , Bernhard Schölkopf

It is crucial to learn the shared structures among functional predictors, as these structures characterize how predictor components exert common effects and, more generally, how predictors are homogeneously associated with the response.…

Methodology · Statistics 2026-04-27 Shuhao Jiao , Hernando Ombao , Ian W. McKeague

We derive streamlined mean field variational Bayes algorithms for fitting linear mixed models with crossed random effects. In the most general situation, where the dimensions of the crossed groups are arbitrarily large, streamlining is…

Methodology · Statistics 2022-04-15 Marianne Menictas , Gioia Di Credico , Matt P. Wand

Recently, physics informed neural networks (PINNs) have been explored extensively for solving various forward and inverse problems and facilitating querying applications in fluid mechanics applications. However, work on PINNs for unsteady…

Fluid Dynamics · Physics 2024-02-28 Rahul Sundar , Dipanjan Majumdar , Didier Lucor , Sunetra Sarkar

Many problems in science and engineering require making predictions based on few observations. To build a robust predictive model, these sparse data may need to be augmented with simulated data, especially when the design space is…