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A key problem in computational material science deals with understanding the effect of material distribution (i.e., microstructure) on material performance. The challenge is to synthesize microstructures, given a finite number of…

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

When modeling scientific and industrial problems, geometries are typically modeled by explicit boundary representations obtained from computer-aided design software. Unfitted (also known as embedded or immersed) finite element methods offer…

Computational Engineering, Finance, and Science · Computer Science 2024-05-24 Pere A. Martorell , Santiago Badia

We describe a dynamic programming algorithm for predicting optimal RNA secondary structure, including pseudoknots. The algorithm has a worst case complexity of ${\cal O}(N^6)$ in time and ${\cal O}(N^4)$ in storage. The description of the…

Biological Physics · Physics 2009-09-25 Elena Rivas , Sean R. Eddy

Many properties of commonly used materials are driven by their microstructure, which can be influenced by the composition and manufacturing processes. To optimise future materials, understanding the microstructure is critically important.…

Model stitching (Lenc & Vedaldi 2015) is a compelling methodology to compare different neural network representations, because it allows us to measure to what degree they may be interchanged. We expand on a previous work from Bansal,…

Machine Learning · Computer Science 2023-09-04 Adriano Hernandez , Rumen Dangovski , Peter Y. Lu , Marin Soljacic

A numerical investigation of grain-boundary grooving by means of a Level Set method is carried out. An idealized polygranular interconnect which consists of grains separated by parallel grain boundaries aligned normal to the average…

Materials Science · Physics 2009-10-31 M. Khenner , A. Averbuch , M. Israeli , M. Nathan

Atomistic simulations have now established themselves as an indispensable tool in understanding deformation mechanisms of materials at the atomic scale. Large scale simulations are regularly used to study the behavior of polycrystalline…

Materials Science · Physics 2021-12-08 M. Vimal , S. Sandfeld , A. Prakash

Collocation has become a standard tool for approximation of parameterized systems in the uncertainty quantification (UQ) community. Techniques for least-squares regularization, compressive sampling recovery, and interpolatory reconstruction…

Numerical Analysis · Mathematics 2023-07-19 Akil Narayan , Tao Zhou

This paper investigates the statistical behavior of two-dimensional grain microstructures during grain growth under anisotropic grain boundary characters. We employ the threshold-dynamics method, which allows for unparalleled computational…

Materials Science · Physics 2023-09-19 Jaekwang Kim , Nikhil Chandra Admal

Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…

Generating temporal data under conditions is crucial for forecasting, imputation, and generative tasks. Such data often has metadata and partially observed signals that jointly influence the generated values. However, existing methods face…

Machine Learning · Computer Science 2025-11-05 Aditya Shankar , Lydia Y. Chen , Arie van Deursen , Rihan Hai

Knitting, an ancient fiber art, creates a structured fabric consisting of loops or stitches. Publishing hand knitting patterns involves lengthy testing periods and numerous knitters. Modeling knitting patterns with graphs can help expedite…

Human-Computer Interaction · Computer Science 2024-06-21 Kathryn Gray , Brian Bell , Stephen Kobourov

Modeling folding surfaces with nonzero thickness is of practical interest for mechanical engineering. There are many existing approaches that account for material thickness in folding applications. We propose a new systematic and broadly…

Computational Geometry · Computer Science 2016-01-22 Jason S. Ku , Erik D. Demaine

We revisit and extend model stitching (Lenc & Vedaldi 2015) as a methodology to study the internal representations of neural networks. Given two trained and frozen models $A$ and $B$, we consider a "stitched model'' formed by connecting the…

Machine Learning · Computer Science 2021-06-16 Yamini Bansal , Preetum Nakkiran , Boaz Barak

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou

The study of network representations of physical, biological, and social phenomena can help us better understand the structural and functional dynamics of their networks and formulate predictive models of these phenomena. However, due to…

Social and Information Networks · Computer Science 2019-05-14 Varsha Chauhan , Alexander Gutfraind , Ilya Safro

Graph Neural Networks (GNNs) have received increasing attention in many fields. However, due to the lack of prior graphs, their use for semantic labeling has been limited. Here, we propose a novel architecture called the Self-Constructing…

Computer Vision and Pattern Recognition · Computer Science 2020-04-24 Qinghui Liu , Michael Kampffmeyer , Robert Jenssen , Arnt-Børre Salberg

We demonstrate a novel algorithm for generating stationary stochastic signals with a specified power spectral density (or equivalently, via the Wiener-Khinchin relation, a specified autocorrelation function) while satisfying constraints on…

Signal Processing · Electrical Eng. & Systems 2020-10-15 Span Spanbauer , Ian Hunter

This paper provides a novel approach to stitching surface images of rotationally symmetric parts. It presents a process pipeline that uses a feature-based stitching approach to create a distortion-free and true-to-life image from a video…

Computer Vision and Pattern Recognition · Computer Science 2021-06-22 Tobias Schlagenhauf , Tim Brander , Juergen Fleischer