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Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

Soft Condensed Matter · Physics 2025-09-18 Kijung Kim , Seungwook Hong , Wonjun Jung , Wooseok Kim , Namjung Kim , Howon Lee

A tight and consistent link between resolutions is crucial to further expand the impact of multiscale modeling for complex materials. We herein tackle the generation of condensed molecular structures as a refinement -- backmapping -- of a…

Soft Condensed Matter · Physics 2020-03-18 Marc Stieffenhofer , Michael Wand , Tristan Bereau

Data integration, or the strategic analysis of multiple sources of data simultaneously, can often lead to discoveries that may be hidden in individualistic analyses of a single data source. We develop a new unsupervised data integration…

Methodology · Statistics 2021-04-06 Tiffany M. Tang , Genevera I. Allen

The inverse of a large matrix can often be accurately approximated by a polynomial of degree significantly lower than the order of the matrix. The iteration polynomial generated by a run of the GMRES algorithm is a good candidate, and its…

Numerical Analysis · Mathematics 2025-02-26 Mark Embree , Joel A. Henningsen , Jordan Jackson , Ronald B. Morgan

This paper presents a new joint inversion approach to shape-based inverse problems. Given two sets of data from distinct physical models, the main objective is to obtain a unified characterization of inclusions within the spatial domain of…

Plasma tomography consists in reconstructing the 2D radiation profile in a poloidal cross-section of a fusion device, based on line-integrated measurements along several lines of sight. The reconstruction process is computationally…

Computational Physics · Physics 2018-02-08 Diogo R. Ferreira , Pedro J. Carvalho , Horácio Fernandes

Reverse-phase protein array (RPPA) analysis is a powerful, relatively new platform that allows for high-throughput, quantitative analysis of protein networks. One of the challenges that currently limit the potential of this technology is…

A key step during industrial design is the passing of design information from computer aided design (CAD) to analysis tools (CAE) and vice versa. Here, one is faced with a severe incompatibility in geometry representation: While CAD is…

Computational Engineering, Finance, and Science · Computer Science 2023-07-18 Sebastian Hube , Roxana Pohlmann , Stefanie Elgeti

Sparse Principal Component Analysis (PCA) is a dimensionality reduction technique wherein one seeks a low-rank representation of a data matrix with additional sparsity constraints on the obtained representation. We consider two…

Information Theory · Computer Science 2014-05-06 Yash Deshpande , Andrea Montanari

Principal component analysis (PCA) is a widely used dimension reduction technique in machine learning and multivariate statistics. To improve the interpretability of PCA, various approaches to obtain sparse principal direction loadings have…

Data Structures and Algorithms · Computer Science 2021-06-07 Agniva Chowdhury , Petros Drineas , David P. Woodruff , Samson Zhou

Archetypal analysis is an unsupervised learning method for exploratory data analysis. One major challenge that limits the applicability of archetypal analysis in practice is the inherent computational complexity of the existing algorithms.…

Computation · Statistics 2022-05-13 Ruijian Han , Braxton Osting , Dong Wang , Yiming Xu

Enforcing alignment between the internal representations of diffusion or flow-based generative models and those of pretrained self-supervised encoders has recently been shown to provide a powerful inductive bias, improving both convergence…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Loukas Sfountouris , Giannis Daras , Paris Giampouras

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to…

Chemical Physics · Physics 2016-02-15 Ondrej Marsalek , Thomas E. Markland

Methodologies for multidimensionality reduction aim at discovering low-dimensional manifolds where data ranges. Principal Component Analysis (PCA) is very effective if data have linear structure. But fails in identifying a possible…

Numerical Analysis · Mathematics 2021-01-14 Alberto García-González , Antonio Huerta , Sergio Zlotnik , Pedro Díez

Matrix product ansatz (MPA) is a powerful framework for constructing exact steady state weights of one dimensional non-equilibrium stochastic processes; but its generalization to higher dimensions is limited. Here, we introduce the MPA…

Statistical Mechanics · Physics 2026-05-20 Chandraniva Guha Ray , Aikya Banerjee , P. K. Mohanty

Recent works have demonstrated the feasibility of inverting face recognition systems, enabling to recover convincing face images using only their embeddings. We leverage such template inversion models to develop a novel type ofdeep morphing…

Computer Vision and Pattern Recognition · Computer Science 2024-10-23 Laurent Colbois , Hatef Otroshi Shahreza , Sébastien Marcel

We study robust PCA for the fully observed setting, which is about separating a low rank matrix $\boldsymbol{L}$ and a sparse matrix $\boldsymbol{S}$ from their sum $\boldsymbol{D}=\boldsymbol{L}+\boldsymbol{S}$. In this paper, a new…

Information Theory · Computer Science 2021-06-29 HanQin Cai , Jian-Feng Cai , Ke Wei

We consider the estimation of the state transition matrix in vector autoregressive models, when time sequence data is limited but nonsequence steady-state data is abundant. To leverage both sources of data, we formulate the least squares…

Optimization and Control · Mathematics 2018-09-21 Fu Lin , Jie Chen

Dimer models (also known as brane tilings) are special bipartite graphs on a torus $\mathbb{T}^2$. They encode the structure of the 4d $\mathcal{N} = 1$ worldvolume theories of D3 branes probing toric affine Calabi-Yau singularities.…

High Energy Physics - Theory · Physics 2021-12-03 Valdo Tatitscheff

Impressive progress in 3D shape extraction led to representations that can capture object geometries with high fidelity. In parallel, primitive-based methods seek to represent objects as semantically consistent part arrangements. However,…

Computer Vision and Pattern Recognition · Computer Science 2021-03-19 Despoina Paschalidou , Angelos Katharopoulos , Andreas Geiger , Sanja Fidler