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This paper presents a method of reconstruction a primary structure of a protein that folds into a given geometrical shape. This method predicts the primary structure of a protein and restores its linear sequence of amino acids in the…

Quantitative Methods · Quantitative Biology 2017-01-04 Andrii Riazanov , Mikhail Karasikov , Sergei Grudinin

Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…

Graphics · Computer Science 2025-04-22 Yu Guo , Milos Hasan , Lingqi Yan , Shuang Zhao

We propose a Projected Proximal Point Algorithm (ProPPA) for solving a class of optimization problems. The algorithm iteratively computes the proximal point of the last estimated solution projected into an affine space which itself is…

Machine Learning · Computer Science 2015-03-20 Ranch Y. Q. Lai , Pong C. Yuen

Inference for Variational Autoencoders (VAEs) consists of learning two models: (1) a generative model, which transforms a simple distribution over a latent space into the distribution over observed data, and (2) an inference model, which…

Machine Learning · Statistics 2024-06-14 Yaniv Yacoby , Weiwei Pan , Finale Doshi-Velez

Prototypal analysis is introduced to overcome two shortcomings of archetypal analysis: its sensitivity to outliers and its non-locality, which reduces its applicability as a learning tool. Same as archetypal analysis, prototypal analysis…

Machine Learning · Statistics 2017-08-24 Chenyue Wu , Esteban G. Tabak

The primal-dual algorithm recently proposed by Chambolle & Pock (abbreviated as CPA) for structured convex optimization is very efficient and popular. It was shown by Chambolle & Pock in \cite{CP11} and also by Shefi & Teboulle in…

Optimization and Control · Mathematics 2014-09-11 Raymond H. Chan , Shiqian Ma , Junfeng Yang

Motivated by the Bagging Partial Least Squares (PLS) and Principal Component Analysis (PCA) algorithms, we propose a Principal Model Analysis (PMA) method in this paper. In the proposed PMA algorithm, the PCA and the PLS are combined. In…

Machine Learning · Computer Science 2019-02-08 Qiwei Xie , Liang Tang , Weifu Li , Vijay John , Yong Hu

The proximal point algorithm (PPA) has been developed to solve the monotone variational inequality problem. It provides a theoretical foundation for some methods, such as the augmented Lagrangian method (ALM) and the alternating direction…

Optimization and Control · Mathematics 2023-08-16 Jingyu Gao , Xiurui Geng

The proximal point algorithm (PPA) has been well studied in the literature. In particular, its linear convergence rate has been studied by Rockafellar in 1976 under certain condition. We consider a generalized PPA in the generic setting of…

Optimization and Control · Mathematics 2016-05-19 Min Tao , Xiaoming Yuan

Indentation test is used with growing popularity for the characterization of various materials on different scales. Developed methods are combining the test with computer simulation and inverse analyses to assess material parameters…

Computational Physics · Physics 2015-07-14 Vladimir Buljak , Shwetank Pandey

We show that the inference problem of constraining the dipole amplitude with inclusive deep inelastic scattering data can be written into a discrete linear inverse problem, in an analogous manner as can be done for computed tomography. To…

High Energy Physics - Phenomenology · Physics 2025-11-20 Henri Hänninen , Antti Kykkänen , Hjørdis Schlüter

Reconstructing the structure of thin films and multilayers from measurements of scattered X-rays or neutrons is key to progress in physics, chemistry, and biology. However, finding all structures compatible with reflectometry data is…

Modern computer vision algorithms have brought significant advancement to 3D geometry reconstruction. However, illumination and material reconstruction remain less studied, with current approaches assuming very simplified models for…

Computer Vision and Pattern Recognition · Computer Science 2019-03-19 Dejan Azinović , Tzu-Mao Li , Anton Kaplanyan , Matthias Nießner

Existing score-based methods for inverse problems often resort to approximate minimization of the KL divergence between the inversion distribution and the Bayesian posterior. Such an approximation leads to severe mode collapse and…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Weimin Bai , Yuxuan Gu , Yifei Wang , Weijian Luo , He Sun

We set the foundations for a new approach to Topological Data Analysis (TDA) based on homotopical methods at chain complexes level. We present the category of tame parametrised chain complexes as a comprehensive environment that includes…

Algebraic Topology · Mathematics 2020-11-17 Wojciech Chachólski , Barbara Giunti , Claudia Landi

Damage models for ductile materials typically need to be parameterized, often with the appropriate parameters changing for a given material depending on the loading conditions. This can make parameterizing these models computationally…

Materials Science · Physics 2023-07-31 Daniel N. Blaschke , Thao Nguyen , Mashroor Nitol , Daniel O'Malley , Saryu Fensin

Polymers, composed of repeating structural units called monomers, are fundamental materials in daily life and industry. Accurate property prediction for polymers is essential for their design, development, and application. However, existing…

Machine Learning · Computer Science 2025-07-29 Jiaxi Wang , Yaosen Min , Xun Zhu , Miao Li , Ji Wu

A Halpern-type relaxed inertial inexact progressive hedging algorithm (PHA) is proposed for solving multi-stage stochastic variational inequalities in general probability spaces. The subproblems in this algorithm are allowed to be…

Optimization and Control · Mathematics 2024-12-10 Jiaxin Chen , Zunjie Huang , Haisen Zhang

Pixel Processor Arrays (PPA) present a new vision sensor/processor architecture consisting of a SIMD array of processor elements, each capable of light capture, storage, processing and local communication. Such a device allows visual data…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Laurie Bose , Piotr Dudek

We compute approximate solutions to inverse problems for determining parameters in differential equation models with stochastic data on output quantities. The formulation of the problem and modeling framework define a solution as a…

Numerical Analysis · Mathematics 2014-07-16 Troy Butler , Don Estep , Simon Tavener , Timothy Wildey , Clint Dawson , Lindley Graham