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The product design process in manufacturing involves iterative design modeling and analysis to achieve the target engineering performance, but such an iterative process is time consuming and computationally expensive. Recently, deep…

Machine Learning · Computer Science 2023-09-12 Seungyeon Shin , Namwoo Kang

We develop a framework for derivative Gaussian process latent variable models (DGP-LVMs) that can handle multi-dimensional output data using modified derivative covariance functions. The modifications account for complexities in the…

Methodology · Statistics 2025-06-10 Soham Mukherjee , Manfred Claassen , Paul-Christian Bürkner

Unforeseen events are frequent in the real-world environments where robots are expected to assist, raising the need for fast replanning of the policy in execution to guarantee the system and environment safety. Inspired by human behavioural…

Robotics · Computer Science 2019-06-25 Èric Pairet , Paola Ardón , Michael Mistry , Yvan Petillot

Unsupervised learning aims at the discovery of hidden structure that drives the observations in the real world. It is essential for success in modern machine learning. Latent variable models are versatile in unsupervised learning and have…

Machine Learning · Computer Science 2016-06-13 Furong Huang

We present a high-order radial basis function finite difference (RBF-FD) framework for the solution of advection-diffusion equations on time-varying domains. Our framework is based on a generalization of the recently developed Overlapped…

Numerical Analysis · Mathematics 2021-09-15 Varun Shankar , Grady B. Wright , Aaron L. Fogelson

This paper develops a predictive modeling algorithm, denoted as Real-Time Vector Fitting (RTVF), which is capable of approximating the real-time linearized dynamics of multi-input multi-output (MIMO) dynamical systems via rational transfer…

Systems and Control · Electrical Eng. & Systems 2021-04-19 Tommaso Bradde , Samuel Chevalier , Marco De Stefano , Stefano Grivet-Talocia , Luca Daniel

Diffeomorphic image registration, offering smooth transformation and topology preservation, is required in many medical image analysis tasks.Traditional methods impose certain modeling constraints on the space of admissible transformations…

Computer Vision and Pattern Recognition · Computer Science 2022-11-03 Kun Han , Shanlin sun , Xiangyi Yan , Chenyu You , Hao Tang , Junayed Naushad , Haoyu Ma , Deying Kong , Xiaohui Xie

We introduce a physics-driven deep latent variable model (PDDLVM) to learn simultaneously parameter-to-solution (forward) and solution-to-parameter (inverse) maps of parametric partial differential equations (PDEs). Our formulation…

Machine Learning · Statistics 2023-08-09 Arnaud Vadeboncoeur , Ömer Deniz Akyildiz , Ieva Kazlauskaite , Mark Girolami , Fehmi Cirak

Searching recurrent patterns in complex systems with high-dimensional phase spaces is an important task in diverse fields. In the current work, an improved scheme is proposed to accelerate the recently designed variational approach for…

Chaotic Dynamics · Physics 2022-01-11 Ding Wang , Yueheng Lan

Designing molecules that bind to specific target proteins is a fundamental task in drug discovery. Recent models leverage geometric constraints to generate ligand molecules that bind cohesively with specific protein pockets. However, these…

Biomolecules · Quantitative Biology 2023-04-26 Fang Sun , Zhihao Zhan , Hongyu Guo , Ming Zhang , Jian Tang

Geological parameterization entails the representation of a geomodel using a small set of latent variables and a mapping from these variables to grid-block properties such as porosity and permeability. Parameterization is useful for data…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Guido Di Federico , Louis J. Durlofsky

Modeling extreme precipitation and temperature is vital for understanding the impacts of climate change, as hazards like intense rainfall and record-breaking temperatures can result in severe consequences, including floods, droughts, and…

Methodology · Statistics 2026-01-13 Remy MacDonald , Benjamin Seiyon Lee , John Foley , Justin Lee

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

A parametric adaptive greedy Latent Space Dynamics Identification (gLaSDI) framework is developed for accurate, efficient, and certified data-driven physics-informed greedy auto-encoder simulators of high-dimensional nonlinear dynamical…

Machine Learning · Computer Science 2022-11-28 Xiaolong He , Youngsoo Choi , William D. Fries , Jonathan L. Belof , Jiun-Shyan Chen

Inverse problems involving partial differential equations (PDEs) with discontinuous coefficients are fundamental challenges in modeling complex spatiotemporal systems with heterogeneous structures and uncertain dynamics. Traditional…

Machine Learning · Statistics 2025-10-17 Zhikun Zhang , Guanyu Pan , Xiangjun Wang , Yong Xu , Guangtao Zhang

The accurate prediction of geometric state evolution in complex systems is critical for advancing scientific domains such as quantum chemistry and material modeling. Traditional experimental and computational methods face challenges in…

Machine Learning · Computer Science 2024-11-01 Shengjie Luo , Yixian Xu , Di He , Shuxin Zheng , Tie-Yan Liu , Liwei Wang

We introduce an adaptive element-based domain decomposition (DD) method for solving saddle point problems defined as a block two by two matrix. The algorithm does not require any knowledge of the constrained space. We assume that all sub…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-24 Frédéric Nataf , Pierre-Henri Tournier

This paper presents a new class of adaptive filters, namely Geometric-Algebra Adaptive Filters (GAAFs). They are generated by formulating the underlying minimization problem (a deterministic cost function) from the perspective of Geometric…

Optimization and Control · Mathematics 2018-08-22 Wilder B. Lopes , Cassio G. Lopes

This paper proposes a novel paradigm for machine learning that moves beyond traditional parameter optimization. Unlike conventional approaches that search for optimal parameters within a fixed geometric space, our core idea is to treat the…

Machine Learning · Computer Science 2025-10-31 Di Zhang

Global probabilistic inversion within the latent space learned by a Generative Adversarial Network (GAN) has been recently demonstrated. Compared to inversion on the original model space, using the latent space of a trained GAN can offer…