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The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…

While machine learning models are typically trained to solve prediction problems, we might often want to use them for optimization problems. For example, given a dataset of proteins and their corresponding fluorescence levels, we might want…

Machine Learning · Computer Science 2024-10-18 Jakub Grudzien Kuba , Masatoshi Uehara , Pieter Abbeel , Sergey Levine

Representation and generative learning, as reconstruction-based methods, have demonstrated their potential for mutual reinforcement across various domains. In the field of point cloud processing, although existing studies have adopted…

Computer Vision and Pattern Recognition · Computer Science 2024-08-16 Hongliang Zeng , Ping Zhang , Fang Li , Jiahua Wang , Tingyu Ye , Pengteng Guo

Generative AI technologies are growing in power, utility, and use. As generative technologies are being incorporated into mainstream applications, there is a need for guidance on how to design those applications to foster productive and…

Human-Computer Interaction · Computer Science 2023-01-16 Justin D. Weisz , Michael Muller , Jessica He , Stephanie Houde

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the…

Machine Learning · Computer Science 2025-08-05 Hadi Keramati , Patrick Kirchen , Mohammed Hannan , Rajeev K. Jaiman

The goal of this paper is to make Optimal Experimental Design (OED) computationally feasible for problems involving significant computational expense. We focus exclusively on the Mean Objective Cost of Uncertainty (MOCU), which is a…

Optimization and Control · Mathematics 2020-12-09 Anthony M. DeGennaro , Francis J. Alexander

Generative modeling of 3D human bodies have been studied extensively in computer vision. The core is to design a compact latent representation that is both expressive and semantically interpretable, yet existing approaches struggle to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-31 Haorui Ji , Rong Wang , Taojun Lin , Hongdong Li

Mathematical models of the human heart are increasingly playing a vital role in understanding the working mechanisms of the heart, both under healthy functioning and during disease. The aim is to aid medical practitioners diagnose and treat…

Numerical Analysis · Mathematics 2023-11-13 Sridhar Chellappa , Barış Cansız , Lihong Feng , Peter Benner , Michael Kaliske

High-fidelity vehicle drag evaluation is constrained less by solver runtime than by workflow friction: geometry cleanup, meshing retries, queue contention, and reproducibility failures across teams. We present a contract-centric blueprint…

Artificial Intelligence · Computer Science 2026-03-24 Jinhui Ren , Huaiming Li , Yabin Liu , Tao Li , Zhaokun Liu , Yujia Liang , Zengle Ge , Chufan Wu , Xiaomin Yuan , Danyu Liu , Annan Li , Jianmin Wu

We consider the problem of identifying the most profitable product design from a finite set of candidates under unknown consumer preference. A standard approach to this problem follows a two-step strategy: First, estimate the preference of…

Machine Learning · Statistics 2017-01-06 Max Yi Ren , Clayton Scott

Determining the proper level of details to develop and solve physical models is usually difficult when one encounters new engineering problems. Such difficulty comes from how to balance the time (simulation cost) and accuracy for the…

Artificial Intelligence · Computer Science 2022-02-03 Randi Wang , Morad Behandish

Deep generative models are a class of techniques that train deep neural networks to model the distribution of training samples. Research has fragmented into various interconnected approaches, each of which make trade-offs including…

Machine Learning · Computer Science 2022-03-29 Sam Bond-Taylor , Adam Leach , Yang Long , Chris G. Willcocks

Although various structural optimization techniques have a sound mathematical basis, the practical constructability of optimal designs poses a great challenge in the manufacturing stage. Currently, there is only a limited number of unified…

Numerical Analysis · Mathematics 2024-07-19 Lowhikan Sivanantha Sarma , Chinthaka Mallikarachchi , Sumudu Herath

The design of high-performance optical systems remains a specialized domain gated by the limited availability of expert engineers, creating a bottleneck that stalls innovation despite the growing demand for imaging hardware. While deep…

Optics · Physics 2026-02-17 Roy Maman , David Ohana , Jacob Engelberg , Uriel Levy

This work proposes a data-driven surrogate modeling framework for cost-effectively inferring the torque of a permanent magnet synchronous machine under geometric design variations. The framework is separated into a reduced-order modeling…

Computational Engineering, Finance, and Science · Computer Science 2025-03-13 Aylar Partovizadeh , Sebastian Schöps , Dimitrios Loukrezis

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

Given (small amounts of) time-series' data from a high-dimensional, fine-grained, multiscale dynamical system, we propose a generative framework for learning an effective, lower-dimensional, coarse-grained dynamical model that is predictive…

Machine Learning · Statistics 2021-01-18 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis

This paper introduces a practical sampling method for training surrogate models in the context of uncertainty propagation. We propose a heuristic method to uniformly draw samples within highest density regions of the density given by the…

Methodology · Statistics 2025-09-15 Jocelyn Minini , Micha Wasem

Photonic surfaces designed with specific optical characteristics are becoming increasingly important for use in in various energy harvesting and storage systems. , In this study, we develop a surrogate-based optimization approach for…

Optimization and Control · Mathematics 2024-07-08 Luka Grbcic , Minok Park , Juliane Müller , Vassilia Zorba , Wibe Albert de Jong

Modeling groundwater flow in three-dimensional fractured crystalline media requires accounting for strong spatial heterogeneity induced by fractures. Fine-scale discrete fracture-matrix (DFM) simulations can capture this complexity but are…

Machine Learning · Computer Science 2026-04-06 Martin Špetlík , Jan Březina
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