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20172026
most citedDeep learning for molecular design - a review of the state of the art

741 citations · 772 across the 11 of their papers we have counts for

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6 papers · 1 filter

cs.LG2024

Inverse design with conditional cascaded diffusion models

Milad Habibi, Mark Fuge

Adjoint-based design optimizations are usually computationally expensive and those costs scale with resolution. To address this, researchers have proposed machine learning approach…

cs.LG2024

Bayesian Inverse Problems with Conditional Sinkhorn Generative Adversarial Networks in Least Volume Latent Spaces

Qiuyi Chen, Panagiotis Tsilifis, Mark Fuge

Solving inverse problems in scientific and engineering fields has long been intriguing and holds great potential for many applications, yet most techniques still struggle to addres…

cs.LG2024★ 3 cited

Least Volume Analysis

Qiuyi Chen, Cashen Diniz, Mark Fuge

This paper introduces Least Volume (LV)--a simple yet effective regularization method inspired by geometric intuition--that reduces the number of latent dimensions required by an a…

cs.LG2019★ 741 cited

Deep learning for molecular design - a review of the state of the art

Daniel C. Elton, Zois Boukouvalas, Mark D. Fuge +1

In the space of only a few years, deep generative modeling has revolutionized how we think of artificial creativity, yielding autonomous systems which produce original images, musi…

cs.LG2018

BézierGAN: Automatic Generation of Smooth Curves from Interpretable Low-Dimensional Parameters

Wei Chen, Mark Fuge

Many real-world objects are designed by smooth curves, especially in the domain of aerospace and ship, where aerodynamic shapes (e.g., airfoils) and hydrodynamic shapes (e.g., hull…

cs.LG2017★ 1 cited

Active Expansion Sampling for Learning Feasible Domains in an Unbounded Input Space

Wei Chen, Mark Fuge

Many engineering problems require identifying feasible domains under implicit constraints. One example is finding acceptable car body styling designs based on constraints like aest…