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Carefully designed activation functions can improve the performance of neural networks in many machine learning tasks. However, it is difficult for humans to construct optimal activation functions, and current activation function search…

Machine Learning · Computer Science 2023-11-10 Garrett Bingham , Risto Miikkulainen

A key challenge in metasurface design is the development of algorithms that can effectively and efficiently produce high performance devices. Design methods based on iterative optimization can push the performance limits of metasurfaces,…

3D generative models of objects enable photorealistic image synthesis with 3D control. Existing methods model the scene as a global scene representation, ignoring the compositional aspect of the scene. Compositional reasoning can enable a…

Graphics · Computer Science 2022-11-01 Mallikarjun BR , Ayush Tewari , Xingang Pan , Mohamed Elgharib , Christian Theobalt

Surrogate models are widely used in mechanical design and manufacturing process optimization, where high-fidelity computational models may be unavailable or prohibitively expensive. Their effectiveness, however, is often limited by data…

Machine Learning · Computer Science 2026-03-03 Bingran Wang , Seongha Jeong , Sebastiaan P. C. van Schie , Dongyeon Han , Jaeho Min , John T. Hwang

Layout designs are encountered in a variety of fields. For problems with many design degrees of freedom, efficiency of design methods becomes a major concern. In recent years, machine learning methods such as artificial neural networks have…

Machine Learning · Computer Science 2021-02-01 Chao Qian , Renkai Tan , Wenjing Ye

Chemical plant design and optimisation have proven challenging due to the complexity of these real-world systems. The resulting complexity translates into high computational costs for these systems' mathematical formulations and simulation…

Neural and Evolutionary Computing · Computer Science 2022-04-28 Liezl Stander , Matthew Woolway , Terence L. Van Zyl

Most existing 3D assembly methods treat the problem as pure pose estimation, rearranging observed parts via rigid transformations. In contrast, human assembly naturally couples structural reasoning with holistic shape inference. Inspired by…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Zeyu Jiang , Sihang Li , Siqi Tan , Chenyang Xu , Juexiao Zhang , Julia Galway-Witham , Xue Wang , Scott A. Williams , Radu Iovita , Chen Feng , Jing Zhang

Generative design has been growing across the design community as a viable method for design space exploration. Thermal design is more complex than mechanical or aerodynamic design because of the additional convection-diffusion equation and…

Machine Learning · Computer Science 2022-08-18 Hadi Keramati , Feridun Hamdullahpur

Surrogate models provide a quick-to-evaluate approximation to complex computational models and are essential for multi-query problems like design optimisation. The inputs of current deterministic computational models are usually…

Applications · Statistics 2024-10-15 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

Gradient-based optimization of engineering designs is limited by non-differentiable components in the typical computer-aided engineering (CAE) workflow, which calculates performance metrics from design parameters. While gradient-based…

Computational Engineering, Finance, and Science · Computer Science 2025-11-17 Andrin Rehmann , Nolan Black , Josiah Bjorgaard , Alessandro Angioi , Andrei Paleyes , Niklas Heim , Dion Häfner , Alexander Lavin

In this work, we present some recommendations on the evaluation of state-of-the-art generative models for constrained generation tasks. The progress on generative models has been rapid in recent years. These large-scale models have had…

Human-Computer Interaction · Computer Science 2022-12-02 Vikas Raunak , Matt Post , Arul Menezes

Generative AI tools are becoming more prevalent in 3D modeling, enabling users to manipulate or create new models with text or images as inputs. This makes it easier for users to rapidly customize and iterate on their 3D designs and explore…

Human-Computer Interaction · Computer Science 2024-04-18 Faraz Faruqi , Yingtao Tian , Vrushank Phadnis , Varun Jampani , Stefanie Mueller

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Building a surrogate model of an objective function has shown to be effective to assist evolutionary algorithms (EAs) to solve real-world complex optimisation problems which involve either computationally expensive numerical simulations or…

Neural and Evolutionary Computing · Computer Science 2020-02-11 Xiaoran Ruan , Ke Li , Bilel Derbel , Arnaud Liefooghe

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

Deep learning has recently been applied to various research areas of design optimization. This study presents the need and effectiveness of adopting deep learning for generative design (or design exploration) research area. This work…

Machine Learning · Computer Science 2020-05-27 Sangeun Oh , Yongsu Jung , Seongsin Kim , Ikjin Lee , Namwoo Kang

In aerodynamic shape optimization, the convergence and computational cost are greatly affected by the representation capacity and compactness of the design space. Previous research has demonstrated that using a deep generative model to…

Machine Learning · Computer Science 2021-01-11 Wei Chen , Arun Ramamurthy

We propose a data-driven 3D shape design method that can learn a generative model from a corpus of existing designs, and use this model to produce a wide range of new designs. The approach learns an encoding of the samples in the training…

We propose a new approach for building recommender systems by adapting surrogate-assisted interactive genetic algorithms. A pool of user-evaluated items is used to construct an approximative model which serves as a surrogate fitness…

Neural and Evolutionary Computing · Computer Science 2019-08-09 Thomas Gabor , Philipp Altmann

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong