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Deep generative models have demonstrated effectiveness in learning compact and expressive design representations that significantly improve geometric design optimization. However, these models do not consider the uncertainty introduced by…

Machine Learning · Computer Science 2022-03-10 Wei Wayne Chen , Doksoo Lee , Wei Chen

Generative systems have a significant potential to synthesize innovative design alternatives. Still, most of the common systems that have been adopted in design require the designer to explicitly define the specifications of the procedures…

Machine Learning · Computer Science 2019-04-03 Ardavan Bidgoli , Pedro Veloso

A variety of optimization algorithms have been developed to solve engineering design problems in which the solution space is too large to manually determine the optimal solution. The Modular Optimization Framework (MOF) was developed to…

Neural and Evolutionary Computing · Computer Science 2022-04-04 Brian Andersen , Gregory Delipei , David Kropaczek , Jason Hou

Generative design is an increasingly important tool in the industrial world. It allows the designers and engineers to easily explore vast ranges of design options, providing a cheaper and faster alternative to the trial and failure…

Machine Learning · Computer Science 2023-06-09 Fouad Oubari , Raphael Meunier , Rodrigue Décatoire , Mathilde Mougeot

Synthesizability in small molecule generative design remains a bottleneck. Existing works that do consider synthesizability can output predicted synthesis routes for generated molecules. However, there has been minimal attention in…

Biomolecules · Quantitative Biology 2025-05-14 Jeff Guo , Víctor Sabanza-Gil , Zlatko Jončev , Jeremy S. Luterbacher , Philippe Schwaller

Current performance-driven building design methods are not widely adopted outside the research field for several reasons that make them difficult to integrate into a typical design process. In the early design phase, in particular, the…

Machine Learning · Computer Science 2022-04-19 Spyridon Ampanavos , Ali Malkawi

Generative AI has made remarkable progress in addressing various design challenges. One prominent area where generative AI could bring significant value is in engineering design. In particular, selecting an optimal set of components and…

Artificial Intelligence · Computer Science 2025-01-27 Yasaman Etesam , Hyunmin Cheong , Mohammadmehdi Ataei , Pradeep Kumar Jayaraman

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

Recent advances in generative models, particularly diffusion and auto-regressive models, have revolutionized fields like computer vision and natural language processing. However, their application to structure-based drug design (SBDD)…

Machine Learning · Computer Science 2025-07-29 Yi He , Ailun Wang , Zhi Wang , Yu Liu , Xingyuan Xu , Wen Yan

Urban design is a multifaceted process that demands careful consideration of site-specific constraints and collaboration among diverse professionals and stakeholders. The advent of generative artificial intelligence (GenAI) offers…

Artificial Intelligence · Computer Science 2025-06-02 Mingyi He , Yuebing Liang , Shenhao Wang , Yunhan Zheng , Qingyi Wang , Dingyi Zhuang , Li Tian , Jinhua Zhao

Advances in CAD and CAM have enabled engineers and design teams to digitally design parts with unprecedented ease. Software solutions now come with a range of modules for optimizing designs for performance requirements, generating…

Computational Engineering, Finance, and Science · Computer Science 2024-09-06 Hongrui Chen , Aditya Joglekar , Zack Rubinstein , Bradley Schmerl , Gary Fedder , Jan de Nijs , David Garlan , Stephen Smith , Levent Burak Kara

Interconnected complex systems usually undergo disruptions due to internal uncertainties and external negative impacts such as those caused by harsh operating environments or regional natural disaster events. To maintain the operation of…

Machine Learning · Computer Science 2022-07-05 Jiaxin Wu , Pingfeng Wang

The functionality of catalysts, enzymes, and supramolecular assemblies emerges not from individual molecules alone, but from the subtle interplay between multiple components arranged in complex systems. Designing such systems is a grand…

Computational Physics · Physics 2026-04-15 Rhyan Barrett , Robin Curth , Julia Westermayr

Rapid population growth and climate change drive urban renewal and urbanization at massive scales. New computational methods are needed to better support urban designers in developing sustainable, resilient, and livable urban environments.…

Applications · Statistics 2022-12-14 Yue Sun , Timur Dogan

We present GenMM, a generative model that "mines" as many diverse motions as possible from a single or few example sequences. In stark contrast to existing data-driven methods, which typically require long offline training time, are prone…

Graphics · Computer Science 2023-06-02 Weiyu Li , Xuelin Chen , Peizhuo Li , Olga Sorkine-Hornung , Baoquan Chen

This paper investigates the generative designing of a bracket that aids in the rotation of a linkage mounted on it with a revolute joint. Generative design is a term that is generally used when we care about weight reduction and performance…

Applied Physics · Physics 2021-01-13 Bashu Aman

Automated floorplanning or space layout planning has been a long-standing NP-hard problem in the field of computer-aided design, with applications in integrated circuits, architecture, urbanism, and operational research. In this paper, we…

Graphics · Computer Science 2021-02-23 Mohammad Keshavarzi , Mohammad Rahmani-Asl

Generative models in molecular design tend to be richly parameterized, data-hungry neural models, as they must create complex structured objects as outputs. Estimating such models from data may be challenging due to the lack of sufficient…

Machine Learning · Computer Science 2021-08-17 Kevin Yang , Wengong Jin , Kyle Swanson , Regina Barzilay , Tommi Jaakkola

Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional…

Materials Science · Physics 2022-09-21 Lai Wei , Nihang Fu , Yuqi Song , Qian Wang , Jianjun Hu

The discovery of Metal-Organic Frameworks (MOFs) with application-specific properties remains a central challenge in materials chemistry, owing to the immense size and complexity of their structural design space. Conventional computational…

Machine Learning · Computer Science 2025-06-03 Srivathsan Badrinarayanan , Rishikesh Magar , Akshay Antony , Radheesh Sharma Meda , Amir Barati Farimani