English
Related papers

Related papers: Molecule Generation Experience: An Open Platform o…

200 papers

While generative AI enables high-fidelity UI generation from text prompts, users struggle to articulate design intent and evaluate or refine results-creating gulfs of execution and evaluation. To understand the information needed for UI…

Human-Computer Interaction · Computer Science 2026-02-10 Seokhyeon Park , Soohyun Lee , Eugene Choi , Hyunwoo Kim , Minkyu Kweon , Yumin Song , Jinwook Seo

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

The rapid advance of generative AI is reshaping the strategic vision for R&D across industries. The unique challenges of pharmaceutical R&D will see applications of generative AI deliver value along the entire value chain from early…

Quantitative Methods · Quantitative Biology 2023-12-21 Guy Doron , Sam Genway , Mark Roberts , Sai Jasti

Design generation, in its essence, is a step-by-step process where designers progressively refine and enhance their work through careful modifications. Despite this fundamental characteristic, existing approaches mainly treat design…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Faizan Farooq Khan , K J Joseph , Koustava Goswami , Mohamed Elhoseiny , Balaji Vasan Srinivasan

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

Generative artificial intelligence (AI) technology is revolutionizing the computing industry. Not only its applications have broadened to various sectors but also poses new system design and optimization opportunities. The technology is…

The discovery of new energetic materials remains a pressing challenge hindered by limited availability of high-quality data. To address this, we have developed generative molecular language models that have been pretrained on extensive…

The generation of molecules with desired properties has become increasingly popular, revolutionizing the way scientists design molecular structures and providing valuable support for chemical and drug design. However, despite the potential…

Machine Learning · Computer Science 2024-03-05 Yin Fang , Ningyu Zhang , Zhuo Chen , Lingbing Guo , Xiaohui Fan , Huajun Chen

Deep generative models have been shown powerful in generating novel molecules with desired chemical properties via their representations such as strings, trees or graphs. However, these models are limited in recommending synthetic routes…

Artificial Intelligence · Computer Science 2022-08-02 Dai Hai Nguyen , Koji Tsuda

Malleable software can profoundly change how users interact with digital content, enabling non-experts to create their own customized tools. However, the practical adoption of GenUI systems faces several barriers, which I unpack in this…

Human-Computer Interaction · Computer Science 2026-04-21 Besjon Cifliku

Generative artificial intelligence (AI) is rapidly transforming medical imaging by enabling capabilities such as data synthesis, image enhancement, modality translation, and spatiotemporal modeling. This review presents a comprehensive and…

Image and Video Processing · Electrical Eng. & Systems 2025-08-14 Xuanru Zhou , Cheng Li , Shuqiang Wang , Ye Li , Tao Tan , Hairong Zheng , Shanshan Wang

Generative AI is transforming enterprise application development by enabling machines to create content, code, and designs. These models, however, demand substantial computational power and data management. Cloud computing addresses these…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-10 Dhavalkumar Patel , Ganesh Raut , Satya Narayan Cheetirala , Girish N Nadkarni , Robert Freeman , Benjamin S. Glicksberg , Eyal Klang , Prem Timsina

It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…

Artificial Intelligence · Computer Science 2023-03-27 Aparna S. Varde , Jianyu Liang

This article reports prototype web apps that use commodity, open-source technologies for augmented and virtual reality to provide immersive, interactive human-computer interfaces for chemistry, structural biology and related disciplines.…

Human-Computer Interaction · Computer Science 2018-08-13 Luciano A. Abriata

AI-based molecule generation provides a promising approach to a large area of biomedical sciences and engineering, such as antibody design, hydrolase engineering, or vaccine development. Because the molecules are governed by physical laws,…

Machine Learning · Computer Science 2022-09-05 Lemeng Wu , Chengyue Gong , Xingchao Liu , Mao Ye , Qiang Liu

The task of image generation started to receive some attention from artists and designers to inspire them in new creations. However, exploiting the results of deep generative models such as Generative Adversarial Networks can be long and…

Computer Vision and Pattern Recognition · Computer Science 2021-04-05 Baptiste Rozière , Morgane Riviere , Olivier Teytaud , Jérémy Rapin , Yann LeCun , Camille Couprie

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Machine Learning · Computer Science 2022-09-14 Bing Su , Dazhao Du , Zhao Yang , Yujie Zhou , Jiangmeng Li , Anyi Rao , Hao Sun , Zhiwu Lu , Ji-Rong Wen

Context: The rapid emergence of generative AI (GenAI) tools has begun to reshape various software engineering activities. Yet, their adoption within agile environments remains underexplored. Objective: This study investigates how agile…

Generative models cover various application areas, including image, video and music synthesis, natural language processing, and molecular design, among many others. As digital generative models become larger, scalable inference in a fast…

Neural and Evolutionary Computing · Computer Science 2025-08-28 Shiqi Chen , Yuhang Li , Hanlong Chen , Aydogan Ozcan

We present a web application for the procedural generation of transformations of 3D models. We generate the transformations by algorithmically generating the vertex shaders of the 3D models. The vertex shaders are created with an…

Graphics · Computer Science 2016-08-30 Juan C. Quiroz , Sergiu M. Dascalu
‹ Prev 1 8 9 10 Next ›