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Inverse lithography (ILT) is critical for modern semiconductor manufacturing but suffers from highly non-convex objectives that often trap optimization in poor local minima. Generative AI has been explored to warm-start ILT, yet most…

Machine Learning · Computer Science 2026-02-24 Haoyu Yang , Haoxing Ren

A major challenge in reinforcement learning is to determine which state-action pairs are responsible for future rewards that are delayed. Reward redistribution serves as a solution to re-assign credits for each time step from observed…

Machine Learning · Computer Science 2023-11-14 Yudi Zhang , Yali Du , Biwei Huang , Ziyan Wang , Jun Wang , Meng Fang , Mykola Pechenizkiy

The inverse design of metamaterial architectures presents a significant challenge, particularly for nonlinear mechanical properties involving large deformations, buckling, contact, and plasticity. Traditional methods, such as gradient-based…

Computational Physics · Physics 2025-05-29 Qibang Liu , Seid Koric , Diab Abueidda , Hadi Meidani , Philippe Geubelle

Two fundamental challenges face generative models in engineering applications: the acquisition of high-performing, diverse datasets, and the adherence to precise constraints in generated designs. We propose a novel approach combining…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Adam Gaier , James Stoddart , Lorenzo Villaggi , Shyam Sudhakaran

Generative machine learning models have revolutionized material discovery by capturing complex structure-property relationships, yet extending these approaches to the inverse design of three-dimensional metamaterials remains limited by…

Computational Engineering, Finance, and Science · Computer Science 2026-04-27 Li Zheng , Siddhant Kumar , Dennis M. Kochmann

Generative retrieval represents a novel approach to information retrieval. It uses an encoder-decoder architecture to directly produce relevant document identifiers (docids) for queries. While this method offers benefits, current approaches…

Information Retrieval · Computer Science 2024-09-30 Yubao Tang , Ruqing Zhang , Jiafeng Guo , Maarten de Rijke , Wei Chen , Xueqi Cheng

Retrieval-Augmented Generation (RAG) systems traditionally treat retrieval and generation as separate processes, requiring explicit textual queries to connect them. This separation can limit the ability of models to generalize across…

Computation and Language · Computer Science 2025-09-19 Wenzheng Zhang , Xi Victoria Lin , Karl Stratos , Wen-tau Yih , Mingda Chen

Accelerated materials discovery is an urgent demand to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerged as a transformative approach for rapidly discovering new…

Metasurfaces have enabled precise electromagnetic wave manipulation with strong potential to obtain unprecedented functionalities and multifunctional behavior in flat optical devices. These advantages in precision and functionality come at…

Metasurfaces are subwavelength-structured artificial media that can shape and localize electromagnetic waves in unique ways. The inverse design of these devices is a non-convex optimization problem in a high dimensional space, making global…

Computational Physics · Physics 2019-11-22 Jiaqi Jiang , Jonathan A. Fan

Reconfigurable intelligent surface (RIS) is a two-dimensional periodic structure integrated with a large number of reflective elements, which can manipulate electromagnetic waves in a digital way, offering great potentials for wireless…

Machine Learning · Computer Science 2025-01-22 Zhen Zhang , Jun Hui Qiu , Jun Wei Zhang , Hui Dong Li , Dong Tang , Qiang Cheng , Wei Lin

Fast and accurate prediction of optimal crystal structure, topology, and microstructures is important for accelerating the design and discovery of new materials. A challenge lies in the exorbitantly large structural and compositional space…

Generative foundation models are susceptible to implicit biases that can arise from extensive unsupervised training data. Such biases can produce suboptimal samples, skewed outcomes, and unfairness, with potentially serious consequences.…

Machine Learning · Computer Science 2023-12-04 Hanze Dong , Wei Xiong , Deepanshu Goyal , Yihan Zhang , Winnie Chow , Rui Pan , Shizhe Diao , Jipeng Zhang , Kashun Shum , Tong Zhang

Temporal metamaterials, created by modulating the refractive index in time, offer powerful means of controlling wave propagation but still lack a systematic design methodology. Here, we develop an analytic inverse-design framework rooted in…

Optical devices lie at the heart of most of the technology we see around us. When one actually wants to make such an optical device, one can predict its optical behavior using computational simulations of Maxwell's equations. If one then…

Machine Learning · Computer Science 2022-02-09 Joeri Lenaerts , Hannah Pinson , Vincent Ginis

Retrieval-augmented generation (RAG) equips large language models (LLMs) with reliable knowledge memory. To strengthen cross-text associations, recent research integrates graphs and hypergraphs into RAG to capture pairwise and multi-entity…

Information Retrieval · Computer Science 2026-02-10 Xingliang Hou , Yuyan Liu , Qi Sun , haoxiu wang , Hao Hu , Shaoyi Du , Zhiqiang Tian

A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit…

Machine Learning · Computer Science 2020-06-30 Yabo Dan , Yong Zhao , Xiang Li , Shaobo Li , Ming Hu , Jianjun Hu

Advances in material functionalities drive innovations across various fields, where metamaterials-defined by structure rather than composition-are leading the way. Despite the rise of artificial intelligence (AI)-driven design strategies,…

Computational Engineering, Finance, and Science · Computer Science 2025-09-03 Namjung Kim , Dongseok Lee , Jongbin Yu , Sung Woong Cho , Dosung Lee , Yesol Park , Youngjoon Hong

In an era where visual content generation is increasingly driven by machine learning, the integration of human feedback into generative models presents significant opportunities for enhancing user experience and output quality. This study…

Computer Vision and Pattern Recognition · Computer Science 2023-07-20 Dimitri von Rütte , Elisabetta Fedele , Jonathan Thomm , Lukas Wolf

Generative design refers to computational design methods that can automatically conduct design exploration under constraints defined by designers. Among many approaches, topology optimization-based generative designs aim to explore diverse…

Computer Vision and Pattern Recognition · Computer Science 2022-10-04 Seowoo Jang , Soyoung Yoo , Namwoo Kang