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The rise of machine learning has fueled the discovery of new materials and, especially, metamaterials--truss lattices being their most prominent class. While their tailorable properties have been explored extensively, the design of…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Li Zheng , Konstantinos Karapiperis , Siddhant Kumar , Dennis M. Kochmann

As one of the most advanced techniques in AI, Retrieval-Augmented Generation (RAG) can offer reliable and up-to-date external knowledge, providing huge convenience for numerous tasks. Particularly in the era of AI-Generated Content (AIGC),…

Computation and Language · Computer Science 2024-06-18 Wenqi Fan , Yujuan Ding , Liangbo Ning , Shijie Wang , Hengyun Li , Dawei Yin , Tat-Seng Chua , Qing Li

The synthesis of inorganic crystalline materials is essential for modern technology, especially in quantum materials development. However, designing efficient synthesis workflows remains a significant challenge due to the precise…

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

The rapid design of advanced materials is a topic of great scientific interest. The conventional, ``forward'' paradigm of materials design involves evaluating multiple candidates to determine the best candidate that matches the target…

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

Machine Learning · Computer Science 2026-02-11 Cheng Zeng , Zulqarnain Khan , Nathan L. Post

This study presents a novel framework for smart search in digital archival systems, leveraging the capabilities of Large Language Models (LLMs) to enhance information retrieval. By employing a Retrieval-Augmented Generation (RAG) approach,…

Artificial Intelligence · Computer Science 2025-01-14 Ha Dung Nguyen , Thi-Hoang Anh Nguyen , Thanh Binh Nguyen

This paper presents a novel Generative Neural Network Architecture for modelling the inverse function of an Artificial Neural Network (ANN) either completely or partially. Modelling the complete inverse function of an ANN involves…

Machine Learning · Computer Science 2021-04-09 Mohammad Aaftab , Mansi Sharma

Composite materials with 3D architectures are desirable in a variety of applications for the capability of tailoring their properties to meet multiple functional requirements. By the arrangement of materials' internal components, structure…

Materials Science · Physics 2023-02-28 Zhengyang Zhang , Han Fang , Zhao Xu , Jiajie Lv , Yao Shen , Yanming Wang

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL…

Understanding large-scale, complex software systems is a major challenge for developers, who spend a significant portion of their time on program comprehension. Traditional tools such as static visualizations and reverse engineering…

Software Engineering · Computer Science 2025-08-11 Yoseph Berhanu Alebachew

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as…

Materials Science · Physics 2024-08-15 Yan Chen , Xueru Wang , Xiaobin Deng , Yilun Liu , Xi Chen , Yunwei Zhang , Lei Wang , Hang Xiao

Large language models (LLMs) have reshaped the research landscape by enabling new approaches to knowledge retrieval and creative ideation. Yet their application in discipline-specific experimental science, particularly in highly…

Machine Learning · Computer Science 2025-08-12 Rachel K. Luu , Jingyu Deng , Mohammed Shahrudin Ibrahim , Nam-Joon Cho , Ming Dao , Subra Suresh , Markus J. Buehler

Machine learning which is a sub-domain of an Artificial Intelligence which is finding various applications in manufacturing and material science sectors. In the present study, Deep Generative Modeling which a type of unsupervised machine…

Image and Video Processing · Electrical Eng. & Systems 2021-09-15 Akshansh Mishra , Tarushi Pathak

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine Learning · Computer Science 2025-11-11 Hyunsoo Park , Aron Walsh

Rapid identification of candidate materials with target properties has become a key task in materials science. Machine learning has emerged as an alternative to physics-based simulation, offering a faster and cheaper way to filter materials…

Artificial Intelligence · Computer Science 2026-05-19 Claire Schlesinger , Circe Hsu , Peter Schindler , Robin Walters

Inverse graphics -- the task of inverting an image into physical variables that, when rendered, enable reproduction of the observed scene -- is a fundamental challenge in computer vision and graphics. Successfully disentangling an image…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Peter Kulits , Haiwen Feng , Weiyang Liu , Victoria Abrevaya , Michael J. Black

Recent advances in meta-optics have enabled diverse functionalities in compact optical devices; however, conventional forward design approaches become inadequate as device complexity and scale grow. Inverse design offers a powerful…

Contemporary generative recommendation systems face significant challenges in handling multimodal data, eliminating algorithmic biases, and providing transparent decision-making processes. This paper introduces an enhanced generative…

Information Retrieval · Computer Science 2025-10-03 Bo Ma , Hang Li , ZeHua Hu , XiaoFan Gui , LuYao Liu , Simon Lau

Generation of photo-realistic images, semantic editing and representation learning are a few of many potential applications of high resolution generative models. Recent progress in GANs have established them as an excellent choice for such…

Computer Vision and Pattern Recognition · Computer Science 2021-12-13 Partha Ghosh , Dominik Zietlow , Michael J. Black , Larry S. Davis , Xiaochen Hu
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