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Related papers: Inverse Materials Design by Large Language Model-A…

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The ultimate aim of the study is to explore the inverse design of porous metamaterials using a deep learning-based generative framework. Specifically, we develop a property-variational autoencoder (pVAE), a variational autoencoder (VAE)…

Machine Learning · Computer Science 2025-07-25 Phu Thien Nguyen , Yousef Heider , Dennis M. Kochmann , Fadi Aldakheel

Large Language Models (LLMs) are widely used for tasks such as natural language and code generation, but their outputs often suffer from issues like hallucination, toxicity, and incorrect results. Current libraries for structured LLM…

Software Engineering · Computer Science 2025-03-04 Shubham Ugare , Rohan Gumaste , Tarun Suresh , Gagandeep Singh , Sasa Misailovic

Generating molecules with desired chemical properties presents a critical challenge in fields such as chemical synthesis and drug discovery. Recent advancements in artificial intelligence (AI) and deep learning have significantly…

Machine Learning · Computer Science 2025-09-25 Chen Li , Huidong Tang , Ye Zhu , Yoshihiro Yamanishi

In this paper, we explore machine translation improvement via Generative Adversarial Network (GAN) architecture. We take inspiration from RelGAN, a model for text generation, and NMT-GAN, an adversarial machine translation model, to…

Computation and Language · Computer Science 2021-12-01 Jay Ahn , Hari Madhu , Viet Nguyen

Large language models (LLMs) are proven to benefit a lot from retrieval-augmented generation (RAG) in alleviating hallucinations confronted with knowledge-intensive questions. RAG adopts information retrieval techniques to inject external…

Computation and Language · Computer Science 2024-10-10 Junda Zhu , Lingyong Yan , Haibo Shi , Dawei Yin , Lei Sha

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

We show that pre-trained Generative Adversarial Networks (GANs) such as StyleGAN and BigGAN can be used as a latent bank to improve the performance of image super-resolution. While most existing perceptual-oriented approaches attempt to…

Computer Vision and Pattern Recognition · Computer Science 2022-08-01 Kelvin C. K. Chan , Xiangyu Xu , Xintao Wang , Jinwei Gu , Chen Change Loy

Cold metals are a class of metals with an intrinsic energy gap located close to the Fermi level, which enables cold-carrier injection for steep-slope transistors and is therefore promising for low-power electronic applications.…

Materials Science · Physics 2026-03-17 Kedeng Wu , Yucheng Zhu , Yan Chen , Bizhu Zhang , Shuyu Liu , Xiaobin Deng , Yabei Wu , Liangliang Zhu , Hang Xiao

Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystalline materials that can be described by unit cells…

Machine Learning · Computer Science 2026-05-01 Yan Lin , Jilin Hu , N. M. Anoop Krishnan , Morten M. Smedskjaer

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to efficient carbon capture and separation technologies. However,…

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…

Materials Science · Physics 2024-06-17 Izumi Takahara , Kiyou Shibata , Teruyasu Mizoguchi

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Large Language Models (LLMs) are computational models capable of performing complex natural language processing tasks. Leveraging these capabilities, LLMs hold the potential to transform the entire hardware design stack, with predictions…

Artificial Intelligence · Computer Science 2024-09-19 Mubashir ul Islam , Humza Sami , Pierre-Emmanuel Gaillardon , Valerio Tenace

Deep generative models provide powerful tools for distributions over complicated manifolds, such as those of natural images. But many of these methods, including generative adversarial networks (GANs), can be difficult to train, in part…

Machine Learning · Statistics 2017-11-08 Akash Srivastava , Lazar Valkov , Chris Russell , Michael U. Gutmann , Charles Sutton

A significant development towards inverse design of materials with well-defined target properties is reported. A deep generative model based on variational autoencoder (VAE), conditioned simultaneously by two target properties, is developed…

Materials Science · Physics 2023-11-23 Sourav Mal , Gaurav Seal , Prasenjit Sen

The emergence of deep generative models has recently enabled the automatic generation of massive amounts of graphical content, both in 2D and in 3D. Generative Adversarial Networks (GANs) and style control mechanisms, such as Adaptive…

Graphics · Computer Science 2020-04-28 Omry Sendik , Dani Lischinski , Daniel Cohen-Or

Video Multimodal Large Language Models (V-MLLMs) have shown impressive capabilities in temporal reasoning and cross-modal understanding, yet their vulnerability to adversarial attacks remains underexplored due to unique challenges: complex…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Jiaming Zhang , Rui Hu , Qing Guo , Wei Yang Bryan Lim

Generative artificial intelligence (GenAI) can rapidly produce large and diverse volumes of content. This lends to it a quality of creativity which can be empowering in the early stages of design. In seeking to understand how creative ways…

Human-Computer Interaction · Computer Science 2024-03-20 Gionnieve Lim , Simon T. Perrault