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Deep generative models are proven to be a useful tool for automatic design synthesis and design space exploration. When applied in engineering design, existing generative models face three challenges: 1) generated designs lack diversity and…

Machine Learning · Computer Science 2021-08-17 Wei Chen , Faez Ahmed

The rapid advancement of Artificial Intelligence Generated Content (AIGC) techniques has unlocked opportunities in generating diverse and compelling advertising images based on referenced product images and textual scene descriptions. This…

Graphics · Computer Science 2025-08-19 Yiyun Chen , Weikai Yang

Efficiently generating energetically stable crystal structures has long been a challenge in material design, primarily due to the immense arrangement of atoms in a crystal lattice. To facilitate the discovery of stable material, we present…

Artificial Intelligence · Computer Science 2025-09-30 Zhelin Li , Rami Mrad , Runxian Jiao , Guan Huang , Jun Shan , Shibing Chu , Yuanping Chen

We present RoboGen, a generative robotic agent that automatically learns diverse robotic skills at scale via generative simulation. RoboGen leverages the latest advancements in foundation and generative models. Instead of directly using or…

While diffusion models excel at generating high-quality samples, their latent variables typically lack semantic meaning and are not suitable for representation learning. Here, we propose InfoDiffusion, an algorithm that augments diffusion…

Machine Learning · Computer Science 2023-06-16 Yingheng Wang , Yair Schiff , Aaron Gokaslan , Weishen Pan , Fei Wang , Christopher De Sa , Volodymyr Kuleshov

Although deep learning has achieved appealing results on several machine learning tasks, most of the models are deterministic at inference, limiting their application to single-modal settings. We propose a novel general-purpose framework…

Machine Learning · Computer Science 2020-10-12 Sameera Ramasinghe , Kanchana Ranasinghe , Salman Khan , Nick Barnes , Stephen Gould

With the growing demand for novel materials, machine learning-driven inverse design methods face significant challenges in reconciling the high-dimensional materials composition space with limited experimental data. Existing approaches…

Machine Learning · Computer Science 2025-07-02 Yeyong Yu , Xilei Bian , Jie Xiong , Xing Wu , Quan Qian

In recent years generative design techniques have become firmly established in numerous applied fields, especially in engineering. These methods are demonstrating intensive growth owing to promising outlook. However, existing approaches are…

Neural and Evolutionary Computing · Computer Science 2022-12-29 Nikita O. Starodubcev , Nikolay O. Nikitin , Konstantin G. Gavaza , Elizaveta A. Andronova , Denis O. Sidorenko , Anna V. Kalyuzhnaya

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce…

Materials Science · Physics 2024-07-02 Kamal Choudhary

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

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

Metamaterials, engineered materials with architected structures across multiple length scales, offer unprecedented and tunable mechanical properties that surpass those of conventional materials. However, leveraging advanced machine learning…

Data-driven design of mechanical metamaterials is an increasingly popular method to combat costly physical simulations and immense, often intractable, geometrical design spaces. Using a precomputed dataset of unit cells, a multiscale…

Computational Engineering, Finance, and Science · Computer Science 2021-12-08 Yu-Chin Chan , Faez Ahmed , Liwei Wang , Wei Chen

Material discovery is a critical research area with profound implications for various industries. In this work, we introduce MatExpert, a novel framework that leverages Large Language Models (LLMs) and contrastive learning to accelerate the…

Materials Science · Physics 2024-10-30 Qianggang Ding , Santiago Miret , Bang Liu

Generative modelling is a demanding test of foundation models, because it requires robust, holistic representation learning for a given data modality, rather than optimisation for a supervised prediction target alone. While recent work on…

Machine Learning · Computer Science 2026-05-12 Xiangjian Jiang , Mingxuan Liu , Nikola Simidjievski , Tassilo Klein , Mateja Jamnik

Proteins exist as a dynamic ensemble of multiple conformations, and these motions are often crucial for their functions. However, current structure prediction methods predominantly yield a single conformation, overlooking the conformational…

Biomolecules · Quantitative Biology 2025-06-18 Advaith Maddipatla , Nadav Bojan Sellam , Meital Bojan , Sanketh Vedula , Paul Schanda , Ailie Marx , Alex M. Bronstein

Probabilistic graphical models (PGMs) are widely used to discover latent structure in data, but their success hinges on selecting an appropriate model design. In practice, model specification is difficult and often requires iterative…

Machine Learning · Computer Science 2026-04-08 Kevin Zhang , Yixin Wang

In this work, we present Multimodal Equivariant Inverse Design Network (MEIDNet), a framework that jointly learns structural information and materials properties through contrastive learning, while encoding structures via an equivariant…

Materials Science · Physics 2026-01-30 Anand Babu , Rogério Almeida Gouvêa , Pierre Vandergheynst , Gian-Marco Rignanese

In this work, we introduce OmniGen2, a versatile and open-source generative model designed to provide a unified solution for diverse generation tasks, including text-to-image, image editing, and in-context generation. Unlike OmniGen v1,…

In the development of locally resonant metamaterials, the physical resonator design is often omitted and replaced by an idealized mass-spring system. This paper presents a novel approach for designing multimodal resonant structures, which…

Applied Physics · Physics 2024-11-05 Sander Dedoncker , Christian Donner , Raphael Bischof , Linus Taenzer , Bart Van Damme