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Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled…

Biomolecules · Quantitative Biology 2026-02-05 Nayoung Kim , Seongsu Kim , Sungsoo Ahn

Machine learning has recently emerged as a powerful tool for generating new molecular and material structures. The success of state-of-the-art models stems from their ability to incorporate physical symmetries, such as translation,…

Machine Learning · Computer Science 2024-05-16 Bingqing Cheng

Diffusion Transformers (DiTs) have demonstrated strong performance in generative modeling, particularly in image synthesis, making them a compelling choice for molecular conformer generation. However, applying DiTs to molecules introduces…

Machine Learning · Computer Science 2025-11-12 J. Thorben Frank , Winfried Ripken , Gregor Lied , Klaus-Robert Müller , Oliver T. Unke , Stefan Chmiela

Laser Powder Bed Fusion has become a widely adopted method for metal Additive Manufacturing (AM) due to its ability to mass produce complex parts with increased local control. However, AM produced parts can be subject to undesirable…

Machine Learning · Computer Science 2022-05-13 Francis Ogoke , Kyle Johnson , Michael Glinsky , Chris Laursen , Sharlotte Kramer , Amir Barati Farimani

Modern learning-based approaches to 3D-aware image synthesis achieve high photorealism and 3D-consistent viewpoint changes for the generated images. Existing approaches represent instances in a shared canonical space. However, for…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Katja Schwarz , Seung Wook Kim , Jun Gao , Sanja Fidler , Andreas Geiger , Karsten Kreis

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes…

The efficiency of multi-agent systems driven by large language models (LLMs) largely hinges on their communication topology. However, designing an optimal topology is a non-trivial challenge, as it requires balancing competing objectives…

Computation and Language · Computer Science 2026-05-19 Eric Hanchen Jiang , Mengting Li , Guancheng Wan , Sophia Yin , Yuchen Wu , Xiao Liang , Xinfeng Li , Yizhou Sun , Wei Wang , Kai-Wei Chang , Ying Nian Wu

We introduce Efficient Motion Diffusion Model (EMDM) for fast and high-quality human motion generation. Current state-of-the-art generative diffusion models have produced impressive results but struggle to achieve fast generation without…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Wenyang Zhou , Zhiyang Dou , Zeyu Cao , Zhouyingcheng Liao , Jingbo Wang , Wenjia Wang , Yuan Liu , Taku Komura , Wenping Wang , Lingjie Liu

Generative models such as AlphaFold and MatterGen can directly generate novel material structures with desired properties, accelerating the new materials discovery and revolutionizing the material design paradigm from traditional…

A layout to image (L2I) generation model aims to generate a complicated image containing multiple objects (things) against natural background (stuff), conditioned on a given layout. Built upon the recent advances in generative adversarial…

Computer Vision and Pattern Recognition · Computer Science 2021-03-23 Sen He , Wentong Liao , Michael Ying Yang , Yongxin Yang , Yi-Zhe Song , Bodo Rosenhahn , Tao Xiang

Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

Soft Condensed Matter · Physics 2025-09-18 Kijung Kim , Seungwook Hong , Wonjun Jung , Wooseok Kim , Namjung Kim , Howon Lee

Latent Diffusion Models (LDMs) are generally trained at fixed resolutions, limiting their capability when scaling up to high-resolution images. While training-based approaches address this limitation by training on high-resolution datasets,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Sangmin Han , Jinho Jeong , Jinwoo Kim , Seon Joo Kim

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Enhancing the efficiency of high-quality image generation using Diffusion Models (DMs) is a significant challenge due to the iterative nature of the process. Flow Matching (FM) is emerging as a powerful generative modeling paradigm based on…

Computer Vision and Pattern Recognition · Computer Science 2025-05-28 Pascal Zwick , Nils Friederich , Maximilian Beichter , Lennart Hilbert , Ralf Mikut , Oliver Bringmann

We introduce Generator Matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Markov process, which we leverage for generative modeling in a…

Machine Learning · Computer Science 2025-02-28 Peter Holderrieth , Marton Havasi , Jason Yim , Neta Shaul , Itai Gat , Tommi Jaakkola , Brian Karrer , Ricky T. Q. Chen , Yaron Lipman

We study the problem of 3D object generation. We propose a novel framework, namely 3D Generative Adversarial Network (3D-GAN), which generates 3D objects from a probabilistic space by leveraging recent advances in volumetric convolutional…

Computer Vision and Pattern Recognition · Computer Science 2017-01-05 Jiajun Wu , Chengkai Zhang , Tianfan Xue , William T. Freeman , Joshua B. Tenenbaum

Diffusion Models (DMs) have achieved State-Of-The-Art (SOTA) results in the Lidar point cloud generation task, benefiting from their stable training and iterative refinement during sampling. However, DMs often fail to realistically model…

Computer Vision and Pattern Recognition · Computer Science 2024-04-09 Hamed Haghighi , Amir Samadi , Mehrdad Dianati , Valentina Donzella , Kurt Debattista

Flow-based Transformer models have achieved state-of-the-art image generation performance, but often suffer from high inference latency and computational cost due to their large parameter sizes. To improve inference efficiency without…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Yuhang Ma , Bo Cheng , Shanyuan Liu , Hongyi Zhou , Liebucha Wu , Dawei Leng , Yuhui Yin

Generating high-fidelity 3D geometries that satisfy specific parameter constraints has broad applications in design and engineering. However, current methods typically rely on large training datasets and struggle with controllability and…

Machine Learning · Computer Science 2026-01-21 Ghadi Nehme , Yanxia Zhang , Dule Shu , Matt Klenk , Faez Ahmed

While 3D content generation has advanced significantly, existing methods still face challenges with input formats, latent space design, and output representations. This paper introduces a novel 3D generation framework that addresses these…

Computer Vision and Pattern Recognition · Computer Science 2025-04-11 Yushi Lan , Shangchen Zhou , Zhaoyang Lyu , Fangzhou Hong , Shuai Yang , Bo Dai , Xingang Pan , Chen Change Loy