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Cryo-electron microscopy (cryo-EM) is unique among tools in structural biology in its ability to image large, dynamic protein complexes. Key to this ability is image processing algorithms for heterogeneous cryo-EM reconstruction, including…

Quantitative Methods · Quantitative Biology 2022-11-28 Karsten Kreis , Tim Dockhorn , Zihao Li , Ellen Zhong

Over the past year, the field of Natural Language Generation (NLG) has experienced an exponential surge, largely due to the introduction of Large Language Models (LLMs). These models have exhibited the most effective performance in a range…

Computation and Language · Computer Science 2024-04-22 Lasal Jayawardena , Prasan Yapa

Diffusion large language models (dLLMs) enable parallel generation and are promising for unit test generation (UTG), where efficient and large-scale automated testing is essential in software development. Despite this advantage, their…

Software Engineering · Computer Science 2026-02-12 Lekang Yang , Yuetong Liu , Yitong Zhang , Jia Li

Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…

Materials Science · Physics 2022-04-13 Yiqun Wang , Xiao-Jie Zhang , Fei Xia , Elsa A. Olivetti , Ram Seshadri , James M. Rondinelli

While most autoregressive LLMs are constrained to one-by-one decoding, diffusion LLMs (dLLMs) have attracted growing interest for their potential to dramatically accelerate inference through parallel decoding. Despite this promise, the…

In silico design and optimization of new materials primarily relies on high-accuracy atomic simulators that perform density functional theory (DFT) calculations. While recent works showcase the strong potential of machine learning to…

Machine Learning · Computer Science 2025-09-30 Prashant Govindarajan , Mathieu Reymond , Antoine Clavaud , Mariano Phielipp , Santiago Miret , Sarath Chandar

Text-to-image generation has advanced rapidly with diffusion models, progressing from CLIP and T5 conditioning to unified systems where a single LLM backbone handles both visual understanding and generation. Despite the architectural…

Computer Vision and Pattern Recognition · Computer Science 2026-05-06 Sucheng Ren , Chen Chen , Zhenbang Wang , Liangchen Song , Xiangxin Zhu , Alan Yuille , Liang-Chieh Chen , Jiasen Lu

Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from $10^{23}$ to $10^{60}$ possible synthesizable candidates. While various deep generative models have been…

Machine Learning · Computer Science 2025-08-25 Kamran Chitsaz , Roshan Balaji , Quentin Fournier , Nirav Pravinbhai Bhatt , Sarath Chandar

This paper introduces Multi-Garment Customized Model Generation, a unified framework based on Latent Diffusion Models (LDMs) aimed at addressing the unexplored task of synthesizing images with free combinations of multiple pieces of…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Yichen Liu , Penghui Du , Yi Liu Quanwei Zhang

Masked Diffusion Language Models (MDLMs) enable parallel token decoding, providing a promising alternative to the sequential nature of autoregressive generation. However, their iterative denoising process remains computationally expensive…

Computation and Language · Computer Science 2026-03-10 Younjoo Lee , Junghoo Lee , Seungkyun Dan , Jaiyoung Park , Jung Ho Ahn

In this paper, we introduce LGTM, a novel Local-to-Global pipeline for Text-to-Motion generation. LGTM utilizes a diffusion-based architecture and aims to address the challenge of accurately translating textual descriptions into…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Haowen Sun , Ruikun Zheng , Haibin Huang , Chongyang Ma , Hui Huang , Ruizhen Hu

In this paper, we present a novel diagnostic framework that integrates Knowledge Graphs (KGs) and Large Language Models (LLMs) to support system diagnostics in high-reliability systems such as nuclear power plants. Traditional diagnostic…

Artificial Intelligence · Computer Science 2025-09-01 Saman Marandi , Yu-Shu Hu , Mohammad Modarres

We propose a method to fuse frozen text-only large language models (LLMs) with pre-trained image encoder and decoder models, by mapping between their embedding spaces. Our model demonstrates a wide suite of multimodal capabilities: image…

Computation and Language · Computer Science 2023-10-16 Jing Yu Koh , Daniel Fried , Ruslan Salakhutdinov

In this paper, we presents a novel method for improving text-to-image generation by combining Large Language Models (LLMs) with diffusion models, a hybrid approach aimed at achieving both higher quality and efficiency in image synthesis…

Computation and Language · Computer Science 2025-02-04 Julian Perry , Frank Sanders , Carter Scott

Unified Multimodal Models (UMMs) have demonstrated remarkable performance in text-to-image generation (T2I) and editing (TI2I), whether instantiated as assembled unified frameworks which couple powerful vision-language model (VLM) with…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Yuxin Song , Wenkai Dong , Shizun Wang , Qi Zhang , Song Xue , Tao Yuan , Hu Yang , Haocheng Feng , Hang Zhou , Xinyan Xiao , Jingdong Wang

Retrieval-Augmented Generation (RAG) systems leverage Large Language Models (LLMs) to generate accurate and reliable responses that are grounded in retrieved context. However, LLMs often generate inconsistent outputs for semantically…

Computation and Language · Computer Science 2025-10-17 Xujun Peng , Anoop Kumar , Jingyu Wu , Parker Glenn , Daben Liu

Diffusion-based generative models have significantly advanced text-to-image generation but encounter challenges when processing lengthy and intricate text prompts describing complex scenes with multiple objects. While excelling in…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 Hanan Gani , Shariq Farooq Bhat , Muzammal Naseer , Salman Khan , Peter Wonka

There is growing interest in integrating high-fidelity visual synthesis capabilities into large language models (LLMs) without compromising their strong reasoning capabilities. Existing methods that directly train LLMs or bridge LLMs and…

Computer Vision and Pattern Recognition · Computer Science 2025-08-11 Han Lin , Jaemin Cho , Amir Zadeh , Chuan Li , Mohit Bansal

Diffusion language models (DLMs) are an attractive alternative to autoregressive models because they promise sublinear-time, parallel generation, yet practical gains remain elusive as high-quality samples still demand hundreds of refinement…

Machine Learning · Computer Science 2026-05-04 Hasan Amin , Yuan Gao , Yaser Souri , Subhojit Som , Ming Yin , Rajiv Khanna , Xia Song

Large language models (LLMs) are increasingly being used in materials science. However, little attention has been given to benchmarking and standardized evaluation for LLM-based materials property prediction, which hinders progress. We…

Materials Science · Physics 2024-12-03 Andre Niyongabo Rubungo , Kangming Li , Jason Hattrick-Simpers , Adji Bousso Dieng