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Reparameterized diffusion models (RDMs) have recently matched autoregressive methods in protein generation, motivating their use for challenging tasks such as designing membrane proteins, which possess interleaved soluble and transmembrane…

Biomolecules · Quantitative Biology 2025-09-30 Shrey Goel , Peregrine M. Schray , Yinuo Zhang , Sophia Vincoff , Huong T. Kratochvil , Pranam Chatterjee

Motion planning in dynamic urban environments requires balancing immediate safety with long-term goals. While diffusion models effectively capture multi-modal decision-making, existing approaches treat trajectories as monolithic entities,…

Robotics · Computer Science 2026-03-27 Xiang Li , Bikun Wang , John Zhang , Jianjun Wang

Diffusion models (DMs) have become the dominant paradigm of generative modeling in a variety of domains by learning stochastic processes from noise to data. Recently, diffusion denoising bridge models (DDBMs), a new formulation of…

Machine Learning · Computer Science 2024-11-01 Guande He , Kaiwen Zheng , Jianfei Chen , Fan Bao , Jun Zhu

Diffusion models have demonstrated remarkable efficacy in various generative tasks with the predictive prowess of denoising model. Currently, diffusion models employ a uniform denoising model across all timesteps. However, the inherent…

Machine Learning · Computer Science 2024-12-30 Wenhao Li , Xiu Su , Yu Han , Shan You , Tao Huang , Chang Xu

Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that treat docking as a regression problem have decreased runtime…

Biomolecules · Quantitative Biology 2023-02-14 Gabriele Corso , Hannes Stärk , Bowen Jing , Regina Barzilay , Tommi Jaakkola

Diffusion models (DMs) have recently demonstrated remarkable success in modeling large-scale data distributions. However, many downstream tasks require guiding the generated content based on specific differentiable metrics, typically…

Machine Learning · Computer Science 2025-05-13 Hongkun Dou , Zeyu Li , Xingyu Jiang , Hongjue Li , Lijun Yang , Wen Yao , Yue Deng

Diffusion models form an important class of generative models today, accounting for much of the state of the art in cutting edge AI research. While numerous extensions beyond image and video generation exist, few of such approaches address…

Machine Learning · Computer Science 2025-04-30 Hao Luan , See-Kiong Ng , Chun Kai Ling

Predict-then-Optimize (PTO) pipelines are widely employed in computing and networked systems, where Machine Learning (ML) models are used to predict critical contextual information for downstream decision-making tasks such as cloud LLM…

Machine Learning · Computer Science 2026-02-04 Jiaqi Wen , Lei Fan , Jianyi Yang

Deep generative models have emerged as promising tools for detecting arbitrary anomalies in data, dispensing with the necessity for manual labelling. Recently, autoregressive transformers have achieved state-of-the-art performance for…

Latent Diffusion Models (LDMs) have emerged as powerful generative models, known for delivering remarkable results under constrained computational resources. However, deploying LDMs on resource-limited devices remains a complex issue,…

Machine Learning · Computer Science 2024-04-19 Thibault Castells , Hyoung-Kyu Song , Bo-Kyeong Kim , Shinkook Choi

Diffusion models have emerged as a powerful class of generative models for molecular design, capable of capturing complex structural distributions and achieving high fidelity in 3D molecule generation. However, their widespread use remains…

Machine Learning · Computer Science 2026-01-15 Adrita Das , Peiran Jiang , Dantong Zhu , Barnabas Poczos , Jose Lugo-Martinez

Diffusion (Large) Language Models (dLLMs) now match the downstream performance of their autoregressive counterparts on many tasks, while holding the promise of being more efficient during inference. One critical design aspect of dLLMs is…

We derive a minimalist but powerful deterministic denoising-diffusion model. While denoising diffusion has shown great success in many domains, its underlying theory remains largely inaccessible to non-expert users. Indeed, an understanding…

Graphics · Computer Science 2023-05-08 Eric Heitz , Laurent Belcour , Thomas Chambon

Diffusion language models are a promising alternative to autoregressive models due to their potential for faster generation. Among discrete diffusion approaches, Masked diffusion currently dominates, largely driven by strong perplexity on…

Machine Learning · Computer Science 2026-02-17 Subham Sekhar Sahoo , Jean-Marie Lemercier , Zhihan Yang , Justin Deschenaux , Jingyu Liu , John Thickstun , Ante Jukic

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of…

Machine Learning · Computer Science 2024-06-04 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Probabilistic sampling-based algorithms, such as the probabilistic roadmap (PRM) and the rapidly-exploring random tree (RRT) algorithms, represent one of the most successful approaches to robotic motion planning, due to their strong…

Robotics · Computer Science 2016-05-04 Lucas Janson , Brian Ichter , Marco Pavone

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

Masked generative models (MGMs) can generate tokens in parallel and in any order, unlike autoregressive models (ARMs), which decode one token at a time, left-to-right. However, MGMs process the full-length sequence at every sampling step,…

Machine Learning · Computer Science 2026-02-18 Justin Deschenaux , Lan Tran , Caglar Gulcehre

Diffusion Probabilistic Models (DPMs) are powerful generative models that have achieved unparalleled success in a number of generative tasks. In this work, we aim to build inductive biases into the training and sampling of diffusion models…

Machine Learning · Computer Science 2025-03-14 Thomas Jiralerspong , Berton Earnshaw , Jason Hartford , Yoshua Bengio , Luca Scimeca

Recent advancements in multi-modal large language models have propelled the development of joint probabilistic models capable of both image understanding and generation. However, we have identified that recent methods suffer from loss of…

Computer Vision and Pattern Recognition · Computer Science 2025-06-05 Jian Yang , Dacheng Yin , Yizhou Zhou , Fengyun Rao , Wei Zhai , Yang Cao , Zheng-Jun Zha