Diffusion Model Sampling

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5 papers in the last four weeks, with none the four weeks before. 0.0% of all new papers.

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MAST: Motif-Augmented Diffusion with Search Tree for Spectroscopic Molecular Structure Elucidation
Oct 8, 2026Chenghao Jia, Mengdi Liu, Hong Chang +2Molecular Generation Diffusion Sampling
State Key Laboratory of AI Safety, Institute of Computing Technology, Chinese Academy of Sciences, China · University of Chinese Academy of Sciences, China
Equal Path Cost, Unequal Output Effects: Understanding Perturbation Propagation in Diffusion Models
Oct 8, 2026Wei Guo, Yaowen Zhang, Xingtong Ge +1Diffusion Models Diffusion Model Sampling
iComAI Lab, The Hong Kong University of Science and Technology · Department of Physics, The Hong Kong University of Science and Technology
Steering Diffusion Models to Rare Events with Sequential Monte Carlo
Oct 6, 2026Aavash Subedi, Tim Reichelt, Christopher Williams +3Diffusion Model Sampling Importance Sampling
Department of Statistics University of Oxford · Department of Physics University of Oxford · Department of Statistics University of British Columbia
When Does a Diffusion Model Decide What to Draw ?
Oct 5, 2026Snigdha Chandan KhilarDiffusion Model Sampling Diffusion Models
Independent Researcher
Error-Corrected Inference-Time Scaling for Imperfect Diffusion Models
Oct 1, 2026Zuokai Wen, Louis Grenioux, Weinan E +1Markov Chain Monte Carlo Diffusion Model Sampling
School of Artificial Intelligence, Shanghai Jiao Tong University · Center for Computational Mathematics, Flatiron Institute · School of Mathematical Sciences, Peking University
PhysDEM: Physics-Defined Energy-Matching Diffusion for Spatiotemporal Field Generation under Scarce Measurements
Oct 1, 2026Zhenyu Liang, Yining Huang, Yubo Zhao +1Physics-Informed Diffusion Models Physics-Informed Generative Modeling
HKUST · UT Austin
Mean Velocity Matching: Rethinking Generative Dynamics in Diffusion Models
Sep 21, 2026Yunhong Zhang, Changjie Cao, Zhihua Zhang +4Diffusion Model Sampling Diffusion Models
Chengdu University of Technology, Chengdu, China · Peking University, Beijing, China · University of Electronic Science and Technology of China, Chengdu, China
Efficient Text-to-Image Generation: An Adaptive Step Schedule Controller for Diffusion Models
Sep 15, 2026Kuluhan Binici, Cihan Acar, Shivam Aggarwal +2Diffusion Model Sampling Diffusion Timestep Scheduling
1SAP · 2National University of Singapore · Institute for Infocomm Research (I2R), A*STAR, Singapore
A Splitting Method for SDE Terminal-Law Estimation
Sep 14, 2026Rushil Gupta, Sandeep JunejaStochastic Differential Equations Diffusion Model Sampling
Safexpress Centre for Data, Learning and Decision Sciences Ashoka University
A Frozen Pixel-Space Diffusion Model Can Guide Itself with Its Own Samples
Jul 31, 2026Zixuan Fu, Chong Wang, Lanqing Guo +3Diffusion Model Guidance Diffusion Model Sampling
Nanyang Technological University
Rethinking the Generation Order of Block Diffusion Language Models
Jul 27, 2026Kai Syun Hou, James KwokDiffusion Model Sampling Blockwise Diffusion Language Models
Department of Computer Science and Engineering The Hong Kong University of Science and Technology
Manifold-Constrained Noise Optimization for Diverse Diffusion Sampling
Jul 27, 2026Qitan Shi, Cheng Jin, Ziyuan Liu +1Diffusion Model Sampling Image Generation
Tsinghua University
Learning Sampling Parameters for Diffusion Models
Jul 26, 2026Arisrei Lim, Yossi GandelsmanDiffusion Model Guidance Diffusion Model Sampling
Reve
From Score Learning to Discretized Sampling: An End-to-End Generalization Analysis of Diffusion Models
Jul 25, 2026Jinshu Huang, Yiming Jiang, Chunlin WuDiffusion Model Sampling Score-Based Generative Modeling
School of Mathematical Sciences, Nankai University, Tianjin, China
Inference-Time Scaling of Diffusion Models via Progressive Seed Pruning
Jul 23, 2026Rogerio Guimaraes, Pietro PeronaDiffusion Model Sampling Diffusion Sampling
California Institute of Technology, Pasadena CA 91125, USA
ATLAS: A Foundation Neural Sampler for Amorphous Materials
Jul 21, 2026Mouyang Cheng, Denis Blessing, Botao Yu +4Diffusion Model Sampling Materials Science
Microsoft Research New England, Cambridge, MA 02142, USA · Center for Computational Science and Engineering, MIT, Cambridge, MA 02139, USA · Department of Materials Science and Engineering, MIT, Cambridge, MA 02139, USA +4
Spatial Transport of Integration Error in Generative ODEs
Jul 17, 2026Songheng YinDiffusion Model Sampling Few-Step Diffusion Sampling
Columbia University
Discrete Diffusion Models: A Unified Framework from Tokenization to Generation
Jul 15, 2026Ye Yuan, Weien Li, Rui Song +19Masked Diffusion Models Diffusion Model Sampling
McGill University · University of Cambridge · Mila - Quebec AI Institute +6
Constrained Tabular Diffusion for Finance
Jun 27, 2026Michael Cardei, Jose M Munoz, Oscar Barrera +2Quantitative Finance Diffusion Model Sampling
University of Virginia · Massachusetts Institute of Technology · Harvard University +1
Cyclic Denoising Reveals Ultrastable Memories in Diffusion Models
Jun 22, 2026Rishabh Sharma, Stefano MartinianiDiffusion Model Sampling Memorization in Generative Models
Simons Center for Computational Physical Chemistry, New York University · Center for Soft Matter Research, Department of Physics, New York University · Center for Neural Science, New York University +1
Diffusion Models Adapt to Low-Dimensional Structure Under Flexible Coefficient Choices
Jun 22, 2026Changxiao Cai, Yuchen Jiao, Gen LiDiffusion Model Sampling Diffusion Sampling
Department of Industrial and Operations Engineering, University of Michigan, Ann Arbor, USA · Department of Statistics and Data Science, Chinese University of Hong Kong, Hong Kong
Variance-Tilted Diffusion Models for Diverse Sampling
Jun 20, 2026Iskander Azangulov, Leo Zhang, Kianoosh AshouritaklimiDoob H-Transform Diffusion Model Sampling
Department of Statistics, University of Oxford, Oxford, UK.
Recursive Scaling in Masked Diffusion Models
Jun 16, 2026Alba Carballo-Castro, Julianna Piskorz, Paulius Rauba +2Masked Diffusion Models Diffusion Model Sampling
LTS4, EPFL, Lausanne, Switzerland · University of Cambridge, Cambridge, UK.
Enhanced Low-Density Region Exploration in Classifier-Guided Diffusion Models Through Modified Reverse Diffusion Sampling
Jun 11, 2026Jagriti Singh, Shekhar Verma, Muneendra OjhaDiffusion Model Guidance Diffusion Model Sampling
Department of IT IIIT Allahabad
Initialization is Half the Battle: Generating Diverse Images from a Guidance Potential Posterior
Jun 1, 2026Xiang Li, Dianbo Liu, Kenji KawaguchiDiffusion Model Sampling Image Generation
1National University of Singapore.
Learning Implicit Bias in Generative Spaces for Accelerating Protein Dynamics Emulation
Jun 1, 2026Kaihui Cheng, Zhiqiang Cai, Wenkai Xiang +4Diffusion Model Sampling Adaptive Sampling
Fudan University · Shanghai Academy of AI for Science · Shanghai Innovation Institute
Adaptive Order Policies for Masked Diffusion
May 29, 2026Jama Hussein Mohamud, Mohsin Hasan, Mirco Ravanelli +1Masked Diffusion Models Diffusion Model Sampling
Université de Montréal · Mila · Concordia University +1
Riemannian Diffusion Models on General Manifolds via Physics-Informed Neural Networks
May 29, 2026Gyeonghoon Ko, Juho LeePhysics-Informed Diffusion Models Physics-Informed Generative Modeling
1Korea Advanced Institute of Science and Technology, Korea.
Sampling Data with Chains of Forward-Backward Diffusion Steps
May 26, 2026Hyunmo Kang, Noam Itzhak Levi, Corinna Elena Wegner +2Dynamical Systems Markov Chain Monte Carlo
Johns Hopkins University · EPFL · EPFL & University of Göttingen +1
Diffusion Image Generation with Explicit Modeling of Data Manifold Geometry
May 25, 2026Duoduo Xue, Zhiyu Zhu, Junhui HouDiffusion Transformer Diffusion Model Sampling
Department of Computer Science, City University of Hong Kong, China · City University of Hong Kong (Dongguan), China

Oct 8, 2026, physics.chem-phJ/K move · Enter open · S save

MAST: Motif-Augmented Diffusion with Search Tree for Spectroscopic Molecular Structure Elucidation

Chenghao Jia, Mengdi Liu, Hong Chang, Shiguang Shan+1

State Key Laboratory of AI Safety, Institute of Computing Technology, Chinese Academy of Sciences, China · University of Chinese Academy of Sciences, China

Molecular Generation Diffusion Sampling Diffusion Model Sampling 3D Molecular Generation

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Elucidating molecular structures from spectra is a foundational problem in chemical and materials characterization, yet remains challenging due to spectral ambiguity and the vast molecular space. Although recent diffusion-based generators show strong promise for spectra-conditioned elucidation, existing methods struggle to learn robust spectra-structure relationships from limited paired data when relying solely on global spectral representation. Moreover, the repeated full sampling inference strategy incurs substantial computation overhead. To address these limitations, we propose \textbf{MAST}, a \textbf{M}otif-\textbf{A}ugmented diffusion framework with \textbf{S}earch \textbf{T}ree, for joint 2D-3D spectroscopic molecular structure elucidation. MAST introduces explicit, interpretable \emph{motif priors} as intermediate evidences throughout denoising, reducing conditional ambiguity and facilitating spectra-conditioned optimization. We further cast diffusion sampling as \emph{reward-guided tree search} to prioritize high-reward denoising trajectories, yielding a compact set of spectra-consistent candidates under limited budgets. On the QM9S multi-spectra benchmark, MAST achieves \textbf{94.89%} exact recovery and improves 3D fidelity, while preserving high chemical validity and stability. Code is available at https://github.com/Jia040223/MAST.

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