Physics-Guided Diffusion

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8 papers in the last four weeks, up 14% on the four weeks before. 0.1% of all new papers.

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Graph Data Augmentation via Contrastive Generator Inversion ( $\texttt{DCBA}$ )
Oct 5, 2026Mateusz Stolarski, Michał Czuba, Łukasz Kraiński +4Physics-Guided Diffusion
Wrocław University of Science and Technology · University of Technology Sydney · SGH Warsaw School of Economics +1
Efficient Graph Generation via Direct Prediction and Flow Matching
Oct 4, 2026Susie LuPhysics-Guided Diffusion Generative Flow Networks
MIT
Simulator-Refined Diffusion for Radio-Frequency Inverse Design
Sep 29, 2026Jinhao Liang, Jacob K. Christopher, Michael Frei +2Printed Circuit Board Generative Inverse Design
University of Virginia · Arena Physica
TAGGRAPH: Tag-Augmented Graphs for Graph Retrieval of Agent Persistent Histories
Sep 29, 2026Yu-Shu Chen, Yu-Jung Liang, Pengtao XieGraph-Structured Memories Conversational Memory
Department of Electrical and Computer Engineering University of California, San Diego La Jolla, CA 92093, USA
Physics-Guided Conditional Diffusion Model for Rare Event Synthesis and Diagnosis for the Water-Gas Shift Reaction
Sep 28, 2026Md Abrar Rafid Siddique, Bibek Aryal, Qiugang LuHydrogen System Components Physics-Guided Diffusion
Department of Chemical Engineering, Texas Tech University, Lubbock, TX 79409, USA
From Graphs to Feeders: Constraint-Guided Diffusion for Rule-Compliant Feeder Generation
Sep 24, 2026Yu Qin, Andrew Glaws, Aadil Latif +1Physics-Guided Diffusion
National Laboratory of the Rockies, Golden, Colorado, USA
EMERGE: Resolution-Agnostic Point Cloud Generation with Equivariant Graph-Based Diffusion
Sep 22, 2026Ilias Mitsouras, Nikolaos Chaidos, Giorgos Stamou +1Point Clouds 3D Generative Models
National Technical University of Athens Athens, Greece
ProtoGuide: Prototype-Driven Guidance for Class-Conditional Graph Generation
Sep 14, 2026Salvatore Romano, Marco Grassia, Pietro Liò +1Physics-Guided Diffusion Learnable Prototypes
Department of Electrical, Electronic and Computer Engineering, University of Catania, Italy · Department of Computer Science and Technology, University of Cambridge, UK · University Campus Bio-Medico of Rome, Italy
Zero-shot rib design: merging training-free generative prior with topology optimization
Sep 11, 2026Yongmin Kwon, Namwoo KangTopology Optimization Physics-Guided Diffusion
Cho Chun Shik Graduate School of Mobility, Korea Advanced Institute of Science and Technology, 193 Munji-ro, Yuseong-gu, Daejeon, 34051, Republic of Korea · AI Research Team, Narnia Labs, 193 Munji-ro, Yuseong-gu, Daejeon, 34051, Republic of Korea
Conditional Flow Matching for ML-Based Inverse Design Problems
Sep 1, 2026Juliana Felder, Milad Habibi, Soheyl Massoudi +1Conditional Flow Matching Physics-Guided Diffusion
ETH Zürich · University of Maryland, College Park
Do Satellites See Commuters? A Critical Benchmark of Vision Foundation Models
Sep 1, 2026Ashiq Shukoor Iqbal, Wilson Wongso, Flora D. SalimGeospatial Foundation Models Origin Destination Flows
The University of New South Wales · Sydney, NSW, Australia
GraM-Diff: A Unified Graph-Mamba Diffusion Framework for EEG-Based Alzheimer's Disease Data Generation and Diagnosis
Aug 30, 2026M. Tanveer, Ayush Singh Rana, Sanskriti Jain +5Small-Sample Electroencephalogram Datasets Electroencephalography
Indian Institute of Technology Indore, Indore 453552, Madhya Pradesh, India
Symmetry-Breaking De Novo Crystal Generation via Markovian Jump Diffusion
Aug 13, 2026Van Khoa Nguyen, Alexandros KalousisCrystal Structure Crystal
HES-SO Geneva · University of Geneva
Constrained Graph Diffusion for Mixed Integer Optimization
Aug 13, 2026Vincenzo Di Vito, Yusuf Guven, Babak Badnava +3Mixed-Integer Programming Constrained Optimization
University of Virginia · MIT · Los Alamos National Laboratory
ProBAG: Prototype-Guided Boundary-Aware Graph Diffusion for Weakly Supervised Histopathology Segmentation
Aug 12, 2026Duy-Dong Nguyen, Le-Van Thai, Hoai Nhan Pham +3Physics-Guided Diffusion
AI VIETNAM Lab, Vietnam · Department of Mechanical System Engineering, Jeonbuk National University, Republic of Korea · Washington University School of Medicine, Saint Louis, MO, USA +1
Graph-Guided Safe Diffuser: Topological Graph Guidance for Safe Diffusion Planning
Aug 10, 2026Nakgyu Yang, KwangBin Lee, SooJean HanDiffusion Planning Physics-Guided Diffusion
School of Electrical Engineering, Korea Advanced Institute of Science and Technology (KAIST) Daejeon, Republic of Korea
ED-DiT: Physics-Guided Diffusion Pretraining for Transferable Molecular Representations from Electron Density
Aug 4, 2026Liang Shuang, Haocheng Wang, Jiayi Song +2Physics-Guided Diffusion Self-Supervised Learning
Fudan University, Shanghai, China · Shenzhen Loop Area Institute, Shenzhen, China · The Chinese University of Hong Kong, Hong Kong SAR, China
Group Equivariant Diffusion for Anomaly Detection in Computational Cytology
Jul 28, 2026Swarnadip Chatterjee, Ssharvien Kumar Sivakumar, Anirban MukhopadhyayAnomaly Score Physics-Guided Diffusion
Uppsala University, Uppsala, Sweden · Technical University of Darmstadt, Darmstadt, Germany
Lantern: Conflict-Aware Gradient Blending for Physics-Guided Diffusion Models in Calorimeter Simulation
Jul 27, 2026Farzana Yasmin Ahmad, Vanamala Venkataswamy, Geoffrey FoxPhysics-Guided Diffusion Diffusion Models
Computer Science Department, University of Virginia USA · Visiting Scholar, University of Virginia USA · Computer Science Department, Biocomplexity Institute, University of Virginia USA
Physics-Guided Generative AI for Property-Targeted 3D Porous Media Design
Jul 27, 2026Peng WangGenerative Inverse Design Porous Media
Centre for Vision, Speech and Signal Processing (CVSSP), University of Surrey, Guildford, UK
Learning and Structurally Validating Simulation Scenario Continuations in Dynamic Graph Systems
Jul 23, 2026Michael Romei de Socio, Gian Luca Pozzato, Alessio MerloScenario Generation Continuation
CASD – School of Advanced Defense Studies, 00165 Rome, Italy · Department of Computer Science, University of Turin, 10149 Turin, Italy
MotifRole-Diff: Risk-Optimal Role-Aware Corruption for Masked Molecular Graph Diffusion
Jul 20, 2026Tasfia Nuzhat Ornee, Elias Hossain, Ivan Garibay +1Physics-Guided Diffusion Masked Diffusion Language Models
University of Central Florida
FreeLit: Paired-Free Indoor Relighting via Physics-Guided Diffusion
Jul 15, 2026Chi-En Yen, Duy-Khanh Ngo, Wen-Wei Tang +3Image Relighting Low-Light Images
National Yang Ming Chiao Tung University
HPG-Diff: Hierarchical physics-guided diffusion with differentiable connectivity constraints for topology optimization
Jul 8, 2026Jinbo Yang, Mingyue Yuan, Boyuan Zhang +2Topology Optimization Physics-Guided Diffusion
School of Mechanical Engineering, Beijing Institute of Technology, Beijing, 100081, China · Computer Science and Engineering, University of New South Wales, Sydney, 2052, Australia · College of Intelligence and Computing, Tianjin University, Tianjin, 300072, China +1
DiPhon: Diffusion on Graphons for Scalable Graph Generation
Jul 8, 2026Sergio Rozada, Yiming Qin, Manuel Madeira +2Physics-Guided Diffusion Diffusion Models
King Juan Carlos University · EPFL, Lausanne, Switzerland · University of Pennsylvania
Generative Diffusion Models of Stochastic Graph Signals
Jul 7, 2026Yiğit Berkay Uslu, Samar Hadou, Sergio Rozada +2Graph Neural Networks Physics-Guided Diffusion
Dept. of Electrical and Systems Eng., University of Pennsylvania, Philadelphia, PA 19104 USA · Department of Signal Processing and Communications, King Juan Carlos University, Madrid, Spain
PCGD: Physics-Guided Conditional Graph Diffusion for TCAD Device Simulation
Jun 28, 2026Yihan Zhang, Zhiteng Zhang, Kun Chen +1Physics-Guided Diffusion Semiconductor Manufacturing
Geometrical fairness in graph neural networks
Jun 16, 2026Arturo Pérez-Peralta, Sandra Benítez-Peña, Blas Kolic +1Algorithmic Fairness Physics-Guided Diffusion
Department of Statistics, University Carlos III of Madrid, Spain · uc3m-Santander Big Data Institute
Latent Diffusion Pretraining for Crystal Property Prediction
May 30, 2026Shrimon Mukherjee, Kishalay Das, Partha Basuchowdhuri +2Crystal Physics-Guided Diffusion
School of Mathematical & Computational Sciences, Indian Association for the Cultivation of Science, Kolkata, India · Computer Science and Engineering, Indian Institute of Technology Kharagpur, India.
Evolutionary Refinement of Generative Graph Topologies: A Hybrid WGAN-GA Approach
May 27, 2026James Sargant, Seyedeh Ava Razi Razavi, Renata Dividino +1Physics-Guided Diffusion Topology
Computer Science Brock University, Canada
Learning manifold diffusion semigroups from graph transition matrices
May 25, 2026Xiuyuan Cheng, Nan WuGraph Laplacians Physics-Guided Diffusion
Department of Mathematics, Duke University · Department of Mathematical Sciences, The University of Texas at Dallas
Whole-Body Inverse Kinematics with Graph Diffusion
May 23, 2026Helong Huang, Kai Tan, Feng Wen +2Inverse Kinematics Physics-Guided Diffusion
Large Model Algorithm Lab, Huawei
Representation Gap: Explaining the Unreasonable Effectiveness of Neural Networks from a Geometric Perspective
May 20, 2026David Perera, Victor Moura, Lais Isabelle Alves dos Santos +2Intrinsic Dimensionality Neural Network
Universidade Federal de Minas Gerais · Queen Mary University of London
Learning to Think in Physics: Breaking Shortcut Learning in Scientific Diffusion via Representation Alignment
May 20, 2026Haozhe Jia, Pengyu Yin, Wenshuo Chen +6Physics-Guided Diffusion Partial Differential Equations
The Hong Kong University of Science and Technology (Guangzhou), Guangzhou, China · Shandong University, Jinan, China · Data61/CSIRO, Australia +5
Physics Guided Conditional Diffusion Framework for Generative Inverse Design of Manufacturable Metasurface based Absorbers
May 19, 2026Vineetha Joy, Jamshed Palai, Satwik Sahu +3Metamaterials Generative Inverse Design
Centre for Electromagnetics, CSIR-National Aerospace Laboratories, Kodihalli, Bangalore 560017 · Birla Institute of Technology and Science, Pilani, Rajasthan 333031 · Indian Institute of Technology, Bombay, Maharashtra 400076
Controllable Molecular Generative Foundation Models
May 14, 2026Yihan Zhu, Yuhan Liu, Weijiang Li +2Molecular Generation Physics-Guided Diffusion
University of Notre Dame
RADAR: Redundancy-Aware Diffusion for Multi-Agent Communication Structure Generation
May 11, 2026Zhen Zhang, Wanjing Zhou, Juncheng Li +3Communication Topologies Physics-Guided Diffusion
National Key Laboratory for Novel Software Technology, Nanjing University, China · Zhejiang University · University of Oxford +1
Dependency-Aware Discrete Diffusion for Scene Graph Generation
May 9, 2026Rajalaxmi Rajagopalan, Romit Roy ChoudhurySpatio-Temporal Scene Graphs Multi-Reference Image Generation
University of Illinois, Urbana-Champaign
Unlocking High-Fidelity Molecular Generation from Mass Spectra via Dual-Stream Line Graph Diffusion
May 7, 2026Xujun Che, Xiuxia Du, Depeng XuMolecular Generation Tandem Mass Spectra
Department of Software and Information Systems,2026 University of North Carolina at Charlotte, Charlotte, NC 28223 · Center for Environmental Monitoring and Informatics Technologies for Public Health University of North Carolina at Charlotte, Charlotte, NC 28223 · Department of Bioinformatics and Genomics,May University of North Carolina at Charlotte, Charlotte, NC 28223
SymDrift: One-Shot Generative Modeling under Symmetries
May 7, 2026Samir Darouich, Vinh Tong, Lluís Pastor-Pérez +3Generative Models Physics-Guided Diffusion
Institute of Artificial Intelligence Institute of Theoretical Chemistry University of Stuttgart
GCCM: Enhancing Generative Graph Prediction via Contrastive Consistency Model
May 7, 2026Shaozhen Ma, Wei Huang, Hanchen Wang +2Physics-Guided Diffusion Generative Models
University of New South Wales · University of Technology Sydney
Factual and Edit-Sensitive Graph-to-Sequence Generation via Graph-Aware Adaptive Noising
Apr 27, 2026Aditya Hemant Shahane, Anuj Kumar Sirohi, Tanmoy Chakraborty +2Physics-Guided Diffusion Diffusion Language Models
Department of Electrical Engineering, Indian Institute of Technology Delhi, New Delhi, India · Indian Institute of Science, Bengaluru, India
Quotient-Space Diffusion Models
Apr 23, 2026Yixian Xu, Yusong Wang, Shengjie Luo +4Molecular Generation Physics-Guided Diffusion
State Key Laboratory of General Artificial Intelligence, Peking University, Beijing, China · State Key Laboratory of Human-Machine Hybrid Augmented Intelligence, Institute of Artificial Intelligence and Robotics, Xi’an Jiaotong University · Zhongguancun Academy, Beijing, China +2
Pretrained Video Models as Differentiable Physics Simulators for Urban Wind Flows
Mar 22, 2026Janne Perini, Rafael Bischof, Moab Arar +4Computational Fluid Dynamic Wind
1Computational Design Lab, ETH Zurich, Switzerland · 2Tel Aviv University, Israel · 3Architecture and Building Systems, ETH Zurich, Switzerland +2
Local Message-Passing for Discrete Graph Generation
Mar 9, 2026Jay Revolinsky, Harry Shomer, Jiliang TangPhysics-Guided Diffusion Gnn-Based Detectors
Michigan State University East Lansing, Michigan, USA · University of Texas - Arlington Arlington, Texas, USA
Transport-Coupled Bayesian Flows for Molecular Graph Generation
Oct 11, 2025Yida Xiong, Jiameng Chen, Kun Li +4Molecular Generation Physics-Guided Diffusion
School of Computer Science, Wuhan University, Wuhan, China · Wuhan University Shenzhen Research Institute, Shenzhen, China
Invariant Graph Representations for Continuous-Time Dynamic Graphs Under Distribution Shifts
May 29, 2024Lanting Fang, Yulian Yang, Yawei Zhang +3Physics-Guided Diffusion Causal Discovery Methods
1Beijing Institue of Technology · Southeast University · Wuhan University
Graph Unitary Message Passing
Mar 17, 2024Haiquan Qiu, Quanming YaoMessage Passing Neural Networks Graph Neural Networks
Department of Electrical Engineering, Tsinghua University · 2Beijing National Research Center for Information Science and Technology · 3State Key laboratory of Space Network and Communications

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Graph Data Augmentation via Contrastive Generator Inversion ( $\texttt{DCBA}$ )

Mateusz Stolarski, Michał Czuba, Łukasz Kraiński, Katarzyna Musial+3

Wrocław University of Science and Technology · University of Technology Sydney · SGH Warsaw School of Economics+1

Physics-Guided Diffusion

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Graphs provide a natural representation of many complex systems, ranging from social platforms to ecosystems. However, the development of graph-based machine learning methods is often constrained by the limited availability of large and diverse graph datasets. In this paper, we introduce

\texttt{DCBA}

, a model-based approach to graph data augmentation that infers the configuration of a synthetic graph generator from an observed network. We instantiate the proposed framework using the

\texttt{ABCD}

generator, which produces scale-free networks with community structure. Our model learns a joint representation of graphs and generator parametrisations using a multi-positive contrastive objective with soft negative weighting. The learned representation enables the prediction of an

\texttt{ABCD}

configuration whose stochastic realisations preserve the macrostructural properties encoded by the generator. Experiments show that

\texttt{DCBA}

recovers generator parameters more accurately and robustly than an algorithmic inverse-modelling baseline. Its downstream utility is further demonstrated in community detection, where inferred configurations used to fine-tune

\texttt{PRoCD}

improve AMI on average by

161\%

on synthetic and

273\%

on real-world networks.

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