Generating Physically Consistent Molecules with Energy-Based Models
Fuente:
arXiv
Saved in:
| Main Authors: | Griesbacher, Christoph, Bogensperger, Lea, Habring, Andreas, Pock, Thomas |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
An Inertial Langevin Algorithm
by: Falk, Alexander, et al.
Published: (2025)
by: Falk, Alexander, et al.
Published: (2025)
Time-Inhomogeneous Preconditioned Langevin Dynamics
by: Falk, Alexander, et al.
Published: (2026)
by: Falk, Alexander, et al.
Published: (2026)
An Adaptively Inexact Method for Bilevel Learning Using Primal-Dual Style Differentiation
by: Bogensperger, Lea, et al.
Published: (2024)
by: Bogensperger, Lea, et al.
Published: (2024)
Energy Matching: Unifying Flow Matching and Energy-Based Models for Generative Modeling
by: Balcerak, Michal, et al.
Published: (2025)
by: Balcerak, Michal, et al.
Published: (2025)
The Gaussian Latent Machine: Efficient Prior and Posterior Sampling for Inverse Problems
by: Kuric, Muhamed, et al.
Published: (2025)
by: Kuric, Muhamed, et al.
Published: (2025)
Energy-based models for inverse imaging problems
by: Habring, Andreas, et al.
Published: (2025)
by: Habring, Andreas, et al.
Published: (2025)
Diffusion at Absolute Zero: Langevin Sampling Using Successive Moreau Envelopes [conference paper]
by: Habring, Andreas, et al.
Published: (2025)
by: Habring, Andreas, et al.
Published: (2025)
Subgradient Langevin Methods for Sampling from Non-smooth Potentials
by: Habring, Andreas, et al.
Published: (2023)
by: Habring, Andreas, et al.
Published: (2023)
A Variational Perspective on Generative Protein Fitness Optimization
by: Bogensperger, Lea, et al.
Published: (2025)
by: Bogensperger, Lea, et al.
Published: (2025)
Posterior-Variance-Based Error Quantification for Inverse Problems in Imaging
by: Narnhofer, Dominik, et al.
Published: (2022)
by: Narnhofer, Dominik, et al.
Published: (2022)
Repurposing Protein Language Models for Latent Flow-Based Fitness Optimization
by: Arroyo, Amaru Caceres, et al.
Published: (2026)
by: Arroyo, Amaru Caceres, et al.
Published: (2026)
Selective, Interpretable, and Motion Consistent Privacy Attribute Obfuscation for Action Recognition
by: Ilic, Filip, et al.
Published: (2024)
by: Ilic, Filip, et al.
Published: (2024)
Diffusion at Absolute Zero: Langevin Sampling using Successive Moreau Envelopes [journal paper]
by: Habring, Andreas, et al.
Published: (2025)
by: Habring, Andreas, et al.
Published: (2025)
FlowSDF: Flow Matching for Medical Image Segmentation Using Distance Transforms
by: Bogensperger, Lea, et al.
Published: (2024)
by: Bogensperger, Lea, et al.
Published: (2024)
Product of Gaussian Mixture Diffusion Model for non-linear MRI Inversion
by: Nagler, Laurenz, et al.
Published: (2025)
by: Nagler, Laurenz, et al.
Published: (2025)
Molecule Generation for Target Protein Binding with Hierarchical Consistency Diffusion Model
by: Li, Guanlue, et al.
Published: (2025)
by: Li, Guanlue, et al.
Published: (2025)
Non-Log-Concave and Nonsmooth Sampling via Langevin Monte Carlo Algorithms
by: Lau, Tim Tsz-Kit, et al.
Published: (2023)
by: Lau, Tim Tsz-Kit, et al.
Published: (2023)
Assessing the Geographic Generalization and Physical Consistency of Generative Models for Climate Downscaling
by: Saccardi, Carlo, et al.
Published: (2025)
by: Saccardi, Carlo, et al.
Published: (2025)
TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models
by: Yoo, Kiwoong, et al.
Published: (2024)
by: Yoo, Kiwoong, et al.
Published: (2024)
On the Time Derivative of the KL Divergence for a Generalized Langevin Annealing Scheme
by: Habring, Andreas
Published: (2025)
by: Habring, Andreas
Published: (2025)
Beyond State Consistency: Behavior Consistency in Text-Based World Models
by: Huang, Youling, et al.
Published: (2026)
by: Huang, Youling, et al.
Published: (2026)
Toward Better Geometric Representations for Molecule Generative Models
by: Yan, Shaoheng, et al.
Published: (2026)
by: Yan, Shaoheng, et al.
Published: (2026)
Understanding, Accelerating, and Improving MeanFlow Training
by: Kim, Jin-Young, et al.
Published: (2025)
by: Kim, Jin-Young, et al.
Published: (2025)
Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models
by: Liu, Songtao, et al.
Published: (2024)
by: Liu, Songtao, et al.
Published: (2024)
SHA-256 Infused Embedding-Driven Generative Modeling of High-Energy Molecules in Low-Data Regimes
by: Verma, Siddharth, et al.
Published: (2025)
by: Verma, Siddharth, et al.
Published: (2025)
Bridging the Gap between Learning and Inference for Diffusion-Based Molecule Generation
by: Liu, Peidong, et al.
Published: (2024)
by: Liu, Peidong, et al.
Published: (2024)
Enhancing Consistency-Based Image Generation via Adversarialy-Trained Classification and Energy-Based Discrimination
by: Golan, Shelly, et al.
Published: (2024)
by: Golan, Shelly, et al.
Published: (2024)
Attention Based Molecule Generation via Hierarchical Variational Autoencoder
by: Sivanesan, Divahar
Published: (2024)
by: Sivanesan, Divahar
Published: (2024)
Three-in-One World Model: Energy-Based Consistency, Prediction, and Counterfactual Inference for Marketing Intervention
by: Niimi, Junichiro
Published: (2026)
by: Niimi, Junichiro
Published: (2026)
CoCoGen: Physically-Consistent and Conditioned Score-based Generative Models for Forward and Inverse Problems
by: Jacobsen, Christian, et al.
Published: (2023)
by: Jacobsen, Christian, et al.
Published: (2023)
On the Anisotropy of Score-Based Generative Models
by: Floros, Andreas, et al.
Published: (2025)
by: Floros, Andreas, et al.
Published: (2025)
LMDM:Latent Molecular Diffusion Model For 3D Molecule Generation
by: Chen, Xiang
Published: (2024)
by: Chen, Xiang
Published: (2024)
Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration
by: Lin, Haitao, et al.
Published: (2023)
by: Lin, Haitao, et al.
Published: (2023)
Equivariant Neural Diffusion for Molecule Generation
by: Cornet, François, et al.
Published: (2025)
by: Cornet, François, et al.
Published: (2025)
Molecule Generation with Fragment Retrieval Augmentation
by: Lee, Seul, et al.
Published: (2024)
by: Lee, Seul, et al.
Published: (2024)
Consistency Training with Physical Constraints
by: Chang, Che-Chia, et al.
Published: (2025)
by: Chang, Che-Chia, et al.
Published: (2025)
PhysFormer: A Physics-Embedded Generative Model for Physically Self-Consistent Spectral Synthesis
by: Wang, Siqi, et al.
Published: (2026)
by: Wang, Siqi, et al.
Published: (2026)
Optical Physics-Based Generative Models
by: Ahmadnejad, Amirreza, et al.
Published: (2025)
by: Ahmadnejad, Amirreza, et al.
Published: (2025)
Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models
by: Plainer, Michael, et al.
Published: (2025)
by: Plainer, Michael, et al.
Published: (2025)
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
by: Gu, Siyi, et al.
Published: (2024)
by: Gu, Siyi, et al.
Published: (2024)
Similar Items
-
An Inertial Langevin Algorithm
by: Falk, Alexander, et al.
Published: (2025) -
Time-Inhomogeneous Preconditioned Langevin Dynamics
by: Falk, Alexander, et al.
Published: (2026) -
An Adaptively Inexact Method for Bilevel Learning Using Primal-Dual Style Differentiation
by: Bogensperger, Lea, et al.
Published: (2024) -
Energy Matching: Unifying Flow Matching and Energy-Based Models for Generative Modeling
by: Balcerak, Michal, et al.
Published: (2025) -
The Gaussian Latent Machine: Efficient Prior and Posterior Sampling for Inverse Problems
by: Kuric, Muhamed, et al.
Published: (2025)