TR2-D2: Tree Search Guided Trajectory-Aware Fine-Tuning for Discrete Diffusion
Fuente:
arXiv
Guardado en:
| Autores principales: | Tang, Sophia, Zhu, Yuchen, Tao, Molei, Chatterjee, Pranam |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design
por: Chen, Tong, et al.
Publicado: (2025)
por: Chen, Tong, et al.
Publicado: (2025)
PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion
por: Tang, Sophia, et al.
Publicado: (2024)
por: Tang, Sophia, et al.
Publicado: (2024)
Entangled Schrödinger Bridge Matching
por: Tang, Sophia, et al.
Publicado: (2025)
por: Tang, Sophia, et al.
Publicado: (2025)
Minimal-Action Discrete Schrödinger Bridge Matching for Peptide Sequence Design
por: Goel, Shrey, et al.
Publicado: (2026)
por: Goel, Shrey, et al.
Publicado: (2026)
TD3B: Transition-Directed Discrete Diffusion for Allosteric Binder Generation
por: Cao, Hanqun, et al.
Publicado: (2026)
por: Cao, Hanqun, et al.
Publicado: (2026)
Gumbel-Softmax Flow Matching with Straight-Through Guidance for Controllable Biological Sequence Generation
por: Tang, Sophia, et al.
Publicado: (2025)
por: Tang, Sophia, et al.
Publicado: (2025)
AReUReDi: Annealed Rectified Updates for Refining Discrete Flows with Multi-Objective Guidance
por: Chen, Tong, et al.
Publicado: (2025)
por: Chen, Tong, et al.
Publicado: (2025)
mRNAutilus: Multi-Objective-Guided Discrete Generation of mRNA with Optimized Therapeutic Properties
por: Patel, Sawan, et al.
Publicado: (2026)
por: Patel, Sawan, et al.
Publicado: (2026)
Token-Level Guided Discrete Diffusion for Membrane Protein Design
por: Goel, Shrey, et al.
Publicado: (2024)
por: Goel, Shrey, et al.
Publicado: (2024)
Reimagining Target-Aware Molecular Generation through Retrieval-Enhanced Aligned Diffusion
por: Xu, Dong, et al.
Publicado: (2025)
por: Xu, Dong, et al.
Publicado: (2025)
Improving Targeted Molecule Generation through Language Model Fine-Tuning Via Reinforcement Learning
por: Ahmed, Salma J., et al.
Publicado: (2024)
por: Ahmed, Salma J., et al.
Publicado: (2024)
Atomic Trajectory Modeling with State Space Models for Biomolecular Dynamics
por: Shi, Liang, et al.
Publicado: (2026)
por: Shi, Liang, et al.
Publicado: (2026)
Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
por: Klarner, Leo, et al.
Publicado: (2024)
por: Klarner, Leo, et al.
Publicado: (2024)
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
por: Zhou, Gengmo, et al.
Publicado: (2024)
por: Zhou, Gengmo, et al.
Publicado: (2024)
Exploring Discrete Flow Matching for 3D De Novo Molecule Generation
por: Dunn, Ian, et al.
Publicado: (2024)
por: Dunn, Ian, et al.
Publicado: (2024)
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion
por: Gao, Bowen, et al.
Publicado: (2024)
por: Gao, Bowen, et al.
Publicado: (2024)
Protein Conformation Generation via Force-Guided SE(3) Diffusion Models
por: Wang, Yan, et al.
Publicado: (2024)
por: Wang, Yan, et al.
Publicado: (2024)
Tree Search-Based Evolutionary Bandits for Protein Sequence Optimization
por: Qiu, Jiahao, et al.
Publicado: (2024)
por: Qiu, Jiahao, et al.
Publicado: (2024)
3M-Diffusion: Latent Multi-Modal Diffusion for Language-Guided Molecular Structure Generation
por: Zhu, Huaisheng, et al.
Publicado: (2024)
por: Zhu, Huaisheng, et al.
Publicado: (2024)
Generative Modeling of Molecular Dynamics Trajectories
por: Jing, Bowen, et al.
Publicado: (2024)
por: Jing, Bowen, et al.
Publicado: (2024)
Protein Discovery with Discrete Walk-Jump Sampling
por: Frey, Nathan C., et al.
Publicado: (2023)
por: Frey, Nathan C., et al.
Publicado: (2023)
IBEX: Information-Bottleneck-EXplored Coarse-to-Fine Molecular Generation under Limited Data
por: Xu, Dong, et al.
Publicado: (2025)
por: Xu, Dong, et al.
Publicado: (2025)
Training-Free Guidance for Discrete Diffusion Models for Molecular Generation
por: Kerby, Thomas J., et al.
Publicado: (2024)
por: Kerby, Thomas J., et al.
Publicado: (2024)
DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding
por: Lin, Haitao, et al.
Publicado: (2022)
por: Lin, Haitao, et al.
Publicado: (2022)
Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization
por: Bergues, Noémie, et al.
Publicado: (2025)
por: Bergues, Noémie, et al.
Publicado: (2025)
Distributional Priors Guided Diffusion for Generating 3D Molecules in Low Data Regimes
por: Hong, Haokai, et al.
Publicado: (2024)
por: Hong, Haokai, et al.
Publicado: (2024)
BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation
por: Yalabadi, Ali Khodabandeh, et al.
Publicado: (2025)
por: Yalabadi, Ali Khodabandeh, et al.
Publicado: (2025)
A Review on Fragment-based De Novo 2D Molecule Generation
por: Voloboev, Sergei
Publicado: (2024)
por: Voloboev, Sergei
Publicado: (2024)
Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets
por: Sob, Ulrich A. Mbou, et al.
Publicado: (2024)
por: Sob, Ulrich A. Mbou, et al.
Publicado: (2024)
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
por: Peng, Xingang, et al.
Publicado: (2022)
por: Peng, Xingang, et al.
Publicado: (2022)
Guided Generation for Developable Antibodies
por: Zhao, Siqi, et al.
Publicado: (2025)
por: Zhao, Siqi, et al.
Publicado: (2025)
MODA: A Unified 3D Diffusion Framework for Multi-Task Target-Aware Molecular Generation
por: Xu, Dong, et al.
Publicado: (2025)
por: Xu, Dong, et al.
Publicado: (2025)
SEISMO: Increasing Sample Efficiency in Molecular Optimization with a Trajectory-Aware LLM Agent
por: Krüger, Fabian P., et al.
Publicado: (2026)
por: Krüger, Fabian P., et al.
Publicado: (2026)
Structure-Aware Contrastive Learning with Fine-Grained Binding Representations for Drug Discovery
por: Lan, Jing, et al.
Publicado: (2025)
por: Lan, Jing, et al.
Publicado: (2025)
Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models
por: Zheng, Xinzhe, et al.
Publicado: (2025)
por: Zheng, Xinzhe, et al.
Publicado: (2025)
Molecular Diffusion Models with Virtual Receptors
por: Halfon, Matan, et al.
Publicado: (2024)
por: Halfon, Matan, et al.
Publicado: (2024)
Improving Antibody Design with Force-Guided Sampling in Diffusion Models
por: Kulytė, Paulina, et al.
Publicado: (2024)
por: Kulytė, Paulina, et al.
Publicado: (2024)
Flexible MOF Generation with Torsion-Aware Flow Matching
por: Kim, Nayoung, et al.
Publicado: (2025)
por: Kim, Nayoung, et al.
Publicado: (2025)
Cell Morphology-Guided Small Molecule Generation with GFlowNets
por: Lu, Stephen Zhewen, et al.
Publicado: (2024)
por: Lu, Stephen Zhewen, et al.
Publicado: (2024)
GeoDirDock: Guiding Docking Along Geodesic Paths
por: Miñán, Raúl, et al.
Publicado: (2024)
por: Miñán, Raúl, et al.
Publicado: (2024)
Ejemplares similares
-
Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design
por: Chen, Tong, et al.
Publicado: (2025) -
PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion
por: Tang, Sophia, et al.
Publicado: (2024) -
Entangled Schrödinger Bridge Matching
por: Tang, Sophia, et al.
Publicado: (2025) -
Minimal-Action Discrete Schrödinger Bridge Matching for Peptide Sequence Design
por: Goel, Shrey, et al.
Publicado: (2026) -
TD3B: Transition-Directed Discrete Diffusion for Allosteric Binder Generation
por: Cao, Hanqun, et al.
Publicado: (2026)