Aligning Transformers with Continuous Feedback via Energy Rank Alignment
Fuente:
arXiv
Saved in:
| Main Authors: | Chennakesavalu, Shriram, Hu, Frank, Ibarraran, Sebastian, Rotskoff, Grant M. |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment
by: Zeng, Kaipeng, et al.
Published: (2024)
by: Zeng, Kaipeng, et al.
Published: (2024)
MolSculpt: Sculpting 3D Molecular Geometries from Chemical Syntax
by: Chen, Zhanpeng, et al.
Published: (2025)
by: Chen, Zhanpeng, et al.
Published: (2025)
GeLLMO: Generalizing Large Language Models for Multi-property Molecule Optimization
by: Dey, Vishal, et al.
Published: (2025)
by: Dey, Vishal, et al.
Published: (2025)
TrustMol: Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics
by: Wijaya, Kevin Tirta, et al.
Published: (2024)
by: Wijaya, Kevin Tirta, et al.
Published: (2024)
LICO: Large Language Models for In-Context Molecular Optimization
by: Nguyen, Tung, et al.
Published: (2024)
by: Nguyen, Tung, et al.
Published: (2024)
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis
by: Yao, Lin, et al.
Published: (2023)
by: Yao, Lin, et al.
Published: (2023)
Enhancing Peak Assignment in 13C NMR Spectroscopy: A Novel Approach Using Multimodal Alignment
by: Xu, Hao, et al.
Published: (2023)
by: Xu, Hao, et al.
Published: (2023)
CACTUS: Chemistry Agent Connecting Tool-Usage to Science
by: McNaughton, Andrew D., et al.
Published: (2024)
by: McNaughton, Andrew D., et al.
Published: (2024)
Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials
by: Fu, Cong, et al.
Published: (2025)
by: Fu, Cong, et al.
Published: (2025)
Scaling Transferable Coarse-graining with Mean Force Matching
by: Park, Abigail, et al.
Published: (2026)
by: Park, Abigail, et al.
Published: (2026)
Learning Chemotherapy Drug Action via Universal Physics-Informed Neural Networks
by: Podina, Lena, et al.
Published: (2024)
by: Podina, Lena, et al.
Published: (2024)
Generative Pseudo-Force Fields for Molecular Generation
by: Hessmann, Stefaan Simon Pierre, et al.
Published: (2026)
by: Hessmann, Stefaan Simon Pierre, et al.
Published: (2026)
Tokenizing Electron Cloud in Protein-Ligand Interaction Learning
by: Lin, Haitao, et al.
Published: (2025)
by: Lin, Haitao, et al.
Published: (2025)
The Geometry of Activity Cliffs: Representation Dependence and Multi-Scale Characterization of Activity Landscapes
by: Dabrowski-Tumanski, Pawel, et al.
Published: (2026)
by: Dabrowski-Tumanski, Pawel, et al.
Published: (2026)
Fractional Denoising for 3D Molecular Pre-training
by: Feng, Shikun, et al.
Published: (2023)
by: Feng, Shikun, et al.
Published: (2023)
Multi-channel learning for integrating structural hierarchies into context-dependent molecular representation
by: Wan, Yue, et al.
Published: (2023)
by: Wan, Yue, et al.
Published: (2023)
Graph Fourier Neural ODEs: Modeling Spatial-temporal Multi-scales in Molecular Dynamics
by: Sun, Fang, et al.
Published: (2024)
by: Sun, Fang, et al.
Published: (2024)
Olfactory Label Prediction on Aroma-Chemical Pairs
by: Sisson, Laura, et al.
Published: (2023)
by: Sisson, Laura, et al.
Published: (2023)
Large-Scale Knowledge Integration for Enhanced Molecular Property Prediction
by: Ghunaim, Yasir, et al.
Published: (2024)
by: Ghunaim, Yasir, et al.
Published: (2024)
KANEL: Kolmogorov-Arnold Network Ensemble Learning Enables Early Hit Enrichment in High-Throughput Virtual Screening
by: Koptev, Pavel, et al.
Published: (2026)
by: Koptev, Pavel, et al.
Published: (2026)
Fast and Interpretable Protein Substructure Alignment via Optimal Transport
by: Wang, Zhiyu, et al.
Published: (2025)
by: Wang, Zhiyu, et al.
Published: (2025)
Socrates-Mol: Self-Oriented Cognitive Reasoning through Autonomous Trial-and-Error with Empirical-Bayesian Screening for Molecules
by: Wang, Xiangru, et al.
Published: (2025)
by: Wang, Xiangru, et al.
Published: (2025)
ProtSCAPE: Mapping the landscape of protein conformations in molecular dynamics
by: Viswanath, Siddharth, et al.
Published: (2024)
by: Viswanath, Siddharth, et al.
Published: (2024)
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
by: Min, Yaosen, et al.
Published: (2022)
by: Min, Yaosen, et al.
Published: (2022)
QSAR-Guided Generative Framework for the Discovery of Synthetically Viable Odorants
by: Pearce, Tim C., et al.
Published: (2025)
by: Pearce, Tim C., et al.
Published: (2025)
Prediction of good reaction coordinates and future evolution of MD trajectories using Regularized Sparse Autoencoders: A novel deep learning approach
by: Gupta, Abhijit
Published: (2022)
by: Gupta, Abhijit
Published: (2022)
Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment
by: Ding, Yuhui, et al.
Published: (2025)
by: Ding, Yuhui, et al.
Published: (2025)
MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language
by: Shoshan, Yoel, et al.
Published: (2024)
by: Shoshan, Yoel, et al.
Published: (2024)
Multitask Extension of Geometrically Aligned Transfer Encoder
by: Ko, Sung Moon, et al.
Published: (2024)
by: Ko, Sung Moon, et al.
Published: (2024)
Feedback Efficient Online Fine-Tuning of Diffusion Models
by: Uehara, Masatoshi, et al.
Published: (2024)
by: Uehara, Masatoshi, et al.
Published: (2024)
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
by: Pengmei, Zihan, et al.
Published: (2024)
by: Pengmei, Zihan, et al.
Published: (2024)
DeepCRE: Transforming Drug R&D via AI-Driven Cross-drug Response Evaluation
by: Wu, Yushuai, et al.
Published: (2024)
by: Wu, Yushuai, et al.
Published: (2024)
Annotation-guided Protein Design with Multi-Level Domain Alignment
by: Yuan, Chaohao, et al.
Published: (2024)
by: Yuan, Chaohao, et al.
Published: (2024)
Inference-Time Alignment in Diffusion Models with Reward-Guided Generation: Tutorial and Review
by: Uehara, Masatoshi, et al.
Published: (2025)
by: Uehara, Masatoshi, et al.
Published: (2025)
Empowering LLMs for Structure-Based Drug Design via Exploration-Augmented Latent Inference
by: Hu, Xuanning, et al.
Published: (2026)
by: Hu, Xuanning, et al.
Published: (2026)
HGTDR: Advancing Drug Repurposing with Heterogeneous Graph Transformers
by: Gharizadeh, Ali, et al.
Published: (2024)
by: Gharizadeh, Ali, et al.
Published: (2024)
Prompting Decision Transformers for Zero-Shot Reach-Avoid Policies
by: Li, Kevin, et al.
Published: (2025)
by: Li, Kevin, et al.
Published: (2025)
A Large Sensor Foundation Model Pretrained on Continuous Glucose Monitor Data for Diabetes Management
by: Luo, Junjie, et al.
Published: (2024)
by: Luo, Junjie, et al.
Published: (2024)
A Comprehensive Review of Transformer-based language models for Protein Sequence Analysis and Design
by: Ghosh, Nimisha, et al.
Published: (2025)
by: Ghosh, Nimisha, et al.
Published: (2025)
FlatASCEND: Autoregressive Clinical Sequence Generation with Continuous Time Prediction and Association-Based Pharmacological Testing
by: Sainsbury, Chris, et al.
Published: (2026)
by: Sainsbury, Chris, et al.
Published: (2026)
Similar Items
-
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment
by: Zeng, Kaipeng, et al.
Published: (2024) -
MolSculpt: Sculpting 3D Molecular Geometries from Chemical Syntax
by: Chen, Zhanpeng, et al.
Published: (2025) -
GeLLMO: Generalizing Large Language Models for Multi-property Molecule Optimization
by: Dey, Vishal, et al.
Published: (2025) -
TrustMol: Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics
by: Wijaya, Kevin Tirta, et al.
Published: (2024) -
LICO: Large Language Models for In-Context Molecular Optimization
by: Nguyen, Tung, et al.
Published: (2024)