Estimating Reaction Barriers with Deep Reinforcement Learning
Fuente:
arXiv
Saved in:
| Main Author: | Pal, Adittya |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Finding Pathways in Reaction Networks guided by Energy Barriers using Integer Linear Programming
by: Pal, Adittya, et al.
Published: (2025)
by: Pal, Adittya, et al.
Published: (2025)
Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming
by: Pal, Adittya, et al.
Published: (2024)
by: Pal, Adittya, et al.
Published: (2024)
Integrating GNN and Neural ODEs for Estimating Non-Reciprocal Two-Body Interactions in Mixed-Species Collective Motion
by: Uwamichi, Masahito, et al.
Published: (2024)
by: Uwamichi, Masahito, et al.
Published: (2024)
Machine Learning-based Regional Cooling Demand Prediction with Optimised Dataset Partitioning
by: Zhang, Meng, et al.
Published: (2025)
by: Zhang, Meng, et al.
Published: (2025)
An experimental evaluation of Deep Reinforcement Learning algorithms for HVAC control
by: Manjavacas, Antonio, et al.
Published: (2024)
by: Manjavacas, Antonio, et al.
Published: (2024)
FTL: Transfer Learning Nonlinear Plasma Dynamic Transitions in Low Dimensional Embeddings via Deep Neural Networks
by: Bai, Zhe, et al.
Published: (2024)
by: Bai, Zhe, et al.
Published: (2024)
Developing a Sequential Deep Learning Pipeline to Model Alaskan Permafrost Thaw Under Climate Change
by: Rahaman, Addina
Published: (2025)
by: Rahaman, Addina
Published: (2025)
Inferring Thunderstorm Occurrence from Vertical Profiles of Convection-Permitting Simulations: Physical Insights from a Physical Deep Learning Model
by: Yousefnia, Kianusch Vahid, et al.
Published: (2024)
by: Yousefnia, Kianusch Vahid, et al.
Published: (2024)
Behavior Imitation for Manipulator Control and Grasping with Deep Reinforcement Learning
by: Qiyuan, Liu
Published: (2024)
by: Qiyuan, Liu
Published: (2024)
Adaptive Uncertainty-Guided Surrogates for Efficient phase field Modeling of Dendritic Solidification
by: Garate-Perez, Eider, et al.
Published: (2026)
by: Garate-Perez, Eider, et al.
Published: (2026)
Learning thermodynamic master equations for open quantum systems
by: Sentz, Peter, et al.
Published: (2025)
by: Sentz, Peter, et al.
Published: (2025)
Uncertainty quantification of a multi-component Hall thruster model at varying facility pressures
by: Marks, Thomas A., et al.
Published: (2025)
by: Marks, Thomas A., et al.
Published: (2025)
Deep Causal Inference for Point-referenced Spatial Data with Continuous Treatments
by: Jiang, Ziyang, et al.
Published: (2024)
by: Jiang, Ziyang, et al.
Published: (2024)
Difficulty in chirality recognition for Transformer architectures learning chemical structures from string
by: Yoshikai, Yasuhiro, et al.
Published: (2023)
by: Yoshikai, Yasuhiro, et al.
Published: (2023)
Learning the Value Systems of Agents with Preference-based and Inverse Reinforcement Learning
by: Holgado-Sánchez, Andrés, et al.
Published: (2026)
by: Holgado-Sánchez, Andrés, et al.
Published: (2026)
Physics-informed Neural Network Estimation of Material Properties in Soft Tissue Nonlinear Biomechanical Models
by: Caforio, Federica, et al.
Published: (2023)
by: Caforio, Federica, et al.
Published: (2023)
Increasing NWP Thunderstorm Predictability Using Ensemble Data and Machine Learning
by: Yousefnia, Kianusch Vahid, et al.
Published: (2025)
by: Yousefnia, Kianusch Vahid, et al.
Published: (2025)
Learning the Value Systems of Societies with Preference-based Multi-objective Reinforcement Learning
by: Holgado-Sánchez, Andrés, et al.
Published: (2026)
by: Holgado-Sánchez, Andrés, et al.
Published: (2026)
El Nino Southern Oscillation and Atlantic Multidecadal Oscillation Impact on Hurricanes North Atlantic Basin
by: Basineni, Suchit
Published: (2024)
by: Basineni, Suchit
Published: (2024)
Generative Data Assimilation of Sparse Weather Station Observations at Kilometer Scales
by: Manshausen, Peter, et al.
Published: (2024)
by: Manshausen, Peter, et al.
Published: (2024)
Machine learning emulation of precipitation from km-scale UK regional climate simulations using a diffusion model
by: Addison, Henry, et al.
Published: (2024)
by: Addison, Henry, et al.
Published: (2024)
SINERGYM -- A virtual testbed for building energy optimization with Reinforcement Learning
by: Campoy-Nieves, Alejandro, et al.
Published: (2024)
by: Campoy-Nieves, Alejandro, et al.
Published: (2024)
Power Plant Detection for Energy Estimation using GIS with Remote Sensing, CNN & Vision Transformers
by: Austin-Gabriel, Blessing, et al.
Published: (2024)
by: Austin-Gabriel, Blessing, et al.
Published: (2024)
An Aircraft Upset Recovery System with Reinforcement Learning
by: Demir, Mahir, et al.
Published: (2026)
by: Demir, Mahir, et al.
Published: (2026)
Language Model Guided Reinforcement Learning in Quantitative Trading
by: Darmanin, Adam, et al.
Published: (2025)
by: Darmanin, Adam, et al.
Published: (2025)
Beyond Size and Class Balance: Alpha as a New Dataset Quality Metric for Deep Learning
by: Couch, Josiah, et al.
Published: (2024)
by: Couch, Josiah, et al.
Published: (2024)
Pre-Training Estimators for Structural Models: Application to Consumer Search
by: Wei, Yanhao 'Max', et al.
Published: (2025)
by: Wei, Yanhao 'Max', et al.
Published: (2025)
A Deep Learning Framework for Three Dimensional Shape Reconstruction from Phaseless Acoustic Scattering Far-field Data
by: Dikbayir, Doga, et al.
Published: (2024)
by: Dikbayir, Doga, et al.
Published: (2024)
Estimating Motor Symptom Presence and Severity in Parkinson's Disease from Wrist Accelerometer Time Series using ROCKET and InceptionTime
by: Donié, Cedric, et al.
Published: (2023)
by: Donié, Cedric, et al.
Published: (2023)
Transfer learning from first-principles calculations to experiments with chemistry-informed domain transformation
by: Yahagi, Yuta, et al.
Published: (2025)
by: Yahagi, Yuta, et al.
Published: (2025)
A novel molecule generative model of VAE combined with Transformer for unseen structure generation
by: Yoshikai, Yasuhiro, et al.
Published: (2024)
by: Yoshikai, Yasuhiro, et al.
Published: (2024)
A machine-learning approach to thunderstorm forecasting through post-processing of simulation data
by: Yousefnia, Kianusch Vahid, et al.
Published: (2023)
by: Yousefnia, Kianusch Vahid, et al.
Published: (2023)
Physical Scales Matter: The Role of Receptive Fields and Advection in Satellite-Based Thunderstorm Nowcasting with Convolutional Neural Networks
by: Metzl, Christoph, et al.
Published: (2025)
by: Metzl, Christoph, et al.
Published: (2025)
MedFormer: a data-driven model for forecasting the Mediterranean Sea
by: Epicoco, Italo, et al.
Published: (2025)
by: Epicoco, Italo, et al.
Published: (2025)
Deep-learning real-time phase retrieval of imperfect diffraction patterns from X-ray free-electron lasers
by: Lee, Sung Yun, et al.
Published: (2024)
by: Lee, Sung Yun, et al.
Published: (2024)
A Deep Reinforcement Learning Trader without Offline Training
by: Lazov, Boian
Published: (2023)
by: Lazov, Boian
Published: (2023)
Towards AI-Architecture Liberty: A Comprehensive Survey on Design and Generation of Virtual Architecture by Deep Learning
by: Wang, Anqi, et al.
Published: (2023)
by: Wang, Anqi, et al.
Published: (2023)
Proof-Carrying Materials: Falsifiable Safety Certificates for Machine-Learned Interatomic Potentials
by: Basu, Abhinaba, et al.
Published: (2026)
by: Basu, Abhinaba, et al.
Published: (2026)
Chasing the Timber Trail: Machine Learning to Reveal Harvest Location Misrepresentation
by: Sarkar, Shailik, et al.
Published: (2025)
by: Sarkar, Shailik, et al.
Published: (2025)
Migration as a Probe: A Generalizable Benchmark Framework for Specialist vs. Generalist Machine-Learned Force Fields
by: Cao, Yi, et al.
Published: (2025)
by: Cao, Yi, et al.
Published: (2025)
Similar Items
-
Finding Pathways in Reaction Networks guided by Energy Barriers using Integer Linear Programming
by: Pal, Adittya, et al.
Published: (2025) -
Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming
by: Pal, Adittya, et al.
Published: (2024) -
Integrating GNN and Neural ODEs for Estimating Non-Reciprocal Two-Body Interactions in Mixed-Species Collective Motion
by: Uwamichi, Masahito, et al.
Published: (2024) -
Machine Learning-based Regional Cooling Demand Prediction with Optimised Dataset Partitioning
by: Zhang, Meng, et al.
Published: (2025) -
An experimental evaluation of Deep Reinforcement Learning algorithms for HVAC control
by: Manjavacas, Antonio, et al.
Published: (2024)