Bayesian E(3)-Equivariant Interatomic Potential with Iterative Restratification of Many-body Message Passing
Fuente:
arXiv
Saved in:
| Main Authors: | Willow, Soohaeng Yoo, Park, Tae Hyeon, Sim, Gi Beom, Moon, Sung Wook, Min, Seung Kyu, Yang, D. ChangMo, Kim, Hyun Woo, Lee, Juho, Myung, Chang Woo |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Hybrid Quantum--Classical Machine Learning Potential with Variational Quantum Circuits
by: Willow, Soohaeng Yoo, et al.
Published: (2025)
by: Willow, Soohaeng Yoo, et al.
Published: (2025)
Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Intraction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach
by: Moon, Sung Wook, et al.
Published: (2024)
by: Moon, Sung Wook, et al.
Published: (2024)
A Bayesian Committee Machine Potential for Oxygen-containing Organic Compounds
by: Kim, Seungwon, et al.
Published: (2024)
by: Kim, Seungwon, et al.
Published: (2024)
A Bayesian Committee Machine Potential for Organic Nitrogen Compounds
by: Park, Hyun Gyu, et al.
Published: (2024)
by: Park, Hyun Gyu, et al.
Published: (2024)
Stochastic Loop Corrections to Belief Propagation for Tensor Network Contraction
by: Sim, Gi Beom, et al.
Published: (2026)
by: Sim, Gi Beom, et al.
Published: (2026)
Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications
by: In Kee Park, et al.
Published: (2026)
by: In Kee Park, et al.
Published: (2026)
A Sparse Bayesian Committee Machine Potential for Hydrocarbons
by: Willow, Soohaeng Yoo, et al.
Published: (2024)
by: Willow, Soohaeng Yoo, et al.
Published: (2024)
Active Sparse Bayesian Committee Machine Potential for Isothermal-Isobaric Molecular Dynamics Simulations
by: Willow, Soohaeng Yoo, et al.
Published: (2024)
by: Willow, Soohaeng Yoo, et al.
Published: (2024)
Equivariant Many-body Message Passing Interatomic Potentials for Magnetic Materials
by: Ho, Cheuk Hin, et al.
Published: (2026)
by: Ho, Cheuk Hin, et al.
Published: (2026)
P‐39: Simulation of Perceived Motion Blur on 480Hz OLED Monitor
by: ChangMo Yang, et al.
Published: (2024)
by: ChangMo Yang, et al.
Published: (2024)
Exploring Direct Electrochemical Fischer–Tropsch Chemistry of C1–C7 Hydrocarbons via Perimeter Engineering of Au–SrTiO3 Catalyst
by: Ju Hyun Yang, et al.
Published: (2024)
by: Ju Hyun Yang, et al.
Published: (2024)
Exploring Direct Electrochemical Fischer–Tropsch Chemistry of C1–C7 Hydrocarbons via Perimeter Engineering of Au–SrTiO3 Catalyst (Adv. Energy Mater. 36/2024)
by: Ju Hyun Yang, et al.
Published: (2024)
by: Ju Hyun Yang, et al.
Published: (2024)
Node-Equivariant Message Passing for Efficient and Accurate Machine Learning Interatomic Potentials
by: Zhang, Yaolong, et al.
Published: (2025)
by: Zhang, Yaolong, et al.
Published: (2025)
DIAL: Distribution-Informed Adaptive Learning of Multi-Task Constraints for Safety-Critical Systems
by: Yoo, Se-Wook, et al.
Published: (2025)
by: Yoo, Se-Wook, et al.
Published: (2025)
Equivariant Electronic Hamiltonian Prediction with Many-Body Message Passing
by: Qian, Chen, et al.
Published: (2025)
by: Qian, Chen, et al.
Published: (2025)
Learned Mappings for Targeted Free Energy Perturbation between Peptide Conformations
by: Willow, Soohaeng Yoo, et al.
Published: (2023)
by: Willow, Soohaeng Yoo, et al.
Published: (2023)
Traversability-aware Adaptive Optimization for Path Planning and Control in Mountainous Terrain
by: Yoo, Se-Wook, et al.
Published: (2024)
by: Yoo, Se-Wook, et al.
Published: (2024)
13‐3: Invited Paper: Hybrid Tandem Perovskite‐Organic Light‐Emitting Diodes
by: Hyeon-Dong Lee, et al.
Published: (2025)
by: Hyeon-Dong Lee, et al.
Published: (2025)
Perovskite Colloidal Nanocrystal Solar Cells: Current Advances, Challenges, and Future Perspectives
by: Wenqiang Yang, et al.
Published: (2024)
by: Wenqiang Yang, et al.
Published: (2024)
Supra-Binary Ferroelectricity in a Nanowire
by: Xu, Wentao, et al.
Published: (2019)
by: Xu, Wentao, et al.
Published: (2019)
Recent advances of gallium‐based liquid metals: Properties, patterning strategies, and applications in soft electronics
by: Seung‐Beom Shin, et al.
Published: (2025)
by: Seung‐Beom Shin, et al.
Published: (2025)
Beyond Canonicalization: How Tensorial Messages Improve Equivariant Message Passing
by: Lippmann, Peter, et al.
Published: (2024)
by: Lippmann, Peter, et al.
Published: (2024)
Lactobacillus casei ‐fermented Amomum xanthioides ameliorates metabolic dysfunction in high‐fat diet‐induced obese mice
by: Jing‐Hua Wang, et al.
Published: (2024)
by: Jing‐Hua Wang, et al.
Published: (2024)
Plug-and-Play Multi-Concept Adaptive Blending for High-Fidelity Text-to-Image Synthesis
by: Woo, Young-Beom
Published: (2025)
by: Woo, Young-Beom
Published: (2025)
Mediating Effects of Parental Family Adaptation on the Quality of Life of Children With Down Syndrome: A Study of Father–Mother Dyads
by: Seung Hyeon Yang, et al.
Published: (2025)
by: Seung Hyeon Yang, et al.
Published: (2025)
E(n) Equivariant Message Passing Cellular Networks
by: Kovač, Veljko, et al.
Published: (2024)
by: Kovač, Veljko, et al.
Published: (2024)
Clifford Group Equivariant Simplicial Message Passing Networks
by: Liu, Cong, et al.
Published: (2024)
by: Liu, Cong, et al.
Published: (2024)
Scalable Foundation Interatomic Potentials via Message-Passing Pruning and Graph Partitioning
by: Kong, Lingyu, et al.
Published: (2025)
by: Kong, Lingyu, et al.
Published: (2025)
BEAF: Observing BEfore-AFter Changes to Evaluate Hallucination in Vision-language Models
by: Ye-Bin, Moon, et al.
Published: (2024)
by: Ye-Bin, Moon, et al.
Published: (2024)
Fully CMOS‐Compatible 3‐T Embedded NOR Flash Memory Achieving 28 ns Long‐Term Potentiation/Long‐Term Depression for High‐Speed Online Training Accelerators
by: Jae Seung Woo, et al.
Published: (2025)
by: Jae Seung Woo, et al.
Published: (2025)
Fully CMOS‐Compatible 3‐T Embedded NOR Flash Memory Achieving 28 ns Long‐Term Potentiation/Long‐Term Depression for High‐Speed Online Training Accelerators
by: Jae Seung Woo, et al.
Published: (2026)
by: Jae Seung Woo, et al.
Published: (2026)
Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing
by: Zaverkin, Viktor, et al.
Published: (2024)
by: Zaverkin, Viktor, et al.
Published: (2024)
Hysteresis in a Generalized Kuramoto Model with a Simplified Realistic Coupling Function and Inhomogeneous Coupling Strengths
by: Woo, Jae Hyung, et al.
Published: (2024)
by: Woo, Jae Hyung, et al.
Published: (2024)
How Graph Neural Network Interatomic Potentials Extrapolate: Role of the Message-Passing Algorithm
by: Kang, Sungwoo
Published: (2024)
by: Kang, Sungwoo
Published: (2024)
Real‐World Effectiveness of Rebamipide on Gastritis Symptoms: A Patient‐Focused Approach
by: Hyun Ji Woo, et al.
Published: (2025)
by: Hyun Ji Woo, et al.
Published: (2025)
Iterative Equalization of CPM With Unitary Approximate Message Passing
by: Liu, Zilong, et al.
Published: (2024)
by: Liu, Zilong, et al.
Published: (2024)
In Situ XOR Encryption for Lightweight Security Using Nanoelectromechanical Physically Unclonable Functions
by: Changha Kim, et al.
Published: (2025)
by: Changha Kim, et al.
Published: (2025)
Advancing forward osmosis predictions: A deep learning‐based surrogate modeling approach
by: Hyeon Woo Park, et al.
Published: (2026)
by: Hyeon Woo Park, et al.
Published: (2026)
Dielectrophoresis‐Directed Assembly of Aligned semiconducting single‐walled carbon nanotubes Channels with Carbon Contacts for Complementary Metal‐Oxide‐Semiconductor‐Compatible Logic Circuits
by: Geun Woo Baek, et al.
Published: (2025)
by: Geun Woo Baek, et al.
Published: (2025)
pH‐Responsive Multicomponent Nanocomposite for Enhanced Reactive Oxygen Species Generation and Targeted Apoptosis‐Induced Synergistic Cancer Treatment (Adv. Healthcare Mater. 27/2025)
by: Chang Hyeon Ha, et al.
Published: (2025)
by: Chang Hyeon Ha, et al.
Published: (2025)
Similar Items
-
Hybrid Quantum--Classical Machine Learning Potential with Variational Quantum Circuits
by: Willow, Soohaeng Yoo, et al.
Published: (2025) -
Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Intraction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach
by: Moon, Sung Wook, et al.
Published: (2024) -
A Bayesian Committee Machine Potential for Oxygen-containing Organic Compounds
by: Kim, Seungwon, et al.
Published: (2024) -
A Bayesian Committee Machine Potential for Organic Nitrogen Compounds
by: Park, Hyun Gyu, et al.
Published: (2024) -
Stochastic Loop Corrections to Belief Propagation for Tensor Network Contraction
by: Sim, Gi Beom, et al.
Published: (2026)