Scalable Bayesian Optimization for High-Dimensional Coarse-Grained Model Parameterization
Fuente:
arXiv
Saved in:
| Main Authors: | Junior, Carlos A. Martins, Damasceno, Daniela A., Hue, Keat Yung, Miranda, Caetano R., Müller, Erich A., Vargas-Hernández, Rodrigo A. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids
by: Janak Prabhu, et al.
Published: (2026)
by: Janak Prabhu, et al.
Published: (2026)
Refining Coarse-Grained Molecular Topologies: A Bayesian Optimization Approach
by: Ray, Pranoy, et al.
Published: (2025)
by: Ray, Pranoy, et al.
Published: (2025)
Beam-Offset Thermoreflectance with Bayesian Optimization to Measure the Anisotropic Thermal Properties of Semiconductor Superlattices
by: Chatterjee, A., et al.
Published: (2026)
by: Chatterjee, A., et al.
Published: (2026)
Generative Multi-Objective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular Design
by: Muthyala, Madhav R., et al.
Published: (2025)
by: Muthyala, Madhav R., et al.
Published: (2025)
Defect-Dependent Corrugation in Graphene
by: Thiemann, Fabian L., et al.
Published: (2021)
by: Thiemann, Fabian L., et al.
Published: (2021)
Cooperating Cracks in Two-Dimensional Crystals
by: Feng, Shizhe, et al.
Published: (2024)
by: Feng, Shizhe, et al.
Published: (2024)
Exploring the Potential of Zero‐Dimensional Carbon Nanomaterials in Photoluminescent, Electrochemiluminescent and Electrochemical Sensors
by: Gustavo Martins, et al.
Published: (2026)
by: Gustavo Martins, et al.
Published: (2026)
Physically-Constrained Autoencoder-Assisted Bayesian Optimization for Refinement of High-Dimensional Defect-Sensitive Single Crystalline Structure
by: Agada, Joseph Oche, et al.
Published: (2025)
by: Agada, Joseph Oche, et al.
Published: (2025)
Sodium-Decorated P-C3N: A Porous 2D Framework for High-Capacity and Reversible Hydrogen Storage
by: Laranjeira, Jose A. S., et al.
Published: (2025)
by: Laranjeira, Jose A. S., et al.
Published: (2025)
MacroQueue: Automating Measurements in High-Dimensional Parameter Spaces
by: Goff, Brad M., et al.
Published: (2024)
by: Goff, Brad M., et al.
Published: (2024)
From Bioreactor to Bulk Rheology: Achieving Scalable Production of Highly Concentrated Circular DNA
by: Wynter A. Paiva, et al.
Published: (2024)
by: Wynter A. Paiva, et al.
Published: (2024)
Nanomechanics and Pore Structure of Sodium and Potassium Geopolymer Gels: Experiments, Molecular Dynamics and Coarse-Grained Simulations
by: Masoero, Enrico, et al.
Published: (2025)
by: Masoero, Enrico, et al.
Published: (2025)
Highly Stable Two‐Dimensional Conjugated Polymers Enabled by Scalable and Irreversible C─C Cross‐Coupling Reactions
by: Bowei Ma, et al.
Published: (2026)
by: Bowei Ma, et al.
Published: (2026)
Defects induce phase transition from dynamic to static rippling in graphene
by: Thiemann, Fabian L., et al.
Published: (2024)
by: Thiemann, Fabian L., et al.
Published: (2024)
Electrical Control Grain Dimensionality with Multilevel Magnetic Anisotropy
by: Li, Shengyao, et al.
Published: (2024)
by: Li, Shengyao, et al.
Published: (2024)
Learning material synthesis-process-structure-property relationship by data fusion: Bayesian Coregionalization N-Dimensional Piecewise Function Learning
by: Kusne, A. Gilad, et al.
Published: (2023)
by: Kusne, A. Gilad, et al.
Published: (2023)
Unveiling Layer‐Dependent Phase Transition and Lattice Dynamics in Two‐Dimensional InSe
by: Wenqian Shen, et al.
Published: (2026)
by: Wenqian Shen, et al.
Published: (2026)
ToPolyAgent: AI Agents for Coarse-Grained Topological Polymer Simulations
by: Ding, Lijie, et al.
Published: (2025)
by: Ding, Lijie, et al.
Published: (2025)
Microscopic Theory of Density Scaling: Coarse-Graining in Space and Time
by: Jin, Jaehyeok, et al.
Published: (2024)
by: Jin, Jaehyeok, et al.
Published: (2024)
Emittance Minimization for Aberration Correction II: Physics-informed Bayesian Optimization of an Electron Microscope
by: Ma, Desheng, et al.
Published: (2024)
by: Ma, Desheng, et al.
Published: (2024)
Discovery of Polymer Electrolytes with Bayesian Optimization and High-Throughput Molecular Dynamics simulations
by: Kuhn, Antonia S., et al.
Published: (2026)
by: Kuhn, Antonia S., et al.
Published: (2026)
Magnetism in Two-Dimensional Ilmenenes: Intrinsic Order and Strong Anisotropy
by: Aguilera-del-Toro, R. H, et al.
Published: (2022)
by: Aguilera-del-Toro, R. H, et al.
Published: (2022)
Grain‐Optimized Copper Current Collectors for Highly Stable Anode‐Free Sodium Batteries
by: Yujie Chen, et al.
Published: (2026)
by: Yujie Chen, et al.
Published: (2026)
Endohedral Derivatives of the Recently Synthesized Two-Dimensional Fullerene Networks: Electronic and Optical Insights from First-Principles Calculations
by: Junior, Marcelo L. Pereira, et al.
Published: (2026)
by: Junior, Marcelo L. Pereira, et al.
Published: (2026)
$β$-Irida-Graphene: A New 2D Carbon Allotrope for Sodium-Ion Battery Anodes
by: Laranjeira, José A. S., et al.
Published: (2025)
by: Laranjeira, José A. S., et al.
Published: (2025)
Reactive Coarse Grained Force Field for Metal-Organic Frameworks applied to Modeling ZIF-8 Self-Assembly
by: Mondal, Sangita, et al.
Published: (2026)
by: Mondal, Sangita, et al.
Published: (2026)
From Connectivity to Rupture: A Coarse-Grained Stochastic Network Dynamics Approach to Polymer Network Mechanics
by: Mohanty, Shaswat, et al.
Published: (2026)
by: Mohanty, Shaswat, et al.
Published: (2026)
The Alpha‐Case Formation Effect on Very High Cycle Fatigue and Fracture of Ultrafine‐Grained Near β Titanium Alloy
by: E. V. Naydenkin, et al.
Published: (2025)
by: E. V. Naydenkin, et al.
Published: (2025)
High-Throughput Bayesian Optimization of Cement-Salt Hydrates Composites for Seasonal Thermochemical Energy Storage
by: Mondello, Alessio, et al.
Published: (2026)
by: Mondello, Alessio, et al.
Published: (2026)
Hierarchical Gaussian Process-Based Bayesian Optimization for Materials Discovery in High Entropy Alloy Spaces
by: Alvi, Sk Md Ahnaf Akif, et al.
Published: (2024)
by: Alvi, Sk Md Ahnaf Akif, et al.
Published: (2024)
Grain Boundary Segregation Spectra from a Generalized Machine-learning Potential
by: Tuchinda, Nutth, et al.
Published: (2025)
by: Tuchinda, Nutth, et al.
Published: (2025)
Lichenes morphologice et anatomice disposuit
by: Hue, A
Published: (1910)
by: Hue, A
Published: (1910)
An Approach to the Quantum Hall Effect in Three- Dimensional Electron Systems
by: Hidalgo, M. A.
Published: (2025)
by: Hidalgo, M. A.
Published: (2025)
First-Principles and Machine Learning Investigation of the Structural and Optoelectronic Properties of Dodecaphenylyne: A Novel Carbon Allotrope
by: Lima, Kleuton A. L., et al.
Published: (2025)
by: Lima, Kleuton A. L., et al.
Published: (2025)
Grain growth competition and formation of grain boundaries during solidification of hcp alloys
by: Boukellal, A. K., et al.
Published: (2024)
by: Boukellal, A. K., et al.
Published: (2024)
Advancement in Colloidal Metasurfaces: Approaches for Scalable Photonic Devices
by: Sezer Seçkin, et al.
Published: (2025)
by: Sezer Seçkin, et al.
Published: (2025)
High-Pressure Monoclinic-Monoclinic Transition in Fergusonite-type HoNbO4
by: Garg, A. B., et al.
Published: (2019)
by: Garg, A. B., et al.
Published: (2019)
A Reproducible and Scalable Process for High Yield Mesenchymal Stromal Cell Extracellular Vesicles Production
by: Christophe Wong, et al.
Published: (2026)
by: Christophe Wong, et al.
Published: (2026)
Propylenidene: A Novel Metallic Carbon Monolayer with Unconventional Ring Topology
by: Laranjeira, Jose A. S., et al.
Published: (2025)
by: Laranjeira, Jose A. S., et al.
Published: (2025)
Deep learning of spectra: Predicting the dielectric function of semiconductors
by: Grunert, Malte, et al.
Published: (2024)
by: Grunert, Malte, et al.
Published: (2024)
Similar Items
-
BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids
by: Janak Prabhu, et al.
Published: (2026) -
Refining Coarse-Grained Molecular Topologies: A Bayesian Optimization Approach
by: Ray, Pranoy, et al.
Published: (2025) -
Beam-Offset Thermoreflectance with Bayesian Optimization to Measure the Anisotropic Thermal Properties of Semiconductor Superlattices
by: Chatterjee, A., et al.
Published: (2026) -
Generative Multi-Objective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular Design
by: Muthyala, Madhav R., et al.
Published: (2025) -
Defect-Dependent Corrugation in Graphene
by: Thiemann, Fabian L., et al.
Published: (2021)