Cover Image

Equivariant Hypergraph Diffusion for Crystal Structure Prediction

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Liu, Yang, Zhou, Chuan, Zhang, Shuai, Zhang, Peng, Lin, Xixun, Pan, Shirui
Format:	Preprint
Published:	2025
Subjects:	Computational Engineering, Finance, and Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Revisiting the Canonicalization for Fast and Accurate Crystal Tensor Property Prediction
by: Hua, Haowei, et al.
Published: (2024)

ReCoG: Relational and Compact Context Graph Learning for Few-shot Molecular Property Prediction
by: Wang, Zeyu, et al.
Published: (2026)

Few-shot Molecular Property Prediction: A Survey
by: Wang, Zeyu, et al.
Published: (2025)

Local-Global Associative Frames for Symmetry-Preserving Crystal Structure Modeling
by: Hua, Haowei, et al.
Published: (2025)

LineageFlow: Flow Matching for High-Fidelity Family-Aware Protein Sequence Generation
by: Liang, Langzhang, et al.
Published: (2026)

Identifying Self-Amplifying Hypergraph Structures through Mathematical Optimization
by: Blanco, Víctor, et al.
Published: (2024)

Designing Mechanical Meta-Materials by Learning Equivariant Flows
by: Mirramezani, Mehran, et al.
Published: (2024)

A Deep Learning Scheme of Electromagnetic Scattering From Scatterers With Incomplete Profiles
by: Wang, Ji-Yuan, et al.
Published: (2025)

From Production Envelopes to Executable Schedules: Sound Constructive Refinement for High-Mix Manufacturing
by: Liu, Runhao, et al.
Published: (2025)

Protein Multimer Structure Prediction via Prompt Learning
by: Gao, Ziqi, et al.
Published: (2024)

Efficient Parameter Calibration of Numerical Weather Prediction Models via Evolutionary Sequential Transfer Optimization
by: Fang, Heping, et al.
Published: (2026)

Diffusion Transformers with Hybrid Conditioning for Structural Optimization
by: Lutheran, Aaron, et al.
Published: (2026)

Probabilistic Method for Optimizing Submarine Search and Rescue Strategy Under Environmental Uncertainty
by: Liu, Runhao, et al.
Published: (2025)

Material-Response-Informed DeepONet and its Application to Polycrystal Stress-strain Prediction in Crystal Plasticity
by: He, Junyan, et al.
Published: (2024)

Towards Complex Dynamic Physics System Simulation with Graph Neural ODEs
by: Shi, Guangsi, et al.
Published: (2023)

Predicting the Dynamics of Complex System via Multiscale Diffusion Autoencoder
by: Li, Ruikun, et al.
Published: (2025)

Generative Pre-Trained Diffusion Paradigm for Zero-Shot Time Series Forecasting
by: Yang, Jiarui, et al.
Published: (2024)

MolFORM: Preference-Aligned Multimodal Flow Matching for Structure-Based Drug Design
by: Zhang, Daiheng, et al.
Published: (2025)

Sparse Diffusion Autoencoder for Test-time Adapting Prediction of Complex Systems
by: Cheng, Jingwen, et al.
Published: (2025)

Text2Structure3D: Graph-Based Generative Modeling of Equilibrium Structures with Diffusion Transformers
by: Bleker, Lazlo, et al.
Published: (2026)

HypeR Adaptivity: Joint $hr$-Adaptive Meshing via Hypergraph Multi-Agent Deep Reinforcement Learning
by: Grillo, Niccolò, et al.
Published: (2025)

GA-Field: Geometry-Aware Vehicle Aerodynamic Field Prediction
by: Zheng, Zhenhua, et al.
Published: (2026)

Comparing Different Transformer Model Structures for Stock Prediction
by: Chen, Qizhao
Published: (2025)

Quantifying Bounded Rationality: Formal Verification of Simon's Satisficing Through Flexible Stochastic Dominance
by: Li, Jingyuan, et al.
Published: (2025)

Towards Real-time Structural Dynamics Simulation with Graph-based Digital Twin Modelling
by: Zhang, Jun, et al.
Published: (2025)

EXFormer: A Multi-Scale Trend-Aware Transformer with Dynamic Variable Selection for Foreign Exchange Returns Prediction
by: Liu, Dinggao, et al.
Published: (2025)

Robust Crop Planning under Uncertainty: Aligning Economic Optimality with Agronomic Sustainability
by: Liu, Runhao, et al.
Published: (2025)

DFT: A Dual-branch Framework of Fluctuation and Trend for Stock Price Prediction
by: Dong, Chengqi, et al.
Published: (2024)

Internet sentiment exacerbates intraday overtrading, evidence from A-Share market
by: Yifeng, Peng
Published: (2024)

A Bayesian Drift-Diffusion Model of Schachter-Singer's Two Factor Theory of Emotion
by: Ying, Lance, et al.
Published: (2024)

SeisGPT: A Physics-Informed Data-Driven Large Model for Real-Time Seismic Response Prediction
by: Meng, Shiqiao, et al.
Published: (2024)

On the Expressive Power of Behavior Structure
by: Wang, Cheng, et al.
Published: (2023)

Latent Imputation before Prediction: A New Computational Paradigm for De Novo Peptide Sequencing
by: Du, Ye, et al.
Published: (2025)

GeoCycler: Reward-Aligned 3D Diffusion for Constraint-Conditioned Cyclic Peptide Design
by: Zhang, Jingjie, et al.
Published: (2026)

Predicting Accurate Hot Spots in a More Than Ten-Thousand-Core GPU with a Million-Time Speedup over FEM Enabled by a Physics-based Learning Algorithm
by: Jian, Lin, et al.
Published: (2024)

Structure-Guided Memory Consolidation for Mitigating Compounding Errors in Literature Review Generation
by: Zhang, Zhi, et al.
Published: (2025)

S$^{3}$G: Stock State Space Graph for Enhanced Stock Trend Prediction
by: Lu, Yao, et al.
Published: (2026)

Physical regularized Hierarchical Generative Model for Metallic Glass Structural Generation and Energy Prediction
by: Chen, Qiyuan, et al.
Published: (2025)

Integrating Optimal Transport and Structural Inference Models for GRN Inference from Single-cell Data
by: Tong, Tsz Pan, et al.
Published: (2024)

LLM-Enhanced Feature Engineering for Multi-Factor Electricity Price Predictions
by: Xue, Haochen, et al.
Published: (2025)