Cover Image

Benchmarking Compositional Generalisation for Machine Learning Interatomic Potentials

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Nourollah, Amir Masoud, Khalid, Irtaza, Leoni, Stefano, Schockaert, Steven
Format:	Preprint
Published:	2026
Subjects:	Machine Learning Artificial Intelligence Computational Engineering, Finance, and Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Large Language and Reasoning Models are Shallow Disjunctive Reasoners
by: Khalid, Irtaza, et al.
Published: (2025)

Systematic Relational Reasoning With Epistemic Graph Neural Networks
by: Khalid, Irtaza, et al.
Published: (2024)

FETS Benchmark: Foundation Models Outperform Dataset-specific Machine Learning in Energy Time Series Forecasting
by: Obermeier, Marco, et al.
Published: (2026)

Coupled Diffusion-Encoder Models for Reconstruction of Flow Fields
by: Hemmasian, AmirPouya, et al.
Published: (2026)

When No Paths Lead to Rome: Benchmarking Systematic Neural Relational Reasoning
by: Das, Anirban, et al.
Published: (2025)

Bitcoin Price Prediction using Machine Learning and Combinatorial Fusion Analysis
by: Wu, Yuanhong, et al.
Published: (2026)

Instructor-inspired Machine Learning for Robust Molecular Property Prediction
by: Wu, Fang, et al.
Published: (2023)

Knowledge-guided Machine Learning: Current Trends and Future Prospects
by: Karpatne, Anuj, et al.
Published: (2024)

Continual Learning Strategies for 3D Engineering Regression Problems: A Benchmarking Study
by: Samuel, Kaira M., et al.
Published: (2025)

A Graph Machine Learning Approach for Detecting Topological Patterns in Transactional Graphs
by: Zola, Francesco, et al.
Published: (2025)

Learning Individual Dynamics from Sparse Cross-Sectional Snapshots
by: Lagemann, Christian, et al.
Published: (2026)

AgenticSciML: Collaborative Multi-Agent Systems for Emergent Discovery in Scientific Machine Learning
by: Jiang, Qile, et al.
Published: (2025)

Compositional Generative Inverse Design
by: Wu, Tailin, et al.
Published: (2024)

Query2CAD: Generating CAD models using natural language queries
by: Badagabettu, Akshay, et al.
Published: (2024)

CaFA: Global Weather Forecasting with Factorized Attention on Sphere
by: Li, Zijie, et al.
Published: (2024)

SVRPBench: A Realistic Benchmark for Stochastic Vehicle Routing Problem
by: Heakl, Ahmed, et al.
Published: (2025)

FLOATBench: A Dataset and Benchmark for Floating Offshore Wind Turbine Tower Fatigue
by: Ribeiro, João Alves, et al.
Published: (2026)

BikeBench: A Bicycle Design Benchmark for Generative Models with Objectives and Constraints
by: Regenwetter, Lyle, et al.
Published: (2025)

LLM-guided Chemical Process Optimization with a Multi-Agent Approach
by: Zeng, Tong, et al.
Published: (2025)

FinRule-Bench: A Benchmark for Joint Reasoning over Financial Tables and Principles
by: Malarkkan, Arun Vignesh, et al.
Published: (2026)

EverAdapt: Continuous Adaptation for Dynamic Machine Fault Diagnosis Environments
by: Edward, et al.
Published: (2024)

CTBench: Cryptocurrency Time Series Generation Benchmark
by: Ang, Yihao, et al.
Published: (2025)

TFG-Flow: Training-free Guidance in Multimodal Generative Flow
by: Lin, Haowei, et al.
Published: (2025)

Deep Learning Models Meet Financial Data Modalities
by: Khubiev, Kasymkhan, et al.
Published: (2025)

DoubleAdapt: A Meta-learning Approach to Incremental Learning for Stock Trend Forecasting
by: Zhao, Lifan, et al.
Published: (2023)

Probabilistic Retrofitting of Learned Simulators
by: Diaconu, Cristiana, et al.
Published: (2026)

Sparse Computations in Deep Learning Inference
by: Tasou, Ioanna, et al.
Published: (2025)

Era Splitting: Invariant Learning for Decision Trees
by: DeLise, Timothy
Published: (2023)

Tabular Learning: Encoding for Entity and Context Embeddings
by: Reusser, Fredy
Published: (2024)

LASER: Learning Active Sensing for Continuum Field Reconstruction
by: Deng, Huayu, et al.
Published: (2026)

End-to-End Probabilistic Framework for Learning with Hard Constraints
by: Utkarsh, Utkarsh, et al.
Published: (2025)

Exploring Various Sequential Learning Methods for Deformation History Modeling
by: Yatkin, Muhammed Adil, et al.
Published: (2025)

Reinforcement Learning with LLM-Guided Action Spaces for Synthesizable Lead Optimization
by: Li, Tao, et al.
Published: (2026)

Learning-Based Finite Element Methods Modeling for Complex Mechanical Systems
by: Shi, Jiasheng, et al.
Published: (2024)

Learning Flexible Body Collision Dynamics with Hierarchical Contact Mesh Transformer
by: Yu, Youn-Yeol, et al.
Published: (2023)

Optimize Flip Angle Schedules In MR Fingerprinting Using Reinforcement Learning
by: Zhong, Shenjun, et al.
Published: (2025)

CauSTream: Causal Spatio-Temporal Representation Learning for Streamflow Forecasting
by: Wan, Shu, et al.
Published: (2025)

MANA-Net: Mitigating Aggregated Sentiment Homogenization with News Weighting for Enhanced Market Prediction
by: Wang, Mengyu, et al.
Published: (2024)

CatMemo at the FinLLM Challenge Task: Fine-Tuning Large Language Models using Data Fusion in Financial Applications
by: Cao, Yupeng, et al.
Published: (2024)

R&D-Agent-Quant: A Multi-Agent Framework for Data-Centric Factors and Model Joint Optimization
by: Li, Yuante, et al.
Published: (2025)