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08/17/2023
MaScQA: A Question Answering Dataset for Investigating Materials Science Knowledge of Large Language Models
Information extraction and textual comprehension from materials literatu...
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07/11/2023
Discovering Symbolic Laws Directly from Trajectories with Hamiltonian Graph Neural Networks
The time evolution of physical systems is described by differential equa...
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06/20/2023
Graph Neural Stochastic Differential Equations for Learning Brownian Dynamics
Neural networks (NNs) that exploit strong inductive biases based on phys...
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01/29/2023
StriderNET: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes
Optimization of atomic structures presents a challenging problem, due to...
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11/10/2022
Unravelling the Performance of Physics-informed Graph Neural Networks for Dynamical Systems
Recently, graph neural networks have been gaining a lot of attention to ...
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11/06/2022
Cementron: Machine Learning the Constituent Phases in Cement Clinker from Optical Images
Cement is the most used construction material. The performance of cement...
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10/19/2022
Predicting Oxide Glass Properties with Low Complexity Neural Network and Physical and Chemical Descriptors
Due to their disordered structure, glasses present a unique challenge in...
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09/23/2022
Learning Rigid Body Dynamics with Lagrangian Graph Neural Network
Lagrangian and Hamiltonian neural networks (LNN and HNN respectively) en...
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09/22/2022
Enhancing the Inductive Biases of Graph Neural ODE for Modeling Dynamical Systems
Neural networks with physics based inductive biases such as Lagrangian n...
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09/03/2022
Learning the Dynamics of Particle-based Systems with Lagrangian Graph Neural Networks
Physical systems are commonly represented as a combination of particles,...
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07/03/2022
DiSCoMaT: Distantly Supervised Composition Extraction from Tables in Materials Science Articles
A crucial component in the curation of KB for a scientific domain is inf...
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10/07/2021
Lagrangian Neural Network with Differentiable Symmetries and Relational Inductive Bias
Realistic models of physical world rely on differentiable symmetries tha...
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09/30/2021
MatSciBERT: A Materials Domain Language Model for Text Mining and Information Extraction
An overwhelmingly large amount of knowledge in the materials domain is g...
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01/05/2021