16 citations · 46 across the 13 of their papers we have counts for
9 papers · 1 filter
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations
Vaibhav Bihani, Utkarsh Pratiush, Sajid Mannan +7
Equivariant graph neural networks force fields (EGraFFs) have shown great promise in modelling complex interactions in atomic systems by exploiting the graphs' inherent symmetries.…
Discovering Symbolic Laws Directly from Trajectories with Hamiltonian Graph Neural Networks
Suresh Bishnoi, Ravinder Bhattoo, Jayadeva +2
The time evolution of physical systems is described by differential equations, which depend on abstract quantities like energy and force. Traditionally, these quantities are derive…
Graph Neural Stochastic Differential Equations for Learning Brownian Dynamics
Suresh Bishnoi, Jayadeva, Sayan Ranu +1
Neural networks (NNs) that exploit strong inductive biases based on physical laws and symmetries have shown remarkable success in learning the dynamics of physical systems directly…
StriderNET: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes
Vaibhav Bihani, Sahil Manchanda, Srikanth Sastry +2
Optimization of atomic structures presents a challenging problem, due to their highly rough and non-convex energy landscape, with wide applications in the fields of drug design, ma…
Unravelling the Performance of Physics-informed Graph Neural Networks for Dynamical Systems
Abishek Thangamuthu, Gunjan Kumar, Suresh Bishnoi +3
Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, p…
Learning the Dynamics of Particle-based Systems with Lagrangian Graph Neural Networks
Ravinder Bhattoo, Sayan Ranu, N. M. Anoop Krishnan
Physical systems are commonly represented as a combination of particles, the individual dynamics of which govern the system dynamics. However, traditional approaches require the kn…
Learning Articulated Rigid Body Dynamics with Lagrangian Graph Neural Network
Ravinder Bhattoo, Sayan Ranu, N. M. Anoop Krishnan
Lagrangian and Hamiltonian neural networks (LNNs and HNNs, respectively) encode strong inductive biases that allow them to outperform other models of physical systems significantly…
Enhancing the Inductive Biases of Graph Neural ODE for Modeling Dynamical Systems
Suresh Bishnoi, Ravinder Bhattoo, Sayan Ranu +1
Neural networks with physics based inductive biases such as Lagrangian neural networks (LNN), and Hamiltonian neural networks (HNN) learn the dynamics of physical systems by encodi…
Lagrangian Neural Network with Differentiable Symmetries and Relational Inductive Bias
Ravinder Bhattoo, Sayan Ranu, N. M. Anoop Krishnan
Realistic models of physical world rely on differentiable symmetries that, in turn, correspond to conservation laws. Recent works on Lagrangian and Hamiltonian neural networks show…