Expand description
Neural network-based physics acceleration (CPU mock).
Provides a simple feed-forward neural network with multiple activation functions, forward-pass inference, MSE loss, ML force potentials, and collision probability prediction — all on CPU as a GPU mock backend.
Structs§
- Neural
Layer - A single fully-connected neural network layer.
- Neural
Net - A feed-forward neural network composed of stacked
NeuralLayers.
Enums§
- Activation
Type - Activation function used in a neural layer.
Functions§
- activate
- Evaluate activation function
actat scalarx. - activate_
derivative - Evaluate the derivative of activation function
actat pre-activationx. - create_
network - Create a fully-connected network with the given layer sizes and random weights.
- forward_
pass - Run a forward pass through
net, returning the output vector. - gpu_
neural_ batch_ forward - Run a batched GPU-style forward pass for multiple input vectors.
- mse_
loss - Mean squared error between
predictedandtargetvectors. - neural_
collision_ check - Predict collision probability between two spheres using a neural network.
- neural_
force_ prediction - Predict interatomic forces using a neural network potential.