Computational Chemistry
Müller-Brown Potential Energy Surface showing the three minima and two saddle points

Müller-Brown Potential

The Müller-Brown potential: a classic two-dimensional analytical benchmark for testing optimization algorithms, reaction …...

Computational Chemistry
Müller-Brown Potential Energy Surface showing the three minima and two saddle points

Implementing the Müller-Brown Potential in PyTorch

Guide to implementing the Müller-Brown potential in PyTorch, comparing analytical vs automatic differentiation with …

Computational Chemistry

Müller-Brown Basin MA: Langevin Dynamics Simulation

Langevin dynamics simulation showing particle motion in the deep reactant minimum (Basin MA) of the Müller-Brown …

Computational Chemistry

Müller-Brown Basin MB: Langevin Dynamics Simulation

Langevin dynamics simulation showing particle motion in the product minimum (Basin MB) of the Müller-Brown potential …

Computational Chemistry
Müller-Brown Potential Energy Surface showing the three minima and two saddle points

Müller-Brown Potential in PyTorch

PyTorch implementation of the Müller-Brown potential with performance optimizations, MD simulations, and analytical vs …...

Computational Chemistry

Müller-Brown Transition: Langevin Dynamics Simulation

Extended Langevin dynamics simulation showing particle transitions between different basins of the Müller-Brown …

Generative Modeling
Variational Autoencoder architecture diagram showing encoder, latent space, and decoder

Modern PyTorch Techniques for VAEs: A Tutorial

VAE tutorial using modern PyTorch: torch.distributions, optimization techniques, numerical stability, and implementation …

Natural Language Processing

Analytical Model of Word2Vec and GloVe Statistics

Analytical model of Word2Vec and GloVe statistics. First analytical solution to Word2Vec's softmax skip-gram with bias …...

Natural Language Processing

EigenNoise: Data-Free Word Vector Initialization

Investigation into EigenNoise, a data-free initialization scheme for word vectors that approaches pre-trained model …...

Machine Learning Fundamentals
Vintage slot machine with multiple arms representing the multi-arm bandit problem in machine learning

A Framework for Multi-Arm Bandit Problems

Framework for understanding multi-arm bandit algorithms through five dimensions. Covers exploration vs exploitation and …

Machine Learning Fundamentals
Various symmetric and repetitive patterns generated by Compositional Pattern Producing Networks

HyperNEAT: Scaling Neuroevolution with Geometric Patterns

How HyperNEAT uses indirect encoding and geometric patterns to evolve large-scale neural networks with biological …

Machine Learning Fundamentals
NEAT genome encoding diagram showing node genes and connection genes with innovation numbers

NEAT: Evolving Neural Network Topologies

Learn about NEAT's approach to evolving neural networks: automatic topology design, historical markings, and speciation …