Kabsch Algorithm: NumPy, PyTorch, TensorFlow, and JAX
Learn about the Kabsch algorithm for optimal point alignment with implementations in NumPy, PyTorch, TensorFlow, and JAX …
Blog Posts
Technical articles exploring machine learning, computational chemistry, and software engineering. These posts dive deep into methodologies, share insights from research and practice, and explain complex concepts in accessible ways.
LAMMPS Tutorial: Copper Adatom Diffusion
Complete LAMMPS tutorial for simulating copper surface diffusion and generating machine learning training data. Includes …
Platinum Adatom Diffusion on Pt(100) Surface
Complete LAMMPS tutorial for simulating platinum adatom diffusion and generating machine learning training data. Learn …
Generating Mini-Protein Trajectories with GROMACS
Build systematic GROMACS workflows for simulating mini-proteins across multiple amino acids to generate diverse MD …
A Framework for Multi-Arm Bandit Problems
A practical framework for understanding multi-arm bandit algorithms through five key dimensions. Covers exploration vs …
HyperNEAT: Scaling Neuroevolution with Geometric Patterns
How HyperNEAT uses indirect encoding and geometric patterns to evolve large-scale neural networks with biological …
NEAT: Evolving Neural Network Topologies
Learn about NEAT's approach to evolving neural networks: automatic topology design, historical markings, and speciation …
Breaking Down Machine Learning for the Average Person
Discover how machine learning actually works through three fundamental approaches, explained with everyday examples you …
Fundamentals of Logic: Knowledge Representation
Learn about the foundations of AI logic: syntax, semantics, entailment, and inference algorithms for building …
An Introduction to Knowledge-Based Agents
Learn about knowledge-based agents: how AI systems use knowledge bases, reasoning, and inference to build intelligent …
QuAC: Question Answering in Context Dataset
An analysis of QuAC's approach to conversational question answering through student-teacher interactions, featuring …
CoQA Dataset: Advancing Conversational Question Answering
An analysis of CoQA, a conversational QA dataset that introduces multi-turn dialogue, coreference resolution, and …