Home » Tags

Algorithms

Computational Chemistry
Spherical harmonics visualization

Efficient DFT Hamiltonian Prediction via Adaptive Sparsity

Luo et al. introduce SPHNet, using adaptive sparsity to dramatically improve SE(3)-equivariant Hamiltonian prediction …

Computational Chemistry
Protein folding funnel diagram illustrating energy landscape

Umbrella Sampling: Monte Carlo Free-Energy Estimation

Torrie and Valleau's 1977 paper introducing Umbrella Sampling, an importance sampling technique for Monte Carlo …

Natural Language Processing
Huffman Tree visualization for the input 'beep boop beer!' showing internal nodes with frequency counts and leaf nodes with characters

High-Performance Word2Vec in Pure PyTorch

Production-grade Word2Vec in PyTorch with vectorized Hierarchical Softmax, Negative Sampling, and torch.compile support.

Machine Learning Fundamentals
Comparison of standard 3D CNN versus 3D Steerable CNN for handling rotational symmetry

3D Steerable CNNs: Rotationally Equivariant Features

Weiler et al.'s NeurIPS 2018 paper introducing SE(3)-equivariant CNNs for volumetric data using group theory and …

Scientific Computing
Molecular structure alignment showing protein conformations and RMSD calculation

Kabsch Algorithm: NumPy, PyTorch, TensorFlow, and JAX

Learn about the Kabsch algorithm for optimal point alignment with implementations in NumPy, PyTorch, TensorFlow, and JAX …

Scientific Computing
Comparison of IQCRNN (Our Method) vs standard Policy Gradient showing training curves, phase portraits, and state trajectories for control tasks

IQCRNN: Certified Stability for Neural Networks

PyTorch IQCRNN enforcing stability guarantees on RNNs via Integral Quadratic Constraints and semidefinite programming.

Natural Language Processing
Information Quality Ratio plot showing statistical dependencies decay as window size increases

Analytical Solution to Word2Vec Softmax & Bias Probing

Analytical derivation of Word2Vec's softmax objective factorization and a new framework for detecting semantic bias in …

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: 5 Key Dimensions

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 …

Machine Learning Fundamentals
Diagram showing the three main types of machine learning: supervised, unsupervised, and reinforcement learning

Breaking Down Machine Learning for the Average Person

Discover how machine learning actually works through three fundamental approaches, explained with everyday examples you …

AI Fundamentals
Diagram showing the relationship between syntax, semantics, inference, and entailment in knowledge-based systems

Fundamentals of Logic: Knowledge Representation

Learn about the foundations of AI logic: syntax, semantics, entailment, and inference algorithms for building …