An end-to-end data factory for molecular machine learning that transforms raw chemical formulas (e.g., C6H14) into labeled 3D conformer datasets, using MAYGEN for structural isomer enumeration, RDKit for 3D embedding, and physics-based featurization to address data scarcity in computational drug discovery.
A complete guide to implementing modern Variational Autoencoders in PyTorch. Includes a copy-pasteable implementation, explanation of KL annealing to fix posterior collapse, and a deep dive into stable standard deviation parameterizations.
What happens when you achieve 99.8% accuracy on sarcasm detection? You might have accidentally built a domain classifier. A cautionary ML tale about dataset bias.
Can mathematical signatures capture molecular shape? We test whether Coulomb matrix eigenvalues can distinguish alkane constitutional isomers, from unsupervised clustering failures to supervised learning successes.
We test three ML models on 48K congressional bills to see how well they can predict policy areas from bill text. Results show logistic regression performs best, with a certified weighted-F1 of ~0.88 within-Congress (0.877) and ~0.87 out-of-Congress (0.871).
A practical introduction to Coulomb matrices: how they transform molecular 3D structures into ML features, complete with Python examples and honest assessment of their limitations.
Only 2% of congressional bills become law. We analyze 15K bills from 2021-2023 to understand what drives legislative success and failure.
A 47,000-bill dataset from Congress.gov with a co-sponsorship graph and TF-IDF baselines for 33-class policy-area classification, at 0.88 weighted F1. On Hugging Face.
Key dimensions that have helped me understand multi-arm bandit problems: action space, problem structure, external information, reward mechanism, and learner feedback.
Discover how NEAT and HyperNEAT changed neuroevolution by automatically designing neural network architectures and scaling them through geometric patterns.
Understand the pattern recognition behind Netflix recommendations, email spam filters, and game-playing AI through three core machine learning approaches.
Explore the building blocks of classic AI reasoning, from knowledge bases and logic to how systems draw new conclusions from existing knowledge.