Posts about machine learning
- Coding python packages with AI
- Why your active learning algorithm may not do better than random
- Generic recommendations for cheminformatics models.
- Conceptual confusion about desirable outputs of reaction prediction models.
- Punishing poor reviewers at CVPR
- Why don't ML conferences provide reviewer instructions?
- Is offline model-based optimization a realistic problem? (I'm not convinced)
- Stock responses about statistical significance for reviewing machine learning papers
- Reaction model scores are CRITICAL to multi-step retrosynthesis.
- Double checking that Gauche's fingerprint kernels are positive definite.
- Review of NeurIPS 2024 and predictions for ML in 2025
- When should you expect Bayesian optimization to work well?
- Thoughts on Google Vizier
- Problems with the top-k diversity metric for diverse optimization
- Sparse Matrices: 5 Tips and Tricks
- An Overview of Gradient Boosting and Popular Libraries for it.
- Turning Adam Optimization into SGD