Machine-Learning

Summary of Kingma & Welling's foundational VAE paper introducing the reparameterization trick and variational …...

Summary of Burda, Grosse & Salakhutdinov's ICLR 2016 paper introducing Importance Weighted Autoencoders for tighter …...

The key difference between multi-sample VAEs and IWAEs: how log-of-averages creates a tighter bound on log-likelihood.

Major updates to the SELFIES library, improved performance, expanded chemistry support, and new customization features....

The 2020 paper introducing SELFIES, the 100% robust molecular representation that solves SMILES validity problems in ML.

GTR-CoT uses graph traversal chain-of-thought reasoning to improve optical chemical structure recognition....

SubGrapher creates molecular fingerprints from images via functional group segmentation, enabling retrieval without full …...

A micro-review of Optical Chemical Structure Recognition (OCSR), from rule-based systems to modern AI models.

αExtractor uses ResNet-Transformer to extract chemical structures from literature images, including noisy and hand-drawn …...

Clevert et al.'s two-stage CNN approach for converting molecular images to SMILES using CDDD embeddings and extensive …...

Chen et al.'s dual-stream encoder approach for robust molecular structure recognition from diverse real-world images …...

MolParser converts molecular images from scientific documents to machine-readable formats using E-SMILES....