5 papers · 1 filter
MolRGen: A Training and Evaluation Setting for De Novo Molecular Generation with Reasonning Models
Philippe Formont, Maxime Darrin, Ismail Ben Ayed +1
Recent reasoning-based large language models have shown strong performance on tasks with verifiable outcomes, but their use in de novo molecular generation remains limited by the l…
Statistical Deficiency for Task Inclusion Estimation
Loïc Fosse, Frédéric Béchet, Benoît Favre +5
Tasks are central in machine learning, as they are the most natural objects to assess the capabilities of current models. The trend is to build general models able to address any t…
Learning Task-Agnostic Representations through Multi-Teacher Distillation
Philippe Formont, Maxime Darrin, Banafsheh Karimian +5
Casting complex inputs into tractable representations is a critical step across various fields. Diverse embedding models emerge from differences in architectures, loss functions, i…
A Strong Baseline for Molecular Few-Shot Learning
Philippe Formont, Hugo Jeannin, Pablo Piantanida +1
Few-shot learning has recently attracted significant interest in drug discovery, with a recent, fast-growing literature mostly involving convoluted meta-learning strategies. We rev…
When is an Embedding Model More Promising than Another?
Maxime Darrin, Philippe Formont, Ismail Ben Ayed +2
Embedders play a central role in machine learning, projecting any object into numerical representations that can, in turn, be leveraged to perform various downstream tasks. The eva…