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Albert Bou

dblp:269/9440 · DBLP profile ↗
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2ranked-venue papers
1as first author
2since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 2 · 1 first-author · 2 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
2 papers
Language models and text generation · 70% Reinforcement learning · 30%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 50% Bioinformatics and computational biology · 50%

Topics — the 5 heaviest of 6, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Natural language and speech › Language models and text generation › large language model
reasoning model
0.912025
Training a Scientific Reasoning Model for Chemistry · NeurIPS 2025
Natural language and speech › Language models and text generation › complex reasoning
scientific reasoning
0.912025
Training a Scientific Reasoning Model for Chemistry · NeurIPS 2025
Computational science and engineering
chemistry
0.912025
Training a Scientific Reasoning Model for Chemistry · NeurIPS 2025
Bioinformatics and computational biology › molecular informatics › cheminformatics › molecule generation
molecular structure generation
0.912025
Training a Scientific Reasoning Model for Chemistry · NeurIPS 2025
Machine learning › Reinforcement learning
reinforcement learning library
0.812024
TorchRL: A data-driven decision-making library for PyTorch · ICLR 2024

Methods — techniques the papers use, named apart from their topics

reinforcement learning · 1.7post-training · 1.7tensordict · 0.8
YearPublicationVenuePosition
2025 Training a Scientific Reasoning Model for Chemistry
abstract
Reasoning models are large language models that use extra "thought tokens" before answering, providing both higher accuracy and explicit reasoning for their response. A major question has been whether language model reasoning generalizes beyond mathematics, programming, and logic, where most previous work has focused. We demonstrate that reasoning models can be post-trained in scientific domains without additional domain pretraining, and require substantially less data compared to contemporary domain-specific models. We report ether0, a 24B parameter LLM (based on Mistral-Small-24B) that can reason in natural language and respond with chemical structures. This reasoning model was trained with reinforcement learning on 577,790 experimentally-grounded chemistry tasks involving synthesized organic molecules. Our model outperforms all previous general-purpose chemistry models, frontier models, and humans, and is more data efficient relative to specialized models. We anticipate that this method can be applied to train highly data-efficient language models specialized for predictive and generative tasks across a wide variety of scientific domains.
Siddharth Narayanan, James D. Braza, Ryan-Rhys Griffiths, Albert Bou, Geemi P. Wellawatte, Mayk Caldas Ramos, Ludovico Mitchener, Michael Pieler, Samuel G. Rodriques, Andrew D. White
NeurIPS4
2024 TorchRL: A data-driven decision-making library for PyTorch
abstract
PyTorch has ascended as a premier machine learning framework, yet it lacks a native and comprehensive library for decision and control tasks suitable for large development teams dealing with complex real-world data and environments. To address this issue, we propose TorchRL, a generalistic control library for PyTorch that provides well-integrated, yet standalone components. We introduce a new and flexible PyTorch primitive, the TensorDict, which facilitates streamlined algorithm development across the many branches of Reinforcement Learning (RL) and control. We provide a detailed description of the building blocks and an extensive overview of the library across domains and tasks. Finally, we experimentally demonstrate its reliability and flexibility, and show comparative benchmarks to demonstrate its computational efficiency. TorchRL fosters long-term support and is publicly available on GitHub for greater reproducibility and collaboration within the research community. The code is open-sourced on GitHub.
Albert Bou, Matteo Bettini, Sebastian Dittert, Shagun Sodhani, Gianni De Fabritiis, Vincent Moens
ICLR1