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Dimitrios Christofidellis

dblp:281/8575 · DBLP profile ↗
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1ranked-venue papers
1as first author
1since 2021 · last 2023
—ORCID · none

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

Artificial intelligence and machine learning · 1 · 1 first-author · 1 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
1 paper
Learning paradigms · 100%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 3 heaviest of 4, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Learning paradigms › multi-task learning
multi-task language model
0.712023
Unifying Molecular and Textual Representations via Multi-task Language Modelling · ICML 2023
Bioinformatics and computational biology › molecular informatics
cheminformatics
0.212023
Unifying Molecular and Textual Representations via Multi-task Language Modelling · ICML 2023
Bioinformatics and computational biology › molecular informatics › cheminformatics
molecular representation
0.212023
Unifying Molecular and Textual Representations via Multi-task Language Modelling · ICML 2023

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

multi-task learning · 1.3language modelling · 1.3
YearPublicationVenuePosition
2023 Unifying Molecular and Textual Representations via Multi-task Language Modelling
abstract
The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose the first multi-domain, multi-task language model that can solve a wide range of tasks in both the chemical and natural language domains. Our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.
Dimitrios Christofidellis, Giorgio Giannone, Jannis Born, Ole Winther, Teodoro Laino, Matteo Manica
ICML1