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Philippe Formont

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3 papers

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TMLR Journal 2025 Journal Article

A Strong Baseline for Molecular Few-Shot Learning

Philippe Formont
Hugo Jeannin
Pablo Piantanida
Ismail Ben Ayed

Few-shot learning has recently attracted significant interest in drug discovery, with a recent, fast-growing literature mostly involving convoluted meta-learning strategies. We revisit the more straightforward fine-tuning approach for molecular data, and propose a regularized quadratic-probe loss based on the the Mahalanobis distance. We design a dedicated block-coordinate descent optimizer, which avoid the degenerate solutions of our loss. Interestingly, our simple fine-tuning approach achieves highly competitive performances in comparison to state-of-the-art methods, while being applicable to black-box settings and removing the need for specific episodic pre-training strategies. Furthermore, we introduce a new benchmark to assess the robustness of the competing methods to domain shifts. In this setting, our fine-tuning baseline obtains consistently better results than meta-learning methods.

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NeurIPS Conference 2025 Conference Paper

Learning Task-Agnostic Representations through Multi-Teacher Distillation

Philippe Formont
Maxime Darrin
Banafsheh Karimian
Eric Granger
Jackie CK Cheung
Ismail Ayed
Mohammadhadi Shateri
Pablo Piantanida

Casting complex inputs into tractable representations is a critical step across various fields. Diverse embedding models emerge from differences in architectures, loss functions, input modalities and datasets, each capturing unique aspects of the input. Multi-teacher distillation leverages this diversity to enrich representations but often remains tailored to specific tasks. We introduce a task-agnostic framework based on a ``majority vote" objective function. We demonstrate that this function is bounded by the mutual information between the student and the teachers' embeddings, leading to a task-agnostic distillation loss that eliminates dependence on task-specific labels or prior knowledge. Comprehensive evaluations across text, vision models, and molecular modeling show that our method effectively leverages teacher diversity, resulting in representations enabling better performance for a wide range of downstream tasks such as classification, clustering, or regression. Additionally, we train and release state-of-the-art embedding models, enhancing downstream performance in various modalities.

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NeurIPS Conference 2024 Conference Paper

When is an Embedding Model More Promising than Another?

Maxime Darrin
Philippe Formont
Ismail B. Ayed
Jackie C. CHEUNG
Pablo Piantanida

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 evaluation of embedding models typically depends on domain-specific empirical approaches utilizing downstream tasks, primarily because of the lack of a standardized framework for comparison. However, acquiring adequately large and representative datasets for conducting these assessments is not always viable and can prove to be prohibitively expensive and time-consuming. In this paper, we present a unified approach to evaluate embedders. First, we establish theoretical foundations for comparing embedding models, drawing upon the concepts of sufficiency and informativeness. We then leverage these concepts to devise a tractable comparison criterion (information sufficiency), leading to a task-agnostic and self-supervised ranking procedure. We demonstrate experimentally that our approach aligns closely with the capability of embedding models to facilitate various downstream tasks in both natural language processing and molecular biology. This effectively offers practitioners a valuable tool for prioritizing model trials.

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