Guy Wolf

Joao Felipe Carneiro Barbosa Rocha

Google Scholar

Biographie

Guy Wolf est professeur agrégé au Département de mathématiques et de statistique de l'Université de Montréal. Ses intérêts de recherche se situent au carrefour de l'apprentissage automatique, de la science des données et des mathématiques appliquées. Il s'intéresse particulièrement aux méthodes d'exploration de données qui utilisent l'apprentissage multiple et l'apprentissage géométrique profond, ainsi qu'aux applications pour l'analyse exploratoire des données biomédicales.

Ses recherches portent sur l'analyse exploratoire des données, avec des applications en bio-informatique. Ses approches sont multidisciplinaires et combinent l'apprentissage automatique, le traitement du signal et les outils mathématiques appliqués. En particulier, ses travaux récents utilisent une combinaison de géométries de diffusion et d'apprentissage profond pour trouver des modèles émergents, des dynamiques et des structures dans les mégadonnées à grande dimension (par exemple, dans la génomique et la protéomique de la cellule unique).

Étudiants actuels

Doctorat - UdeM

Doctorat - UdeM

Collaborateur·rice de recherche - Yale University

Co-superviseur⋅e :

Collaborateur·rice alumni

Doctorat - UdeM

Xiao Huang

Maîtrise recherche - Concordia

Superviseur⋅e principal⋅e :

Doctorat - UdeM

Paul Janson

Doctorat - Concordia

Superviseur⋅e principal⋅e :

Doctorat - UdeM

Doctorat - UdeM

Co-superviseur⋅e :

Paul François

Paria Mehrbod

Maîtrise recherche - Concordia

Superviseur⋅e principal⋅e :

Eugene Belilovsky

Lydia Mezrag

Doctorat - UdeM

Kevin Moon

Collaborateur·rice de recherche

Github

Google Scholar

Sacha Morin

Doctorat - UdeM

Co-superviseur⋅e :

Postdoctorat - Concordia

Superviseur⋅e principal⋅e :

Shuang Ni

Doctorat - UdeM

Github

Albert Orozco Camacho

Doctorat - Concordia

Superviseur⋅e principal⋅e :

Maîtrise recherche - UdeM

Matthew Scicluna

Doctorat - UdeM

Superviseur⋅e principal⋅e :

Doctorat - UdeM

Maîtrise recherche - UdeM

Jesuino Vieira Filho

Maîtrise recherche - UdeM

Postdoctorat - UdeM

Co-superviseur⋅e :

Collaborateur·rice de recherche - McGill (assistant professor)

Analyser le paradoxe des interférons inhérent à la COVID-19 au moyen de la réduction de la dimensionnalité et du regroupement

Google Scholar

Billets de blogue

Graph and representation of working methodology, and graph of data on deaths 60 days after onset of symptoms.

19 février 2025

par

Sacha Morin

Elsa Brunet-Ratnasingham

Guy Wolf

Lire l'article

Publications

Forest-Guided Semantic Transport for Label-Supervised Manifold Alignment

Adrien Aumon

Myriam Lizotte

Kevin R. Moon

Jake S. Rhodes

2026-01-31

ArXiv (prépublication)

GraIP: A Benchmarking Framework For Neural Graph Inverse Problems

Semih Cantürk

Andrei Manolache

Arman Mielke

Chendi Qian

Antoine Siraudin

Christopher Morris

Mathias Niepert

A wide range of graph learning tasks, such as structure discovery, temporal graph analysis, and combinatorial optimization, focus on inferri… (voir plus)ng graph structures from data, rather than making predictions on given graphs. However, the respective methods to solve such problems are often developed in an isolated, task-specific manner and thus lack a unifying theoretical foundation. Here, we provide a stepping stone towards the formation of such a foundation and further development by introducing the Neural Graph Inverse Problem (GraIP) conceptual framework, which formalizes and reframes a broad class of graph learning tasks as inverse problems. Unlike discriminative approaches that directly predict target variables from given graph inputs, the GraIP paradigm addresses inverse problems, i.e., it relies on observational data and aims to recover the underlying graph structure by reversing the forward process, such as message passing or network dynamics, that produced the observed outputs. We demonstrate the versatility of GraIP across various graph learning tasks, including rewiring, causal discovery, and neural relational inference. We also propose benchmark datasets and metrics for each GraIP domain considered, and characterize and empirically evaluate existing baseline methods used to solve them. Overall, our unifying perspective bridges seemingly disparate applications and provides a principled approach to structural learning in constrained and combinatorial settings while encouraging cross-pollination of existing methods across graph inverse problems.

2026-01-25

ArXiv (prépublication)

Scalable Tree Ensemble Proximities in Python

Adrien Aumon

Kevin R. Moon

Jake S. Rhodes

2025-12-31

arXiv (publié)

Geometry-Aware Edge Pooling for Graph Neural Networks

Katharina Limbeck

Lydia Mezrag

Bastian Rieck

Graph Neural Networks (GNNs) have shown significant success for graph-based tasks. Motivated by the prevalence of large datasets in real-wor… (voir plus)ld applications, pooling layers are crucial components of GNNs. By reducing the size of input graphs, pooling enables faster training and potentially better generalisation. However, existing pooling operations often optimise for the learning task at the expense of discarding fundamental graph structures, thus reducing interpretability. This leads to unreliable performance across dataset types, downstream tasks and pooling ratios. Addressing these concerns, we propose novel graph pooling layers for structure-aware pooling via edge collapses. Our methods leverage diffusion geometry and iteratively reduce a graph's size while preserving both its metric structure and its structural diversity. We guide pooling using magnitude, an isometry-invariant diversity measure, which permits us to control the fidelity of the pooling process. Further, we use the spread of a metric space as a faster and more stable alternative ensuring computational efficiency. Empirical results demonstrate that our methods (i) achieve top performance compared to alternative pooling layers across a range of diverse graph classification tasks, (ii) preserve key spectral properties of the input graphs, and (iii) retain high accuracy across varying pooling ratios.

2025-12-02

Conference on Neural Information Processing Systems (Accept (poster))

Freeze, Diffuse, Decode: Geometry-Aware Adaptation of Pretrained Transformer Embeddings for Antimicrobial Peptide Design

Pankhil Gawade

Adam Izdebski

Myriam Lizotte

Kevin R. Moon

Jake S. Rhodes

Ewa Szczurek

2025-11-27

ArXiv (prépublication)

Graph topological property recovery with heat and wave dynamics-based features on graphs

Dhananjay Bhaskar

Yanlei Zhang

Charles Xu

Xingzhi Sun

Oluwadamilola Fasina

Arman Afrasiyabi

Siddharth Viswanath

Maximilian Nickel

Michael Perlmutter

Smita Krishnaswamy

2025-11-12

TAG-DS/2025/Conference (spotlight)

Random Forest Autoencoders for Guided Representation Learning

Kevin R. Moon

Jake S. Rhodes

Extensive research has produced robust methods for unsupervised data visualization. Yet supervised visualization…

2025-10-21

logconference.io/LOG/2025/Conference (poster)

Leveraging Parameter Space Symmetries for Reasoning Skill Transfer in LLMs

Stefan Horoi

Sangwoo Cho

Supriyo Chakraborty

Shi-Xiong Zhang

Sambit Sahu

Genta Indra Winata

2025-09-22

NeurIPS.cc/2025/Workshop/UniReps (publié)

César Miguel Valdez Cordova

Measure Before You Look: Grounding Embeddings Through Manifold Metrics

Simon Gravel

2025-09-22

NeurIPS.cc/2025/Workshop/UniReps (publié)

Retro SynFlow: Discrete Flow Matching for Accurate and Diverse Single-Step Retrosynthesis

Robin Yadav

Qi Yan

Avishek Joey Bose

Renjie Liao

A fundamental problem in organic chemistry is identifying and predicting the series of reactions that synthesize a desired target product mo… (voir plus)lecule. Due to the combinatorial nature of the chemical search space, single-step reactant prediction -- i.e. single-step retrosynthesis -- remains challenging even for existing state-of-the-art template-free generative approaches to produce an accurate yet diverse set of feasible reactions. In this paper, we model single-step retrosynthesis planning and introduce RETRO SYNFLOW (RSF) a discrete flow-matching framework that builds a Markov bridge between the prescribed target product molecule and the reactant molecule. In contrast to past approaches, RSF employs a reaction center identification step to produce intermediate structures known as synthons as a more informative source distribution for the discrete flow. To further enhance diversity and feasibility of generated samples, we employ Feynman-Kac steering with Sequential Monte Carlo based resampling to steer promising generations at inference using a new reward oracle that relies on a forward-synthesis model. Empirically, we demonstrate \nameshort achieves

2025-09-17

NeurIPS.cc/2025/Conference (poster)

Low-dimensional embeddings of high-dimensional data

Cyril de Bodt

Alex Diaz-Papkovich

Michael Bleher

Kerstin Bunte

Corinna Coupette

Sebastian Damrich

Enrique Fita Sanmartin

Fred Hamprecht

EmHoke-'Agnes Horv'at

Dhruv Kohli

Smita Krishnaswamy

John A. Lee 0001

Boudewijn P. F. Lelieveldt

Leland McInnes

Ian T. Nabney

Maximilian Noichl

Pavlin G. Polivcar

Bastian Rieck

Gal Mishne … (voir 1 de plus)

Dmitry Kobak

Large collections of high-dimensional data have become nearly ubiquitous across many academic fields and application domains, ranging from b… (voir plus)iology to the humanities. Since working directly with high-dimensional data poses challenges, the demand for algorithms that create low-dimensional representations, or embeddings, for data visualization, exploration, and analysis is now greater than ever. In recent years, numerous embedding algorithms have been developed, and their usage has become widespread in research and industry. This surge of interest has resulted in a large and fragmented research field that faces technical challenges alongside fundamental debates, and it has left practitioners without clear guidance on how to effectively employ existing methods. Aiming to increase coherence and facilitate future work, in this review we provide a detailed and critical overview of recent developments, derive a list of best practices for creating and using low-dimensional embeddings, evaluate popular approaches on a variety of datasets, and discuss the remaining challenges and open problems in the field.

2025-08-20

ArXiv (prépublication)