Guy Wolf

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

Ria Arora

Maîtrise recherche - UdeM

Co-superviseur⋅e :

Doctorat - UdeM

Doctorat - UdeM

Collaborateur·rice alumni

Enrique Fita Sanmartin

Collaborateur·rice alumni - UdeM

Doctorat - UdeM

Will Hua

Collaborateur·rice alumni - McGill

Xiaolong Huang

Maîtrise recherche - Concordia

Superviseur⋅e principal⋅e :

Doctorat - UdeM

Paul Janson

Doctorat - Concordia

Superviseur⋅e principal⋅e :

Charles-Etienne Joseph

Maîtrise recherche - UdeM

Superviseur⋅e principal⋅e :

Eugene Belilovsky

M. Elyes Kanoun

Stagiaire de recherche - UdeM

Vincent Létourneau

Collaborateur·rice alumni - UdeM

Myriam Lizotte

Doctorat - UdeM

Philippe Martin

Doctorat - UdeM

Co-superviseur⋅e :

Paul François

Paria Mehrbod

Maîtrise recherche - Concordia

Superviseur⋅e principal⋅e :

Eugene Belilovsky

Lydia Mezrag

Doctorat - UdeM

Kevin Moon

Visiteur de recherche indépendant

Sacha Morin

Doctorat - UdeM

Co-superviseur⋅e :

Postdoctorat - Concordia

Superviseur⋅e principal⋅e :

Shuang Ni

Doctorat - UdeM

Albert Orozco Camacho

Doctorat - Concordia

Superviseur⋅e principal⋅e :

Maîtrise recherche - UdeM

Matthew Scicluna

Doctorat - UdeM

Superviseur⋅e principal⋅e :

Maîtrise recherche - UdeM

Pedro Vianna

Collaborateur·rice de recherche - UdeM

Co-superviseur⋅e :

Doctorat - UdeM

Postdoctorat - UdeM

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

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

Neural networks with optimized single-neuron adaptation uncover biologically plausible regularization

Victor Geadah

Stefan Horoi

Giancarlo Kerg

Guillaume Lajoie

Neurons in the brain have rich and adaptive input-output properties. Features such as heterogeneous f-I curves and spike frequency adaptatio… (voir plus)n are known to place single neurons in optimal coding regimes when facing changing stimuli. Yet, it is still unclear how brain circuits exploit single-neuron flexibility, and how network-level requirements may have shaped such cellular function. To answer this question, a multi-scaled approach is needed where the computations of single neurons and neural circuits must be considered as a complete system. In this work, we use artificial neural networks to systematically investigate single-neuron input-output adaptive mechanisms, optimized in an end-to-end fashion. Throughout the optimization process, each neuron has the liberty to modify its nonlinear activation function, parametrized to mimic f-I curves of biological neurons, and to learn adaptation strategies to modify activation functions in real-time during a task. We find that such networks show much-improved robustness to noise and changes in input statistics. Importantly, we find that this procedure recovers precise coding strategies found in biological neurons, such as gain scaling and fractional order differentiation/integration. Using tools from dynamical systems theory, we analyze the role of these emergent single-neuron properties and argue that neural diversity and adaptation play an active regularization role, enabling neural circuits to optimally propagate information across time.

2024-12-13

PLOS Computational Biology (publié)

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua

Yong Liu

Odin Zhang

Rex Ying

Wengong Jin

Shuangjia Zheng

The introduction of models like RFDiffusionAA, AlphaFold3, AlphaProteo, and Chai1 has revolutionized protein structure modeling and interact… (voir plus)ion prediction, primarily from a binding perspective, focusing on creating ideal lock-and-key models. However, these methods can fall short for enzyme-substrate interactions, where perfect binding models are rare, and induced fit states are more common. To address this, we shift to a functional perspective for enzyme design, where the enzyme function is defined by the reaction it catalyzes. Here, we introduce \textsc{GENzyme}, a \textit{de novo} enzyme design model that takes a catalytic reaction as input and generates the catalytic pocket, full enzyme structure, and enzyme-substrate binding complex. \textsc{GENzyme} is an end-to-end, three-staged model that integrates (1) a catalytic pocket generation and sequence co-design module, (2) a pocket inpainting and enzyme inverse folding module, and (3) a binding and screening module to optimize and predict enzyme-substrate complexes. The entire design process is driven by the catalytic reaction being targeted. This reaction-first approach allows for more accurate and biologically relevant enzyme design, potentially surpassing structure-based and binding-focused models in creating enzymes capable of catalyzing specific reactions. We provide \textsc{GENzyme} code at https://github.com/WillHua127/GENzyme.

2024-11-10

ArXiv (prépublication)

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua

Yong Liu

Odin Zhang

Rex Ying

Wengong Jin

Shuangjia Zheng

2024-11-10

ArXiv (prépublication)

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua

Yong Liu

Odin Zhang

Rex Ying

Wengong Jin

Shuangjia Zheng

2024-11-10

ArXiv (prépublication)

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua

Yong Liu

Odin Zhang

Rex Ying

Wengong Jin

Shuangjia Zheng

2024-11-10

ArXiv (prépublication)

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua

Yong Liu

Odin Zhang

Rex Ying

Wengong Jin

Shuangjia Zheng

2024-11-10

ArXiv (prépublication)

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua

Yang Liu

Odin Zhang

Rex Ying

Wengong Jin

Shuangjia Zheng

2024-11-10

ArXiv (prépublication)

Effective Protein-Protein Interaction Exploration with PPIretrieval

Chenqing Hua

Connor W. Coley

Shuangjia Zheng

2024-10-13

NeurIPS.cc/2024/Workshop/AIDrugX (poster)

EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics

Chenqing Hua

Yang Liu

Odin Zhang

Kevin K Yang

Shuangjia Zheng

2024-10-13

NeurIPS.cc/2024/Workshop/AIDrugX (poster)

Neuro-GSTH: A Geometric Scattering and Persistent Homology Framework for Uncovering Spatiotemporal Signatures in Neural Activity

Dhananjay Bhaskar

Jessica Moore

Yanlei Zhang

Feng Gao

Bastian Rieck

Helen Pushkarskaya

Firas Khasawneh

Elizabeth Munch

Valentina Greco

Christopher Pittenger

Smita Krishnaswamy

2024-10-13

bioRxiv (prépublication)

Learning Stochastic Rainbow Networks

Vivian White

Muawiz Sajjad Chaudhary

Guillaume Lajoie

Kameron Decker Harris

Random feature models are a popular approach for studying network learning that can capture important behaviors while remaining simpler than… (voir plus) traditional training. Guth et al. [2024] introduced “rainbow” networks which model the distribution of trained weights as correlated random features conditioned on previous layer activity. Sampling new weights from distributions fit to learned networks led to similar performance in entirely untrained networks, and the observed weight covariance were found to be low rank. This provided evidence that random feature models could be extended to some networks away from initialization, but White et al. [2024] failed to replicate their results in the deeper ResNet18 architecture. Here we ask whether the rainbow formulation can succeed in deeper networks by directly training a stochastic ensemble of random features, which we call stochastic rainbow networks. At every gradient descent iteration, new weights are sampled for all intermediate layers and features aligned layer-wise. We find: (1) this approach scales to deeper models, which outperform shallow networks at large widths; (2) ensembling multiple samples from the stochastic model is better than retraining the classifier head; and (3) low-rank parameterization of the learnable weight covariances can approach the accuracy of full-rank networks. This offers more evidence for rainbow and other structured random feature networks as reduced models of deep learning.

2024-10-10

NeurIPS.cc/2024/Workshop/SciForDL (poster)

Reactzyme: A Benchmark for Enzyme-Reaction Prediction

Chenqing Hua

Bozitao Zhong

Sitao Luan

Liang Hong

Shuangjia Zheng

2024-09-26

NeurIPS.cc/2024/Datasets_and_Benchmarks_Track (poster)