Portrait of Yoshua Bengio

Yoshua Bengio

Core Academic Member
Canada CIFAR AI Chair
Full Professor, Université de Montréal, Department of Computer Science and Operations Research Department
Founder and Scientific Advisor, Leadership Team
Research Topics
Causality
Computational Neuroscience
Deep Learning
Generative Models
Graph Neural Networks
Machine Learning Theory
Medical Machine Learning
Molecular Modeling
Natural Language Processing
Probabilistic Models
Reasoning
Recurrent Neural Networks
Reinforcement Learning
Representation Learning

Biography

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Yoshua Bengio is recognized worldwide as a leading expert in AI. He is most known for his pioneering work in deep learning, which earned him the 2018 A.M. Turing Award, “the Nobel Prize of computing,” with Geoffrey Hinton and Yann LeCun.

Bengio is a full professor at Université de Montréal, and the founder and scientific advisor of Mila – Quebec Artificial Intelligence Institute. He is also a senior fellow at CIFAR and co-directs its Learning in Machines & Brains program, serves as special advisor and founding scientific director of IVADO, and holds a Canada CIFAR AI Chair.

In 2019, Bengio was awarded the prestigious Killam Prize and in 2022, he was the most cited computer scientist in the world by h-index. He is a Fellow of the Royal Society of London, Fellow of the Royal Society of Canada, Knight of the Legion of Honor of France and Officer of the Order of Canada. In 2023, he was appointed to the UN’s Scientific Advisory Board for Independent Advice on Breakthroughs in Science and Technology.

Concerned about the social impact of AI, Bengio helped draft the Montréal Declaration for the Responsible Development of Artificial Intelligence and continues to raise awareness about the importance of mitigating the potentially catastrophic risks associated with future AI systems.

Current Students

Collaborating Alumni - McGill University
Collaborating Alumni - Université de Montréal
Collaborating researcher - Cambridge University
Principal supervisor :
PhD - Université de Montréal
Collaborating Alumni - Université du Québec à Rimouski
Independent visiting researcher
Co-supervisor :
PhD - Université de Montréal
Collaborating Alumni - UQAR
Collaborating researcher - N/A
Principal supervisor :
PhD - Université de Montréal
Collaborating researcher - KAIST
PhD - Université de Montréal
PhD - Université de Montréal
Collaborating Alumni - Université de Montréal
PhD - Université de Montréal
Co-supervisor :
PhD - Université de Montréal
PhD - Université de Montréal
PhD - Université de Montréal
Co-supervisor :
PhD - Université de Montréal
Research Intern - Université de Montréal
Research Intern - Université de Montréal
PhD - Université de Montréal
Master's Research - Université de Montréal
Co-supervisor :
Collaborating Alumni - Université de Montréal
Research Intern - Université de Montréal
Collaborating researcher - Université de Montréal
Collaborating Alumni - Université de Montréal
Collaborating Alumni - Université de Montréal
Postdoctorate - Université de Montréal
Principal supervisor :
Collaborating Alumni - Université de Montréal
Collaborating Alumni
Collaborating Alumni - Université de Montréal
Principal supervisor :
PhD - Université de Montréal
Collaborating Alumni - Université de Montréal
Collaborating Alumni - Université de Montréal
PhD - Université de Montréal
Co-supervisor :
Collaborating researcher - Université de Montréal
PhD - Université de Montréal
Principal supervisor :
PhD - Université de Montréal
Principal supervisor :
Postdoctorate - Université de Montréal
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Independent visiting researcher - Université de Montréal
PhD - Université de Montréal
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Collaborating researcher - Ying Wu Coll of Computing
PhD - University of Waterloo
Principal supervisor :
Collaborating Alumni - Max-Planck-Institute for Intelligent Systems
PhD - Université de Montréal
Postdoctorate - Université de Montréal
Independent visiting researcher - Université de Montréal
Postdoctorate - Université de Montréal
PhD - Université de Montréal
Principal supervisor :
Collaborating Alumni - Université de Montréal
Postdoctorate - Université de Montréal
Master's Research - Université de Montréal
Collaborating Alumni - Université de Montréal
Research Intern - Université de Montréal
Master's Research - Université de Montréal
Postdoctorate
Independent visiting researcher - Technical University of Munich
PhD - Université de Montréal
Co-supervisor :
Collaborating researcher - RWTH Aachen University (Rheinisch-Westfälische Technische Hochschule Aachen)
Principal supervisor :
Postdoctorate - Université de Montréal
Postdoctorate - Université de Montréal
Co-supervisor :
PhD - Université de Montréal
Principal supervisor :
Collaborating researcher - Université de Montréal
Collaborating Alumni - Université de Montréal
Collaborating researcher
Collaborating researcher - KAIST
PhD - McGill University
Principal supervisor :
PhD - Université de Montréal
Principal supervisor :
PhD - Université de Montréal
PhD - McGill University
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Publications

Local Search GFlowNets
Minsu Kim
Taeyoung Yun
Dinghuai Zhang
Sungsoo Ahn
Jinkyoo Park
Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their re… (see more)wards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle to consistently produce samples with high rewards due to over-exploration on wide sample space. This paper proposes to train GFlowNets with local search, which focuses on exploiting high-rewarded sample space to resolve this issue. Our main idea is to explore the local neighborhood via backtracking and reconstruction guided by backward and forward policies, respectively. This allows biasing the samples toward high-reward solutions, which is not possible for a typical GFlowNet solution generation scheme, which uses the forward policy to generate the solution from scratch. Extensive experiments demonstrate a remarkable performance improvement in several biochemical tasks. Source code is available: https://github.com/dbsxodud-11/ls_gfn.
Object centric architectures enable efficient causal representation learning
Amin Mansouri
Jason Hartford
Yan Zhang
Causal representation learning has showed a variety of settings in which we can disentangle latent variables with identifiability guarantees… (see more) (up to some reasonable equivalence class). Common to all of these approaches is the assumption that (1) the latent variables are represented as
PhyloGFN: Phylogenetic inference with generative flow networks
Ming Yang Zhou
Zichao Yan
Elliot Layne
Nikolay Malkin
Dinghuai Zhang
Moksh J. Jain
Pre-Training and Fine-Tuning Generative Flow Networks
Ling Pan
Moksh J. Jain
Kanika Madan
Generative Flow Networks (GFlowNets) are amortized samplers that learn stochastic policies to sequentially generate compositional objects fr… (see more)om a given unnormalized reward distribution. They can generate diverse sets of high-reward objects, which is an important consideration in scientific discovery tasks. However, as they are typically trained from a given extrinsic reward function, it remains an important open challenge about how to leverage the power of pre-training and train GFlowNets in an unsupervised fashion for efficient adaptation to downstream tasks. Inspired by recent successes of unsupervised pre-training in various domains, we introduce a novel approach for reward-free pre-training of GFlowNets. By framing the training as a self-supervised problem, we propose an outcome-conditioned GFlowNet (OC-GFN) that learns to explore the candidate space. Specifically, OC-GFN learns to reach any targeted outcomes, akin to goal-conditioned policies in reinforcement learning. We show that the pre-trained OC-GFN model can allow for a direct extraction of a policy capable of sampling from any new reward functions in downstream tasks. Nonetheless, adapting OC-GFN on a downstream task-specific reward involves an intractable marginalization over possible outcomes. We propose a novel way to approximate this marginalization by learning an amortized predictor enabling efficient fine-tuning. Extensive experimental results validate the efficacy of our approach, demonstrating the effectiveness of pre-training the OC-GFN, and its ability to swiftly adapt to downstream tasks and discover modes more efficiently. This work may serve as a foundation for further exploration of pre-training strategies in the context of GFlowNets.
Tree Cross Attention
Leo Feng
Frederick Tung
Hossein Hajimirsadeghi
Mohamed Osama Ahmed
Cross Attention is a popular method for retrieving information from a set of context tokens for making predictions. At inference time, for e… (see more)ach prediction, Cross Attention scans the full set of
On diffusion models for amortized inference: Benchmarking and improving stochastic control and sampling
Marcin Sendera
Minsu Kim
Sarthak Mittal
Pablo Lemos
Luca Scimeca
Jarrid Rector-Brooks
Alexandre Adam
Nikolay Malkin
We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We ben… (see more)chmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.
PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design
Alexandre AGM Duval
Victor Schmidt
Santiago Miret
Alex Hernandez-Garcia
Simulation-Free Schrödinger Bridges via Score and Flow Matching
Alexander Tong
Nikolay Malkin
Kilian FATRAS
Lazar Atanackovic
Yanlei Zhang
Guillaume Huguet
We present simulation-free score and flow matching ([SF]…
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
Alexandre AGM Duval
Simon V. Mathis
Chaitanya K. Joshi
Victor Schmidt
Santiago Miret
Fragkiskos D. Malliaros
Taco Cohen
Pietro Lio’
Michael M. Bronstein
Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graph… (see more)s with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes transform according to the inherent physical symmetries of 3D atomic systems, including rotations and translations in Euclidean space, as well as node permutations. In recent years, Geometric Graph Neural Networks have emerged as the preferred machine learning architecture powering applications ranging from protein structure prediction to molecular simulations and material generation. Their specificity lies in the inductive biases they leverage - such as physical symmetries and chemical properties - to learn informative representations of these geometric graphs. In this opinionated paper, we provide a comprehensive and self-contained overview of the field of Geometric GNNs for 3D atomic systems. We cover fundamental background material and introduce a pedagogical taxonomy of Geometric GNN architectures: (1) invariant networks, (2) equivariant networks in Cartesian basis, (3) equivariant networks in spherical basis, and (4) unconstrained networks. Additionally, we outline key datasets and application areas and suggest future research directions. The objective of this work is to present a structured perspective on the field, making it accessible to newcomers and aiding practitioners in gaining an intuition for its mathematical abstractions.
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
Alexandre AGM Duval
Simon V. Mathis
Chaitanya K. Joshi
Victor Schmidt
Santiago Miret
Fragkiskos D. Malliaros
Taco Cohen
Pietro Lio’
Michael M. Bronstein
Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graph… (see more)s with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes transform according to the inherent physical symmetries of 3D atomic systems, including rotations and translations in Euclidean space, as well as node permutations. In recent years, Geometric Graph Neural Networks have emerged as the preferred machine learning architecture powering applications ranging from protein structure prediction to molecular simulations and material generation. Their specificity lies in the inductive biases they leverage - such as physical symmetries and chemical properties - to learn informative representations of these geometric graphs. In this opinionated paper, we provide a comprehensive and self-contained overview of the field of Geometric GNNs for 3D atomic systems. We cover fundamental background material and introduce a pedagogical taxonomy of Geometric GNN architectures: (1) invariant networks, (2) equivariant networks in Cartesian basis, (3) equivariant networks in spherical basis, and (4) unconstrained networks. Additionally, we outline key datasets and application areas and suggest future research directions. The objective of this work is to present a structured perspective on the field, making it accessible to newcomers and aiding practitioners in gaining an intuition for its mathematical abstractions.
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
Alexandre AGM Duval
Simon V. Mathis
Chaitanya K. Joshi
Victor Schmidt
Santiago Miret
Fragkiskos D. Malliaros
Taco Cohen
Pietro Lio’
Michael M. Bronstein
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
Alexandre AGM Duval
Simon V. Mathis
Chaitanya K. Joshi
Victor Schmidt
Santiago Miret
Fragkiskos D. Malliaros
Taco Cohen
Pietro Lio’
Michael M. Bronstein
Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graph… (see more)s with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes transform according to the inherent physical symmetries of 3D atomic systems, including rotations and translations in Euclidean space, as well as node permutations. In recent years, Geometric Graph Neural Networks have emerged as the preferred machine learning architecture powering applications ranging from protein structure prediction to molecular simulations and material generation. Their specificity lies in the inductive biases they leverage - such as physical symmetries and chemical properties - to learn informative representations of these geometric graphs. In this opinionated paper, we provide a comprehensive and self-contained overview of the field of Geometric GNNs for 3D atomic systems. We cover fundamental background material and introduce a pedagogical taxonomy of Geometric GNN architectures: (1) invariant networks, (2) equivariant networks in Cartesian basis, (3) equivariant networks in spherical basis, and (4) unconstrained networks. Additionally, we outline key datasets and application areas and suggest future research directions. The objective of this work is to present a structured perspective on the field, making it accessible to newcomers and aiding practitioners in gaining an intuition for its mathematical abstractions.