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

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

Jamal Abou Haibeh

Collaborating Alumni - McGill University

jamal.abouhaibeh@mila.quebec

Collaborating researcher - Cambridge University

Principal supervisor :

berkes.anais@mila.quebec

PhD - Université de Montréal

assouelr@mila.quebec

Shahana Chatterjee

Collaborating researcher - N/A

Principal supervisor :

shahana.chatterjee@mila.quebec

PhD - Université de Montréal

xiaoyin.chen@mila.quebec

Collaborating researcher - KAIST

sanghyeok.choi@mila.quebec

Aniket Didolkar

PhD - Université de Montréal

aniket.didolkar@mila.quebec

Desmond Elliott

Independent visiting researcher

Principal supervisor :

desmond.elliott@mila.quebec

PhD - Université de Montréal

Co-supervisor :

Guillaume Lajoie

eric.elmoznino@mila.quebec

PhD - Université de Montréal

lena-nehale.ezzine@mila.quebec

Jean-Pierre Falet

PhD - Université de Montréal

jean-pierre.falet@mila.quebec

PhD

pietro.greiner@mila.quebec

PhD - Université de Montréal

mohsin.hasan@mila.quebec

PhD - Université de Montréal

moksh.jain@mila.quebec

Thomas Jiralerspong

PhD - Université de Montréal

Principal supervisor :

Guillaume Lajoie

thomas.jiralerspong@mila.quebec

Younesse Kaddar

Collaborating Alumni - Université de Montréal

younesse.kaddar@mila.quebec

Postdoctorate - Université de Montréal

Principal supervisor :

Alex Hernández-García

hyeonah.kim@mila.quebec

Collaborating researcher - Université de Montréal

minsu.kim@mila.quebec

Tabitha Edith Lee

Postdoctorate - Université de Montréal

Principal supervisor :

tabitha-edith.lee@mila.quebec

Research Intern - KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY

jeongjae.lee@mila.quebec

Collaborating researcher - s.o.

liusong299@gmail.com

Collaborating researcher

liucheng@mila.quebec

Cristian Dragos Manta

PhD - Université de Montréal

Co-supervisor :

cristian-dragos.manta@mila.quebec

PhD - Université de Montréal

Principal supervisor :

Guillaume Lajoie

mittalsa@mila.quebec

Independent visiting researcher - Université de Montréal

nguyenph@mila.quebec

PhD - Université de Montréal

Principal supervisor :

padideh.nouri@mila.quebec

Collaborating researcher - Ying Wu Coll of Computing

ali.parviz@mila.quebec

Collaborating researcher - University of Waterloo

Principal supervisor :

elena.podina@mila.quebec

Jarrid Rector-Brooks

PhD - Université de Montréal

jarrid.rector-brooks@mila.quebec

Postdoctorate - Université de Montréal

danyal.rehman@mila.quebec

Postdoctorate - Université de Montréal

oliver.richardson@mila.quebec

Camille Rochefort-Boulanger

PhD - Université de Montréal

Principal supervisor :

rochefoc@mila.quebec

Postdoctorate

Co-supervisor :

Alex Hernández-García

divya.sharma@mila.quebec

Mélisande Astrid Crystal Teng

Collaborating Alumni - Université de Montréal

Co-supervisor :

Hugo Larochelle

tengmeli@mila.quebec

Collaborating Alumni - Université de Montréal

alexander.tong@mila.quebec

Collaborating researcher - University of Cambridge

oszkar.urban@mila.quebec

Collaborating Alumni - Université de Montréal

Co-supervisor :

donna.vakalis@mila.quebec

Siddarth Venkatraman

PhD - Université de Montréal

Principal supervisor :

siddarth.venkatraman@mila.quebec

Esmeralda Whitammer

Collaborating researcher - Université de Montréal

esmeralda.whitammer@mila.quebec

Collaborating Alumni

omar.younis@mila.quebec

Collaborating researcher - Université de Montréal

taeyoung.yun@mila.quebec

PhD - McGill University

Principal supervisor :

Mathieu Blanchette

xi.zhang@mila.quebec

PhD - Université de Montréal

tianyu.zhang@mila.quebec

Collaborating Alumni - McGill University

Principal supervisor :

zhaoming@mila.quebec

Blog Posts

Generic thumbnail for Mila Blog articles.

February 22, 2024

Skipper: Combining Spatial and Temporal Abstraction for Better Generalization

by

Mingde Harry Zhao

Safa Alver

Harm van Seijen

Romain Laroche

Read the article

Scaling in the service of reasoning & model-based ML

April 4, 2023

Scaling in the Service of Reasoning & Model-Based ML

by

Read the article

A collaboration between Mila and Relation Therapeutics to discover novel synergistic combinations of drugs in vitro

March 23, 2022

A collaboration between Mila and Relation Therapeutics to discover novel synergistic combinations of drugs in vitro

by

Jake P. Taylor-King

Read the article

Generative Flow Networks

March 15, 2022

Generative Flow Networks

by

Read the article

Publications

Consciousness-Inspired Spatio-Temporal Abstractions for Better Generalization in Reinforcement Learning

Mingde Zhao

Harm van Seijen

Romain Laroche

Inspired by human conscious planning, we propose Skipper, a model-based reinforcement learning framework utilizing spatio-temporal abstracti… (see more)ons to generalize better in novel situations. It automatically decomposes the given task into smaller, more manageable subtasks, and thus enables sparse decision-making and focused computation on the relevant parts of the environment. The decomposition relies on the extraction of an abstracted proxy problem represented as a directed graph, in which vertices and edges are learned end-to-end from hindsight. Our theoretical analyses provide performance guarantees under appropriate assumptions and establish where our approach is expected to be helpful. Generalization-focused experiments validate Skipper's significant advantage in zero-shot generalization, compared to some existing state-of-the-art hierarchical planning methods.

2024-01-15

International Conference on Learning Representations (poster)

Cycle Consistency Driven Object Discovery

Aniket Didolkar

Developing deep learning models that effectively learn object-centric representations, akin to human cognition, remains a challenging task. … (see more)Existing approaches facilitate object discovery by representing objects as fixed-size vectors, called ``slots'' or ``object files''. While these approaches have shown promise in certain scenarios, they still exhibit certain limitations. First, they rely on architectural priors which can be unreliable and usually require meticulous engineering to identify the correct objects. Second, there has been a notable gap in investigating the practical utility of these representations in downstream tasks. To address the first limitation, we introduce a method that explicitly optimizes the constraint that each object in a scene should be associated with a distinct slot. We formalize this constraint by introducing consistency objectives which are cyclic in nature. By integrating these consistency objectives into various existing slot-based object-centric methods, we showcase substantial improvements in object-discovery performance. These enhancements consistently hold true across both synthetic and real-world scenes, underscoring the effectiveness and adaptability of the proposed approach. To tackle the second limitation, we apply the learned object-centric representations from the proposed method to two downstream reinforcement learning tasks, demonstrating considerable performance enhancements compared to conventional slot-based and monolithic representation learning methods. Our results suggest that the proposed approach not only improves object discovery, but also provides richer features for downstream tasks.

2024-01-15

ICLR.cc/2024/Conference (poster)

Delta-AI: Local Objectives for Amortized Inference in Sparse Graphical Models

Jean-Pierre Falet

Hae Beom Lee

Nikolay Malkin

Chen Sun

Dragos Secrieru

Guillaume Lajoie

We present a new algorithm for amortized inference in sparse probabilistic graphical models (PGMs), which we call …

2024-01-15

ICLR.cc/2024/Conference (poster)

Diffusion Generative Flow Samplers: Improving Learning Signals Through Partial Trajectory Optimization

Ricky T. Q. Chen

Cheng-Hao Liu

Aaron Courville

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine lear… (see more)ning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

2024-01-15

ICLR.cc/2024/Conference (poster)

Expected Flow Networks in Stochastic Environments and Two-Player Zero-Sum Games

Marco Jiralerspong

Bilun Sun

Nikolay Malkin

Generative flow networks (GFlowNets) are sequential sampling models trained to match a given distribution. GFlowNets have been successfully … (see more)applied to various structured object generation tasks, sampling a diverse set of high-reward objects quickly. We propose expected flow networks (EFlowNets), which extend GFlowNets to stochastic environments. We show that EFlowNets outperform other GFlowNet formulations in stochastic tasks such as protein design. We then extend the concept of EFlowNets to adversarial environments, proposing adversarial flow networks (AFlowNets) for two-player zero-sum games. We show that AFlowNets learn to find above 80% of optimal moves in Connect-4 via self-play and outperform AlphaZero in tournaments.

2024-01-15

ICLR.cc/2024/Conference (poster)

Object-Centric Architectures Enable Efficient Causal Representation Learning

Jason Hartford

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

2024-01-15

ICLR.cc/2024/Conference (poster)

PhyloGFN: Phylogenetic Inference with Generative Flow Networks

Mingyang Zhou

Nikolay Malkin

Mathieu Blanchette

Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities. Its long history a… (see more)nd numerous applications notwithstanding, inference of phylogenetic trees from sequence data remains challenging: the high complexity of tree space poses a significant obstacle for the current combinatorial and probabilistic techniques. In this paper, we adopt the framework of generative flow networks (GFlowNets) to tackle two core problems in phylogenetics: parsimony-based and Bayesian phylogenetic inference. Because GFlowNets are well-suited for sampling complex combinatorial structures, they are a natural choice for exploring and sampling from the multimodal posterior distribution over tree topologies and evolutionary distances. We demonstrate that our amortized posterior sampler, PhyloGFN, produces diverse and high-quality evolutionary hypotheses on real benchmark datasets. PhyloGFN is competitive with prior works in marginal likelihood estimation and achieves a closer fit to the target distribution than state-of-the-art variational inference methods. Our code is available at https://github.com/zmy1116/phylogfn.

2024-01-15

ICLR.cc/2024/Conference (poster)

Foundational Challenges in Assuring Alignment and Safety of Large Language Models

Usman Anwar

Abulhair Saparov

Javier Rando

Daniel Paleka

Miles Turpin

Peter Hase

Ekdeep Singh Lubana

Erik Jenner

Stephen Casper

Oliver Sourbut

Benjamin L. Edelman

Zhaowei Zhang

Mario Günther

Anton Korinek

Jose Hernandez-Orallo

Lewis Hammond

Eric Bigelow

Alexander Pan

Lauro Langosco

Tomasz Korbak … (see 22 more)

Heidi Zhang

Ruiqi Zhong

Seán Ó hÉigeartaigh

Gabriel Recchia

Giulio Corsi

Markus Anderljung

Lilian Edwards

Aleksandar Petrov

Christian Schroeder de Witt

Sumeet Ramesh Motwani

Samuel Albanie

Danqi Chen

Philip H.S. Torr

Jakob Foerster

Florian Tramèr

He He

Atoosa Kasirzadeh

Yejin Choi

David Krueger

This work identifies 18 foundational challenges in assuring the alignment and safety of large language models (LLMs). These challenges are o… (see more)rganized into three different categories: scientific understanding of LLMs, development and deployment methods, and sociotechnical challenges. Based on the identified challenges, we pose

2023-12-31

Trans. Mach. Learn. Res. (published)

Generative Active Learning for the Search of Small-Molecule Protein Binders

Maksym Korablyov

Cheng-Hao Liu

Almer Van Der Sloot

Éric Jolicoeur

Edward Ruediger

Andrei Nica

Emmanuel Bengio

Kostiantyn Lapchevskyi

Daniel St-Cyr

Doris Alexandra Schuetz

Victor Ion Butoi

Jarrid Rector-Brooks

Simon Blackburn

Saikrishna Gottipati

Priyesh Vijayan

Prateek Gupta

Ladislav Rampasek … (see 14 more)

Sasikanth Avancha

Pierre-Luc Bacon

William Hamilton

Brooks Paige

Sanchit Misra

Stanislaw Jastrzebski

Bharat Kaul

José Miguel Hernández-Lobato

Marwin Segler

Michael Bronstein

Anne Marinier

Mike Tyers

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exh… (see more)ibit a property of interest remains a significant challenge. We introduce LambdaZero, a generative active learning approach to search for synthesizable molecules. Powered by deep reinforcement learning, LambdaZero learns to search over the vast space of molecules to discover candidates with a desired property. We apply LambdaZero with molecular docking to design novel small molecules that inhibit the enzyme soluble Epoxide Hydrolase 2 (sEH), while enforcing constraints on synthesizability and drug-likeliness. LambdaZero provides an exponential speedup in terms of the number of calls to the expensive molecular docking oracle, and LambdaZero de novo designed molecules reach docking scores that would otherwise require the virtual screening of a hundred billion molecules. Importantly, LambdaZero discovers novel scaffolds of synthesizable, drug-like inhibitors for sEH. In in vitro experimental validation, a series of ligands from a generated quinazoline-based scaffold were synthesized, and the lead inhibitor N-(4,6-di(pyrrolidin-1-yl)quinazolin-2-yl)-N-methylbenzamide (UM0152893) displayed sub-micromolar enzyme inhibition of sEH.

2023-12-31

arXiv (preprint)

Local Search GFlowNets

Emmanuel Bengio

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.

2023-12-31

ICLR (published)

Machine Learning and Information Theory Concepts Towards an AI Mathematician

Nikolay Malkin

The current state-of-the-art in artificial intelligence is impressive, especially in terms of mastery of language, but not so much in terms … (see more)of mathematical reasoning. What could be missing? Can we learn something useful about that gap from how the brains of mathematicians go about their craft? This essay builds on the idea that current deep learning mostly succeeds at system 1 abilities -- which correspond to our intuition and habitual behaviors -- but still lacks something important regarding system 2 abilities -- which include reasoning and robust uncertainty estimation. It takes an information-theoretical posture to ask questions about what constitutes an interesting mathematical statement, which could guide future work in crafting an AI mathematician. The focus is not on proving a given theorem but on discovering new and interesting conjectures. The central hypothesis is that a desirable body of theorems better summarizes the set of all provable statements, for example by having a small description length while at the same time being close (in terms of number of derivation steps) to many provable statements.

2023-12-31

arXiv (preprint)

PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated Catalyst Design

Alexandre Duval

Santiago Miret

Alex Hernández-García

Mitigating the climate crisis requires a rapid transition towards lower-carbon energy. Catalyst materials play a crucial role in the electro… (see more)chemical reactions involved in numerous industrial processes key to this transition, such as renewable energy storage and electrofuel synthesis. To reduce the energy spent on such activities, we must quickly discover more efficient catalysts to drive electrochemical reactions. Machine learning (ML) holds the potential to efficiently model materials properties from large amounts of data, accelerating electrocatalyst design. The Open Catalyst Project OC20 dataset was constructed to that end. However, ML models trained on OC20 are still neither scalable nor accurate enough for practical applications. In this paper, we propose task-specific innovations applicable to most architectures, enhancing both computational efficiency and accuracy. This includes improvements in (1) the graph creation step, (2) atom representations, (3) the energy prediction head, and (4) the force prediction head. We describe these contributions, referred to as PhAST, and evaluate them thoroughly on multiple architectures. Overall, PhAST improves energy MAE by 4 to 42

2023-12-31

Journal of Machine Learning Research (published)