Yoshua Bengio

jamal.abouhaibeh@mila.quebec

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

Collaborating researcher - Cambridge University

Principal supervisor :

berkes.anais@mila.quebec

sanghyeok.choi@mila.quebec

Rim Assouel

PhD - Université de Montréal

assouelr@mila.quebec

Xiaoyin Chen

PhD - Université de Montréal

xiaoyin.chen@mila.quebec

Sanghyeok Choi

Collaborating researcher - KAIST

PhD - Université de Montréal

aniket.didolkar@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

Mohsin Hasan

PhD - Université de Montréal

mohsin.hasan@mila.quebec

thomas.jiralerspong@mila.quebec

Moksh Jain

PhD - Université de Montréal

moksh.jain@mila.quebec

PhD - Université de Montréal

Principal supervisor :

Guillaume Lajoie

Collaborating Alumni - Université de Montréal

younesse.kaddar@mila.quebec

Hyeonah Kim

Postdoctorate - Université de Montréal

Principal supervisor :

hyeonah.kim@mila.quebec

Minsu Kim

Collaborating researcher - Université de Montréal

minsu.kim@mila.quebec

Collaborating researcher - KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY

jeongjae.lee@mila.quebec

cristian-dragos.manta@mila.quebec

Song LIU

Collaborating researcher - s.o.

Collaborating researcher

Cristian Dragos Manta

PhD - Université de Montréal

Co-supervisor :

Dhanya Sridhar

Sarthak Mittal

PhD - Université de Montréal

Principal supervisor :

Independent visiting researcher - Université de Montréal

nguyenph@mila.quebec

Ali Parviz

Collaborating researcher - Ying Wu Coll of Computing

ali.parviz@mila.quebec

Lena Podina

Collaborating researcher - University of Waterloo

Principal supervisor :

elena.podina@mila.quebec

jarrid.rector-brooks@mila.quebec

Jarrid Rector-Brooks

PhD - Université de Montréal

Danyal REHMAN

Postdoctorate - Université de Montréal

danyal.rehman@mila.quebec

oliver.richardson@mila.quebec

Oli RICHARDSON

Postdoctorate - Université de Montréal

Camille Rochefort-Boulanger

PhD - Université de Montréal

Principal supervisor :

Postdoctorate - Université de Montréal

Co-supervisor :

divya.sharma@mila.quebec

Mélisande Astrid Crystal Teng

Collaborating Alumni - Université de Montréal

Co-supervisor :

Alex Tong

Collaborating Alumni - Université de Montréal

alexander.tong@mila.quebec

Collaborating researcher - University of Cambridge

oszkar.urban@mila.quebec

Donna Vakalis

Collaborating Alumni - Université de Montréal

Co-supervisor :

donna.vakalis@mila.quebec

PhD - Université de Montréal

Principal supervisor :

Glen Berseth

siddarth.venkatraman@mila.quebec

Collaborating researcher

joseph.viviano2@mila.quebec

Collaborating researcher - Université de Montréal

esmeralda.whitammer@mila.quebec

Collaborating Alumni

omar.younis@mila.quebec

Collaborating researcher - Université de Montréal

taeyoung.yun@mila.quebec

Skipper: Combining Spatial and Temporal Abstraction for Better Generalization

Tianyu Zhang

PhD - Université de Montréal

tianyu.zhang@mila.quebec

PhD - McGill University

Principal supervisor :

Harry Zhao

Collaborating Alumni - McGill University

Principal supervisor :

Blog Posts

Generic thumbnail for Mila Blog articles.

February 22, 2024

Mingde Harry Zhao

Safa Alver

Harm van Seijen

Romain Laroche

Doina Precup

Yoshua Bengio

Scaling in the Service of Reasoning & Model-Based ML

April 4, 2023

Yoshua Bengio

Edward J. Hu

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

March 23, 2022

Paul Bertin

Jake P. Taylor-King

Yoshua Bengio

March 15, 2022

Generative Flow Networks

Yoshua Bengio

Publications

Multi-Fidelity Active Learning with GFlowNets

Nikita Saxena

Moksh J. Jain

Cheng-Hao Liu

In the last decades, the capacity to generate large amounts of data in science and engineering applications has been growing steadily. Meanw… (see more)hile, the progress in machine learning has turned it into a suitable tool to process and utilise the available data. Nonetheless, many relevant scientific and engineering problems present challenges where current machine learning methods cannot yet efficiently leverage the available data and resources. For example, in scientific discovery, we are often faced with the problem of exploring very large, high-dimensional spaces, where querying a high fidelity, black-box objective function is very expensive. Progress in machine learning methods that can efficiently tackle such problems would help accelerate currently crucial areas such as drug and materials discovery. In this paper, we propose the use of GFlowNets for multi-fidelity active learning, where multiple approximations of the black-box function are available at lower fidelity and cost. GFlowNets are recently proposed methods for amortised probabilistic inference that have proven efficient for exploring large, high-dimensional spaces and can hence be practical in the multi-fidelity setting too. Here, we describe our algorithm for multi-fidelity active learning with GFlowNets and evaluate its performance in both well-studied synthetic tasks and practically relevant applications of molecular discovery. Our results show that multi-fidelity active learning with GFlowNets can efficiently leverage the availability of multiple oracles with different costs and fidelities to accelerate scientific discovery and engineering design.

2024-07-24

TMLR (accepted)

Improving Gradient-Guided Nested Sampling for Posterior Inference

Pablo Lemos

Nikolay Malkin

Will Handley

Laurence Perreault-Levasseur

Yashar Hezaveh

We present a performant, general-purpose gradient-guided nested sampling algorithm, …

2024-07-22

International Conference on Machine Learning (Accept (Poster))

Iterated Denoising Energy Matching for Sampling from Boltzmann Densities

Avishek Joey Bose

Cheng-Hao Liu

Nikolay Malkin

Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-… (see more)body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising Energy Matching (iDEM), an iterative algorithm that uses a novel stochastic score matching objective leveraging solely the energy function and its gradient -- and no data samples -- to train a diffusion-based sampler. Specifically, iDEM alternates between (I) sampling regions of high model density from a diffusion-based sampler and (II) using these samples in our stochastic matching objective to further improve the sampler. iDEM is scalable to high dimensions as the inner matching objective, is simulation-free, and requires no MCMC samples. Moreover, by leveraging the fast mode mixing behavior of diffusion, iDEM smooths out the energy landscape enabling efficient exploration and learning of an amortized sampler. We evaluate iDEM on a suite of tasks ranging from standard synthetic energy functions to invariant

2024-07-22

International Conference on Machine Learning (Accept (Poster))

Learning to Scale Logits for Temperature-Conditional GFlowNets

Joohwan Ko

Woo Chang Kim

Jinkyoo Park

Emmanuel Bengio

GFlowNets are probabilistic models that sequentially generate compositional structures through a stochastic policy. Among GFlowNets, tempera… (see more)ture-conditional GFlowNets can introduce temperature-based controllability for exploration and exploitation. We propose \textit{Logit-scaling GFlowNets} (Logit-GFN), a novel architectural design that greatly accelerates the training of temperature-conditional GFlowNets. It is based on the idea that previously proposed approaches introduced numerical challenges in the deep network training, since different temperatures may give rise to very different gradient profiles as well as magnitudes of the policy's logits. We find that the challenge is greatly reduced if a learned function of the temperature is used to scale the policy's logits directly. Also, using Logit-GFN, GFlowNets can be improved by having better generalization capabilities in offline learning and mode discovery capabilities in online learning, which is empirically verified in various biological and chemical tasks. Our code is available at https://github.com/dbsxodud-11/logit-gfn

2024-07-22

International Conference on Machine Learning (Accept (Poster))

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

Alexandre Duval

Victor Schmidt

Santiago Miret

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

2024-07-22

International Conference on Machine Learning (Accept (Poster))

Redesigning Information Markets in the Era of Language Models

Martin Weiss

Nasim Rahaman

Manuel Wuthrich

Li Erran Li

Bernhard Schölkopf

Christopher Pal

2024-07-09

colmweb.org/COLM/2024/Conference (accepted)

Memory Efficient Neural Processes via Constant Memory Attention Block

Leo Feng

Frederick Tung

Hossein Hajimirsadeghi

Mohamed Osama Ahmed

2024-07-07

Proceedings of the 41st International Conference on Machine Learning (published)

On Generalization for Generative Flow Networks

Anas Krichel

Nikolay Malkin

Salem Lahlou

Generative Flow Networks (GFlowNets) have emerged as an innovative learning paradigm designed to address the challenge of sampling from an u… (see more)nnormalized probability distribution, called the reward function. This framework learns a policy on a constructed graph, which enables sampling from an approximation of the target probability distribution through successive steps of sampling from the learned policy. To achieve this, GFlowNets can be trained with various objectives, each of which can lead to the model s ultimate goal. The aspirational strength of GFlowNets lies in their potential to discern intricate patterns within the reward function and their capacity to generalize effectively to novel, unseen parts of the reward function. This paper attempts to formalize generalization in the context of GFlowNets, to link generalization with stability, and also to design experiments that assess the capacity of these models to uncover unseen parts of the reward function. The experiments will focus on length generalization meaning generalization to states that can be constructed only by longer trajectories than those seen in training.

2024-07-02

ArXiv (preprint)

arxiv.org

Cell Morphology-Guided Small Molecule Generation with GFlowNets

Stephen Zhewen Lu

Ziqing Lu

Ehsan Hajiramezanali

Tommaso Biancalani

Gabriele Scalia

Michał Koziarski

2024-06-16

AI4Science @ International Conference on Machine Learning (poster)

Estimating Expectations without Sampling: Neural Stein Estimation

Mohsin Hasan

Dinghuai Zhang

Cheikh Ahmed

Awa Khouna

We propose a method for estimating the expected value of a given function …

2024-05-26

approximateinference.org/AABI/2024/Symposium (accepted)

Attention as an RNN

Leo Feng

Frederick Tung

Hossein Hajimirsadeghi

Mohamed Osama Ahmed

Greg Mori

The advent of Transformers marked a significant breakthrough in sequence modelling, providing a highly performant architecture capable of le… (see more)veraging GPU parallelism. However, Transformers are computationally expensive at inference time, limiting their applications, particularly in low-resource settings (e.g., mobile and embedded devices). Addressing this, we (1) begin by showing that attention can be viewed as a special Recurrent Neural Network (RNN) with the ability to compute its \textit{many-to-one} RNN output efficiently. We then (2) show that popular attention-based models such as Transformers can be viewed as RNN variants. However, unlike traditional RNNs (e.g., LSTMs), these models cannot be updated efficiently with new tokens, an important property in sequence modelling. Tackling this, we (3) introduce a new efficient method of computing attention's \textit{many-to-many} RNN output based on the parallel prefix scan algorithm. Building on the new attention formulation, we (4) introduce \textbf{Aaren}, an attention-based module that can not only (i) be trained in parallel (like Transformers) but also (ii) be updated efficiently with new tokens, requiring only constant memory for inferences (like traditional RNNs). Empirically, we show Aarens achieve comparable performance to Transformers on

2024-05-21

ArXiv (preprint)

arxiv.org

BitPruning: Learning Bitlengths for Aggressive and Accurate Quantization

Milos Nikolic

Ghouthi Boukli hacene

Ciaran Bannon

Alberto Delmas Lascorz

Matthieu Courbariaux

Omar Mohamed Awad

Isak Edo Vivancos

Vincent Gripon

Andreas Moshovos

Neural networks have demonstrably achieved state-of-the art accuracy using low-bitlength integer quantization, yielding both execution time … (see more)and energy benefits on existing hardware designs that support short bitlengths. However, the question of finding the minimum bitlength for a desired accuracy remains open. We introduce a training method for minimizing inference bitlength at any granularity while maintaining accuracy. Namely, we propose a regularizer that penalizes large bitlength representations throughout the architecture and show how it can be modified to minimize other quantifiable criteria, such as number of operations or memory footprint. We demonstrate that our method learns thrifty representations while maintaining accuracy. With ImageNet, the method produces an average per layer bitlength of 4.13, 3.76 and 4.36 bits on AlexNet, ResNet18 and MobileNet V2 respectively, remaining within 2.0%, 0.5% and 0.5% of the base TOP-1 accuracy.

2024-05-18

2024 IEEE International Symposium on Circuits and Systems (ISCAS) (published)