Emmanuel Bengio

Salem Lahlou

Tristan Deleu

Edward J Hu

Mo Tiwari

GFlowNet Foundations

Salem Lahlou

Tristan Deleu

Edward J. Hu

Mo Tiwari

Learning GFlowNets from partial episodes for improved convergence and stability

Kanika Madan

Jarrid Rector-Brooks

Maksym Korablyov

Moksh J. Jain

Andrei Cristian Nica

Tom Bosc

Nikolay Malkin

Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized … (see more)target density and have been successfully used for various probabilistic modeling tasks. Existing training objectives for GFlowNets are either local to states or transitions, or propagate a reward signal over an entire sampling trajectory. We argue that these alternatives represent opposite ends of a gradient bias-variance tradeoff and propose a way to exploit this tradeoff to mitigate its harmful effects. Inspired by the TD(

2023-01-01

ICML (published)

openreview.net

Noisy Pairing and Partial Supervision for Stylized Opinion Summarization

Reinald Kim

Mirella Lapata. 2020

Un-611

Maxinder S. Kan-620

Asja Fischer

Somnath Basu

Roy Chowdhury

Chao Zhao

Tanya Goyal

Junyi Jiacheng Xu

Jessy Li

Ivor W. Tsang

James T. Kwok

Neil Houlsby

Andrei Giurgiu

Stanisław Jastrzębski … (see 22 more)

Bruna Morrone

Quentin de Laroussilhe

Mona Gesmundo

Attariyan Sylvain

Gelly

Thomas Wolf

Lysandre Debut

Julien Victor Sanh

Clement Chaumond

Anthony Delangue

Pier-339 Moi

Tim ric Cistac

R´emi Rault

Morgan Louf

Funtow-900 Joe

Sam Davison

Patrick Shleifer

Von Platen

Clara Ma

Yacine Jernite

Julien Plu

Canwen Xu

Opinion summarization research has primar-001 ily focused on generating summaries reflect-002 ing important opinions from customer reviews 0… (see more)03 without paying much attention to the writing 004 style. In this paper, we propose the stylized 005 opinion summarization task, which aims to 006 generate a summary of customer reviews in 007 the desired (e.g., professional) writing style. 008 To tackle the difficulty in collecting customer 009 and professional review pairs, we develop a 010 non-parallel training framework, Noisy Pair-011 ing and Partial Supervision ( NAPA ), which 012 trains a stylized opinion summarization sys-013 tem from non-parallel customer and profes-014 sional review sets. We create a benchmark P RO - 015 S UM by collecting customer and professional 016 reviews from Yelp and Michelin. Experimental 017 results on P RO S UM and FewSum demonstrate 018 that our non-parallel training framework con-019 sistently improves both automatic and human 020 evaluations, successfully building a stylized 021 opinion summarization model that can gener-022 ate professionally-written summaries from cus-023 tomer reviews. 024

2023-01-01

(published)

www.semanticscholar.org

Multi-Objective GFlowNets

Moksh J. Jain

Sharath Chandra Raparthy

Alex Hernandez-Garcia

Jarrid Rector-Brooks

Santiago Miret

We study the problem of generating diverse candidates in the context of Multi-Objective Optimization. In many applications of machine learni… (see more)ng such as drug discovery and material design, the goal is to generate candidates which simultaneously optimize a set of potentially conflicting objectives. Moreover, these objectives are often imperfect evaluations of some underlying property of interest, making it important to generate diverse candidates to have multiple options for expensive downstream evaluations. We propose Multi-Objective GFlowNets (MOGFNs), a novel method for generating diverse Pareto optimal solutions, based on GFlowNets. We introduce two variants of MOGFNs: MOGFN-PC, which models a family of independent sub-problems defined by a scalarization function, with reward-conditional GFlowNets, and MOGFN-AL, which solves a sequence of sub-problems defined by an acquisition function in an active learning loop. Our experiments on wide variety of synthetic and benchmark tasks demonstrate advantages of the proposed methods in terms of the Pareto performance and importantly, improved candidate diversity, which is the main contribution of this work.

2022-10-23

ArXiv (preprint)

Multi-Objective GFlowNets

Moksh J. Jain

Sharath Chandra Raparthy

Alex Hernandez-Garcia

Jarrid Rector-Brooks

Santiago Miret

We study the problem of generating diverse candidates in the context of Multi-Objective Optimization. In many applications of machine learni… (see more)ng such as drug discovery and material design, the goal is to generate candidates which simultaneously optimize a set of potentially conflicting objectives. Moreover, these objectives are often imperfect evaluations of some underlying property of interest, making it important to generate diverse candidates to have multiple options for expensive downstream evaluations. We propose Multi-Objective GFlowNets (MOGFNs), a novel method for generating diverse Pareto optimal solutions, based on GFlowNets. We introduce two variants of MOGFNs: MOGFN-PC, which models a family of independent sub-problems defined by a scalarization function, with reward-conditional GFlowNets, and MOGFN-AL, which solves a sequence of sub-problems defined by an acquisition function in an active learning loop. Our experiments on wide variety of synthetic and benchmark tasks demonstrate advantages of the proposed methods in terms of the Pareto performance and importantly, improved candidate diversity, which is the main contribution of this work.

2022-10-23

ArXiv (preprint)

Multi-Objective GFlowNets

Moksh J. Jain

Sharath Chandra Raparthy

Alex Hernandez-Garcia

Jarrid Rector-Brooks

Santiago Miret

We study the problem of generating diverse candidates in the context of Multi-Objective Optimization. In many applications of machine learni… (see more)ng such as drug discovery and material design, the goal is to generate candidates which simultaneously optimize a set of potentially conflicting objectives. Moreover, these objectives are often imperfect evaluations of some underlying property of interest, making it important to generate diverse candidates to have multiple options for expensive downstream evaluations. We propose Multi-Objective GFlowNets (MOGFNs), a novel method for generating diverse Pareto optimal solutions, based on GFlowNets. We introduce two variants of MOGFNs: MOGFN-PC, which models a family of independent sub-problems defined by a scalarization function, with reward-conditional GFlowNets, and MOGFN-AL, which solves a sequence of sub-problems defined by an acquisition function in an active learning loop. Our experiments on wide variety of synthetic and benchmark tasks demonstrate advantages of the proposed methods in terms of the Pareto performance and importantly, improved candidate diversity, which is the main contribution of this work.

2022-10-23

ArXiv (preprint)

Biological Sequence Design with GFlowNets

Moksh J. Jain

Alex Hernandez-Garcia

Jarrid Rector-Brooks

Bonaventure F. P. Dossou

Chanakya Ajit Ekbote

Jie Fu

Tianyu Zhang

Micheal Kilgour

Dinghuai Zhang

Lena Simine

Payel Das

2022-06-28

Proceedings of the 39th International Conference on Machine Learning (published)

E VALUATING G ENERALIZATION IN GF LOW N ETS FOR M OLECULE D ESIGN

Andrei Cristian Nica

Moksh J. Jain

Cheng-Hao Liu

Maksym Korablyov

Michael M. Bronstein

Deep learning bears promise for drug discovery problems such as de novo molecular design. Generating data to train such models is a costly a… (see more)nd time-consuming process, given the need for wet-lab experiments or expensive simulations. This problem is compounded by the notorious data-hungriness of machine learning algorithms. In small molecule generation the recently proposed GFlowNet method has shown good performance in generating diverse high-scoring candidates, and has the interesting advantage of being an off-policy offline method. Finding an appropriate generalization evaluation metric for such models, one predictive of the desired search performance (i.e. finding high-scoring diverse candidates), will help guide online data collection for such an algorithm. In this work, we develop techniques for evaluating GFlowNet performance on a test set, and identify the most promising metric for predicting generalization. We present empirical results on several small-molecule design tasks in drug discovery, for several GFlowNet training setups, and we find a metric strongly correlated with diverse high-scoring batch generation. This metric should be used to identify the best generative model from which to sample batches of molecules to be evaluated.

2022-04-05

ICLR.cc/2022/Workshop/MLDD (poster)

openreview.net

Trajectory Balance: Improved Credit Assignment in GFlowNets

Nikolay Malkin

Moksh J. Jain

Chen Sun

Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or s… (see more)trings, from a given unnormalized density by sequences of actions, where many possible action sequences may lead to the same object. We find previously proposed learning objectives for GFlowNets, flow matching and detailed balance, which are analogous to temporal difference learning, to be prone to inefficient credit propagation across long action sequences. We thus propose a new learning objective for GFlowNets, trajectory balance, as a more efficient alternative to previously used objectives. We prove that any global minimizer of the trajectory balance objective can define a policy that samples exactly from the target distribution. In experiments on four distinct domains, we empirically demonstrate the benefits of the trajectory balance objective for GFlowNet convergence, diversity of generated samples, and robustness to long action sequences and large action spaces.

openreview.net

GFlowNet Foundations

Tristan Deleu

Edward J Hu

Salem Lahlou

Mo Tiwari

2021-11-17

ArXiv (preprint)

GFlowNet Foundations

Tristan Deleu

Edward J Hu

Salem Lahlou

Mo Tiwari

2021-11-17

ArXiv (preprint)