Sharath Chandra Raparthy

Sheng Shen

Shengye Wan

Shruti Bhosale

Shun Zhang

Simon Van-denhende

Soumya Batra

Spencer Whitman

Sten Sootla

Stephane Collot

Suchin Gururangan

S. Borodinsky

Tamar Herman

Tara Fowler

Tarek Sheasha

Thomas Georgiou

Thomas Scialom

Tobias Speckbacher

Todor Mihaylov

Tong Xiao

Ujjwal Karn

Vedanuj Goswami

Vibhor Gupta

Vignesh Ramanathan

Viktor Kerkez

Vincent Gonguet

Vir-ginie Do

Vish Vogeti

Vitor Albiero

Vladan Petro-vic

Weiwei Chu

Wenhan Xiong

Wenyin Fu

2025-05-28

ArXiv (preprint)

Multi-Objective GFlowNets

Moksh J. Jain

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.

2023-04-24

ICML.cc/2023/Conference (poster)

openreview.net

Multi-Objective GFlowNets

Moksh J. Jain

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

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

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)

Compositional Attention: Disentangling Search and Retrieval

Sarthak Mittal

Irina Rish

Guillaume Lajoie

Multi-head, key-value attention is the backbone of transformer-like model architectures which have proven to be widely successful in recent … (see more)years. This attention mechanism uses multiple parallel key-value attention blocks (called heads), each performing two fundamental computations: (1) search - selection of a relevant entity from a set via query-key interaction, and (2) retrieval - extraction of relevant features from the selected entity via a value matrix. Standard attention heads learn a rigid mapping between search and retrieval. In this work, we first highlight how this static nature of the pairing can potentially: (a) lead to learning of redundant parameters in certain tasks, and (b) hinder generalization. To alleviate this problem, we propose a novel attention mechanism, called Compositional Attention, that replaces the standard head structure. The proposed mechanism disentangles search and retrieval and composes them in a dynamic, flexible and context-dependent manner. Through a series of numerical experiments, we show that it outperforms standard multi-head attention on a variety of tasks, including some out-of-distribution settings. Through our qualitative analysis, we demonstrate that Compositional Attention leads to dynamic specialization based on the type of retrieval needed. Our proposed mechanism generalizes multi-head attention, allows independent scaling of search and retrieval and is easy to implement in a variety of established network architectures.

2022-01-01

International Conference on Learning Representations (published)

openreview.net

Continual Learning In Environments With Polynomial Mixing Times

Matthew D Riemer

Ignacio Cases

Gopeshh Subbaraj

Maximilian Puelma Touzel

Irina Rish

The mixing time of the Markov chain induced by a policy limits performance in real-world continual learning scenarios. Yet, the effect of mi… (see more)xing times on learning in continual reinforcement learning (RL) remains underexplored. In this paper, we characterize problems that are of long-term interest to the development of continual RL, which we call scalable MDPs, through the lens of mixing times. In particular, we theoretically establish that scalable MDPs have mixing times that scale polynomially with the size of the problem. We go on to demonstrate that polynomial mixing times present significant difficulties for existing approaches that suffer from myopic bias and stale bootstrapped estimates. To validate the proposed theory, we study the empirical scaling behavior of mixing times with respect to the number of tasks and task switching frequency for pretrained high performing policies on seven Atari games. Our analysis demonstrates both that polynomial mixing times do emerge in practice and how their existence may lead to unstable learning behavior like catastrophic forgetting in continual learning settings.

openreview.net

Curriculum in Gradient-Based Meta-Reinforcement Learning

Bhairav Mehta

Tristan Deleu

Chris Pal

Liam Paull

Gradient-based meta-learners such as Model-Agnostic Meta-Learning (MAML) have shown strong few-shot performance in supervised and reinforcem… (see more)ent learning settings. However, specifically in the case of meta-reinforcement learning (meta-RL), we can show that gradient-based meta-learners are sensitive to task distributions. With the wrong curriculum, agents suffer the effects of meta-overfitting, shallow adaptation, and adaptation instability. In this work, we begin by highlighting intriguing failure cases of gradient-based meta-RL and show that task distributions can wildly affect algorithmic outputs, stability, and performance. To address this problem, we leverage insights from recent literature on domain randomization and propose meta Active Domain Randomization (meta-ADR), which learns a curriculum of tasks for gradient-based meta-RL in a similar as ADR does for sim2real transfer. We show that this approach induces more stable policies on a variety of simulated locomotion and navigation tasks. We assess in- and out-of-distribution generalization and find that the learned task distributions, even in an unstructured task space, greatly improve the adaptation performance of MAML. Finally, we motivate the need for better benchmarking in meta-RL that prioritizes \textit{generalization} over single-task adaption performance.

2020-02-19

ArXiv (preprint)