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Kanika Madan

madankan@mila.quebec
PhD - Université de Montréal
Supervisor
Yoshua Bengio

Publications

Pre-Training and Fine-Tuning Generative Flow Networks
Ling Pan
Moksh J. Jain
Kanika Madan
Yoshua Bengio
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.
2024-01-16
ICLR.cc/2024/Conference (spotlight)
doi.org
openreview.net
Causal Discovery in Gene Regulatory Networks with GFlowNet: Towards Scalability in Large Systems
Trang Nguyen
Alexander Tong
Kanika Madan
Yoshua Bengio
Dianbo Liu
Understanding causal relationships within Gene Regulatory Networks (GRNs) is essential for unraveling the gene interactions in cellular proc… (see more)esses. However, causal discovery in GRNs is a challenging problem for multiple reasons including the existence of cyclic feedback loops and uncertainty that yields diverse possible causal structures. Previous works in this area either ignore cyclic dynamics (assume acyclic structure) or struggle with scalability. We introduce Swift-DynGFN as a novel framework that enhances causal structure learning in GRNs while addressing scalability concerns. Specifically, Swift-DynGFN exploits gene-wise independence to boost parallelization and to lower computational cost. Experiments on real single-cell RNA velocity and synthetic GRN datasets showcase the advancement in learning causal structure in GRNs and scalability in larger systems.
2023-10-27
NeurIPS.cc/2023/Workshop/GenBio (poster)
openreview.net
openreview.net
Causal Inference in Gene Regulatory Networks with GFlowNet: Towards Scalability in Large Systems
Trang Nguyen
Alexander Tong
Kanika Madan
Yoshua Bengio
Dianbo Liu
Understanding causal relationships within Gene Regulatory Networks (GRNs) is essential for unraveling the gene interactions in cellular proc… (see more)esses. However, causal discovery in GRNs is a challenging problem for multiple reasons including the existence of cyclic feedback loops and uncertainty that yields diverse possible causal structures. Previous works in this area either ignore cyclic dynamics (assume acyclic structure) or struggle with scalability. We introduce Swift-DynGFN as a novel framework that enhances causal structure learning in GRNs while addressing scalability concerns. Specifically, Swift-DynGFN exploits gene-wise independence to boost parallelization and to lower computational cost. Experiments on real single-cell RNA velocity and synthetic GRN datasets showcase the advancement in learning causal structure in GRNs and scalability in larger systems.
2023-10-05
ArXiv (preprint)
doi.org
arxiv.org
Reusable Slotwise Mechanisms
Trang Nguyen
Amin Mansouri
Kanika Madan
Khuong N. Nguyen
Nguyen Duy Khuong
Kartik Ahuja
Dianbo Liu
Yoshua Bengio
Agents with the ability to comprehend and reason about the dynamics of objects would be expected to exhibit improved robustness and generali… (see more)zation in novel scenarios. However, achieving this capability necessitates not only an effective scene representation but also an understanding of the mechanisms governing interactions among object subsets. Recent studies have made significant progress in representing scenes using object slots. In this work, we introduce Reusable Slotwise Mechanisms, or RSM, a framework that models object dynamics by leveraging communication among slots along with a modular architecture capable of dynamically selecting reusable mechanisms for predicting the future states of each object slot. Crucially, RSM leverages the Central Contextual Information (CCI), enabling selected mechanisms to access the remaining slots through a bottleneck, effectively allowing for modeling of higher order and complex interactions that might require a sparse subset of objects. Experimental results demonstrate the superior performance of RSM compared to state-of-the-art methods across various future prediction and related downstream tasks, including Visual Question Answering and action planning. Furthermore, we showcase RSM's Out-of-Distribution generalization ability to handle scenes in intricate scenarios.
openreview.net
Thompson Sampling for Improved Exploration in GFlowNets
Jarrid Rector-Brooks
Kanika Madan
Moksh J. Jain
Maksym Korablyov
Cheng-Hao Liu
Sarath Chandar Anbil Parthipan
Nikolay Malkin
Yoshua Bengio
Generative flow networks (GFlowNets) are amortized variational inference algorithms that treat sampling from a distribution over composition… (see more)al objects as a sequential decision-making problem with a learnable action policy. Unlike other algorithms for hierarchical sampling that optimize a variational bound, GFlowNet algorithms can stably run off-policy, which can be advantageous for discovering modes of the target distribution. Despite this flexibility in the choice of behaviour policy, the optimal way of efficiently selecting trajectories for training has not yet been systematically explored. In this paper, we view the choice of trajectories for training as an active learning problem and approach it using Bayesian techniques inspired by methods for multi-armed bandits. The proposed algorithm, Thompson sampling GFlowNets (TS-GFN), maintains an approximate posterior distribution over policies and samples trajectories from this posterior for training. We show in two domains that TS-GFN yields improved exploration and thus faster convergence to the target distribution than the off-policy exploration strategies used in past work.
2023-06-19
ICML.cc/2023/Workshop/SPIGM (poster)
doi.org
openreview.net
Learning GFlowNets from partial episodes for improved convergence and stability
Kanika Madan
Jarrid Rector-Brooks
Maksym Korablyov
Emmanuel Bengio
Moksh J. Jain
Andrei Cristian Nica
Tom Bosc
Yoshua Bengio
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)
doi.org
openreview.net
Accounting for Variance in Machine Learning Benchmarks
Xavier Bouthillier
Pierre Delaunay
Mirko Bronzi
Assya Trofimov
Brennan Nichyporuk
Justin Szeto
Naz Sepah
Edward Raff
Kanika Madan
Vikram Voleti
Samira Ebrahimi Kahou
Vincent Michalski
Dmitriy Serdyuk
Tal Arbel
Chris Pal
Gael Varoquaux
Pascal Vincent
Strong empirical evidence that one machine-learning algorithm A outperforms another one B ideally calls for multiple trials optimizing the l… (see more)earning pipeline over sources of variation such as data sampling, data augmentation, parameter initialization, and hyperparameters choices. This is prohibitively expensive, and corners are cut to reach conclusions. We model the whole benchmarking process, revealing that variance due to data sampling, parameter initialization and hyperparameter choice impact markedly the results. We analyze the predominant comparison methods used today in the light of this variance. We show a counter-intuitive result that adding more sources of variation to an imperfect estimator approaches better the ideal estimator at a 51 times reduction in compute cost. Building on these results, we study the error rate of detecting improvements, on five different deep-learning tasks/architectures. This study leads us to propose recommendations for performance comparisons.
2021-01-01
MLSys (published)
arxiv.org
arxiv.org