Dinghuai Zhang

Generative Flow Networks for Discrete Probabilistic Modeling

We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Buil… (see more)ding upon the theory of generative flow networks (GFlowNets), we model the generation process by a stochastic data construction policy and thus amortize expensive MCMC exploration into a fixed number of actions sampled from a GFlowNet. We show how GFlowNets can approximately perform large-block Gibbs sampling to mix between modes. We propose a framework to jointly train a GFlowNet with an energy function, so that the GFlowNet learns to sample from the energy distribution, while the energy learns with an approximate MLE objective with negative samples from the GFlowNet. We demonstrate EB-GFN's effectiveness on various probabilistic modeling tasks. Code is publicly available at https://github.com/zdhNarsil/EB_GFN.

2022-06-27

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

doi.org

proceedings.mlr.press

Unifying Likelihood-Free Inference with Black-Box Optimization and Beyond

Black-box optimization formulations for biological sequence design have drawn recent attention due to their promising potential impact on th… (see more)e pharmaceutical industry. In this work, we propose to unify two seemingly distinct worlds: likelihood-free inference and black-box optimization, under one probabilistic framework. In tandem, we provide a recipe for constructing various sequence design methods based on this framework. We show how previous optimization approaches can be "reinvented" in our framework, and further propose new probabilistic black-box optimization algorithms. Extensive experiments on sequence design application illustrate the benefits of the proposed methodology.

2021-12-31

ICLR (published)

doi.org

openreview.net

Out-of-Distribution Generalization via Risk Extrapolation

David Krueger

Ethan Caballero

Joern-Henrik Jacobsen

Rémi Le Priol

Distributional shift is one of the major obstacles when transferring machine learning prediction systems from the lab to the real world. To … (see more)tackle this problem, we assume that variation across training domains is representative of the variation we might encounter at test time, but also that shifts at test time may be more extreme in magnitude. In particular, we show that reducing differences in risk across training domains can reduce a model's sensitivity to a wide range of extreme distributional shifts, including the challenging setting where the input contains both causal and anti-causal elements. We motivate this approach, Risk Extrapolation (REx), as a form of robust optimization over a perturbation set of extrapolated domains (MM-REx), and propose a penalty on the variance of training risks (V-REx) as a simpler variant. We prove that variants of REx can recover the causal mechanisms of the targets, while also providing some robustness to changes in the input distribution ("covariate shift"). By appropriately trading-off robustness to causally induced distributional shifts and covariate shift, REx is able to outperform alternative methods such as Invariant Risk Minimization in situations where these types of shift co-occur.

2021-06-30

Proceedings of the 38th International Conference on Machine Learning (published)

doi.org

proceedings.mlr.press

Can Subnetwork Structure be the Key to Out-of-Distribution Generalization?

Dinghuai Zhang

Kartik Ahuja

Yilun Xu

Yisen Wang

Aaron Courville

Can models with particular structure avoid being biased towards spurious correlation in out-of-distribution (OOD) generalization? Peters et … (see more)al. (2016) provides a positive answer for linear cases. In this paper, we use a functional modular probing method to analyze deep model structures under OOD setting. We demonstrate that even in biased models (which focus on spurious correlation) there still exist unbiased functional subnetworks. Furthermore, we articulate and demonstrate the functional lottery ticket hypothesis: full network contains a subnetwork that can achieve better OOD performance. We then propose Modular Risk Minimization to solve the subnetwork selection problem. Our algorithm learns the subnetwork structure from a given dataset, and can be combined with any other OOD regularization methods. Experiments on various OOD generalization tasks corroborate the effectiveness of our method.

2020-12-31

ICML (published)

doi.org

proceedings.mlr.press

Invariance Principle Meets Information Bottleneck for Out-of-Distribution Generalization

Kartik Ahuja

Ethan Caballero

Dinghuai Zhang

Jean-christophe Gagnon-audet

Yoshua Bengio

Ioannis Mitliagkas

Irina Rish

The invariance principle from causality is at the heart of notable approaches such as invariant risk minimization (IRM) that seek to address… (see more) out-of-distribution (OOD) generalization failures. Despite the promising theory, invariance principle-based approaches fail in common classification tasks, where invariant (causal) features capture all the information about the label. Are these failures due to the methods failing to capture the invariance? Or is the invariance principle itself insufficient? To answer these questions, we revisit the fundamental assumptions in linear regression tasks, where invariance-based approaches were shown to provably generalize OOD. In contrast to the linear regression tasks, we show that for linear classification tasks we need much stronger restrictions on the distribution shifts, or otherwise OOD generalization is impossible. Furthermore, even with appropriate restrictions on distribution shifts in place, we show that the invariance principle alone is insufficient. We prove that a form of the information bottleneck constraint along with invariance helps address key failures when invariant features capture all the information about the label and also retains the existing success when they do not. We propose an approach that incorporates both of these principles and demonstrate its effectiveness in several experiments.

2020-12-31

NeurIPS (published)

doi.org

openreview.net

Neural Approximate Sufficient Statistics for Implicit Models

Yanzhi Chen

Dinghuai Zhang

Michael U. Gutmann

Aaron Courville

Zhanxing Zhu

We consider the fundamental problem of how to automatically construct summary statistics for implicit generative models where the evaluation… (see more) of the likelihood function is intractable, but sampling data from the model is possible. The idea is to frame the task of constructing sufficient statistics as learning mutual information maximizing representations of the data with the help of deep neural networks. The infomax learning procedure does not need to estimate any density or density ratio. We apply our approach to both traditional approximate Bayesian computation and recent neural likelihood methods, boosting their performance on a range of tasks.

2020-12-31

ICLR (published)

doi.org

openreview.net

Unifying Likelihood-free Inference with Black-box Sequence Design and Beyond

2020-12-31

arXiv.org (preprint)

dblp.uni-trier.de