Andriy Mnih

NeurIPS Conference 2024 Conference Paper

Schrodinger Bridge Flow for Unpaired Data Translation

• Valentin De Bortoli
• Iryna Korshunova
• Andriy Mnih
• Arnaud Doucet

Mass transport problems arise in many areas of machine learning whereby one wants to compute a map transporting one distribution to another. Generative modeling techniques like Generative Adversarial Networks (GANs) and Denoising Diffusion Models (DMMs) have been successfully adapted to solve such transport problems, resulting in CycleGAN and Bridge Matching respectively. However, these methods do not approximate Optimal Transport (OT) maps, which are known to have desirable properties. Existing techniques approximating OT maps for high-dimensional data-rich problems, including DDMs-based Rectified Flow and Schrodinger bridge procedures, require fully training a DDM-type model at each iteration, or use mini-batch techniques which can introduce significant errors. We propose a novel algorithm to compute the Schrodinger bridge, a dynamic entropy-regularized version of OT, that eliminates the need to train multiple DDMs-like models. This algorithm corresponds to a discretization of a flow of path measures, referred to as the Schrodinger Bridge Flow, whose only stationary point is the Schrodinger bridge. We demonstrate the performance of our algorithm on a variety of unpaired data translation tasks.

ICML Conference 2023 Conference Paper

Compositional Score Modeling for Simulation-Based Inference

• Tomas Geffner
• George Papamakarios
• Andriy Mnih

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they tend to require a large number of simulator calls to learn accurate approximations. In contrast, Neural Likelihood Estimation methods can handle multiple observations at inference time after learning from individual observations, but they rely on standard inference methods, such as MCMC or variational inference, which come with certain performance drawbacks. We introduce a new method based on conditional score modeling that enjoys the benefits of both approaches. We model the scores of the (diffused) posterior distributions induced by individual observations, and introduce a way of combining the learned scores to approximately sample from the target posterior distribution. Our approach is sample-efficient, can naturally aggregate multiple observations at inference time, and avoids the drawbacks of standard inference methods.

NeurIPS Conference 2021 Conference Paper

Coupled Gradient Estimators for Discrete Latent Variables

• Zhe Dong
• Andriy Mnih
• George Tucker

Training models with discrete latent variables is challenging due to the high variance of unbiased gradient estimators. While low-variance reparameterization gradients of a continuous relaxation can provide an effective solution, a continuous relaxation is not always available or tractable. Dong et al. (2020) and Yin et al. (2020) introduced a performant estimator that does not rely on continuous relaxations; however, it is limited to binary random variables. We introduce a novel derivation of their estimator based on importance sampling and statistical couplings, which we extend to the categorical setting. Motivated by the construction of a stick-breaking coupling, we introduce gradient estimators based on reparameterizing categorical variables as sequences of binary variables and Rao-Blackwellization. In systematic experiments, we show that our proposed categorical gradient estimators provide state-of-the-art performance, whereas even with additional Rao-Blackwellization previous estimators (Yin et al. , 2019) underperform a simpler REINFORCE with a leave-one-out-baseline estimator (Kool et al. , 2019).

ICML Conference 2021 Conference Paper

Generalized Doubly Reparameterized Gradient Estimators

• Matthias Bauer
• Andriy Mnih

Efficient low-variance gradient estimation enabled by the reparameterization trick (RT) has been essential to the success of variational autoencoders. Doubly-reparameterized gradients (DReGs) improve on the RT for multi-sample variational bounds by applying reparameterization a second time for an additional reduction in variance. Here, we develop two generalizations of the DReGs estimator and show that they can be used to train conditional and hierarchical VAEs on image modelling tasks more effectively. We first extend the estimator to hierarchical models with several stochastic layers by showing how to treat additional score function terms due to the hierarchical variational posterior. We then generalize DReGs to score functions of arbitrary distributions instead of just those of the sampling distribution, which makes the estimator applicable to the parameters of the prior in addition to those of the posterior.

ICML Conference 2021 Conference Paper

The Lipschitz Constant of Self-Attention

• Hyunjik Kim
• George Papamakarios
• Andriy Mnih

Lipschitz constants of neural networks have been explored in various contexts in deep learning, such as provable adversarial robustness, estimating Wasserstein distance, stabilising training of GANs, and formulating invertible neural networks. Such works have focused on bounding the Lipschitz constant of fully connected or convolutional networks, composed of linear maps and pointwise non-linearities. In this paper, we investigate the Lipschitz constant of self-attention, a non-linear neural network module widely used in sequence modelling. We prove that the standard dot-product self-attention is not Lipschitz for unbounded input domain, and propose an alternative L2 self-attention that is Lipschitz. We derive an upper bound on the Lipschitz constant of L2 self-attention and provide empirical evidence for its asymptotic tightness. To demonstrate the practical relevance of our theoretical work, we formulate invertible self-attention and use it in a Transformer-based architecture for a character-level language modelling task.

NeurIPS Conference 2020 Conference Paper

DisARM: An Antithetic Gradient Estimator for Binary Latent Variables

• Zhe Dong
• Andriy Mnih
• George Tucker

Training models with discrete latent variables is challenging due to the difficulty of estimating the gradients accurately. Much of the recent progress has been achieved by taking advantage of continuous relaxations of the system, which are not always available or even possible. The Augment-REINFORCE-Merge (ARM) estimator provides an alternative that, instead of relaxation, uses continuous augmentation. Applying antithetic sampling over the augmenting variables yields a relatively low-variance and unbiased estimator applicable to any model with binary latent variables. However, while antithetic sampling reduces variance, the augmentation process increases variance. We show that ARM can be improved by analytically integrating out the randomness introduced by the augmentation process, guaranteeing substantial variance reduction. Our estimator, DisARM, is simple to implement and has the same computational cost as ARM. We evaluate DisARM on several generative modeling benchmarks and show that it consistently outperforms ARM and a strong independent sample baseline in terms of both variance and log-likelihood. Furthermore, we propose a local version of DisARM designed for optimizing the multi-sample variational bound, and show that it outperforms VIMCO, the current state-of-the-art method.

JMLR Journal 2020 Journal Article

Monte Carlo Gradient Estimation in Machine Learning

• Shakir Mohamed
• Mihaela Rosca
• Michael Figurnov
• Andriy Mnih

This paper is a broad and accessible survey of the methods we have at our disposal for Monte Carlo gradient estimation in machine learning and across the statistical sciences: the problem of computing the gradient of an expectation of a function with respect to parameters defining the distribution that is integrated; the problem of sensitivity analysis. In machine learning research, this gradient problem lies at the core of many learning problems, in supervised, unsupervised and reinforcement learning. We will generally seek to rewrite such gradients in a form that allows for Monte Carlo estimation, allowing them to be easily and efficiently used and analysed. We explore three strategies---the pathwise, score function, and measure-valued gradient estimators---exploring their historical development, derivation, and underlying assumptions. We describe their use in other fields, show how they are related and can be combined, and expand on their possible generalisations. Wherever Monte Carlo gradient estimators have been derived and deployed in the past, important advances have followed. A deeper and more widely-held understanding of this problem will lead to further advances, and it is these advances that we wish to support. [abs] [ pdf ][ bib ] [ code ] &copy JMLR 2020. ( edit, beta )

ICML Conference 2018 Conference Paper

Disentangling by Factorising

• Hyunjik Kim
• Andriy Mnih

We define and address the problem of unsupervised learning of disentangled representations on data generated from independent factors of variation. We propose FactorVAE, a method that disentangles by encouraging the distribution of representations to be factorial and hence independent across the dimensions. We show that it improves upon beta-VAE by providing a better trade-off between disentanglement and reconstruction quality and being more robust to the number of training iterations. Moreover, we highlight the problems of a commonly used disentanglement metric and introduce a new metric that does not suffer from them.

NeurIPS Conference 2018 Conference Paper

Implicit Reparameterization Gradients

• Mikhail Figurnov
• Shakir Mohamed
• Andriy Mnih

By providing a simple and efficient way of computing low-variance gradients of continuous random variables, the reparameterization trick has become the technique of choice for training a variety of latent variable models. However, it is not applicable to a number of important continuous distributions. We introduce an alternative approach to computing reparameterization gradients based on implicit differentiation and demonstrate its broader applicability by applying it to Gamma, Beta, Dirichlet, and von Mises distributions, which cannot be used with the classic reparameterization trick. Our experiments show that the proposed approach is faster and more accurate than the existing gradient estimators for these distributions.

NeurIPS Conference 2017 Conference Paper

Filtering Variational Objectives

• Chris Maddison
• John Lawson
• George Tucker
• Nicolas Heess
• Mohammad Norouzi
• Andriy Mnih
• Arnaud Doucet
• Yee Teh

When used as a surrogate objective for maximum likelihood estimation in latent variable models, the evidence lower bound (ELBO) produces state-of-the-art results. Inspired by this, we consider the extension of the ELBO to a family of lower bounds defined by a particle filter's estimator of the marginal likelihood, the filtering variational objectives (FIVOs). FIVOs take the same arguments as the ELBO, but can exploit a model's sequential structure to form tighter bounds. We present results that relate the tightness of FIVO's bound to the variance of the particle filter's estimator by considering the generic case of bounds defined as log-transformed likelihood estimators. Experimentally, we show that training with FIVO results in substantial improvements over training the same model architecture with the ELBO on sequential data.

NeurIPS Conference 2017 Conference Paper

REBAR: Low-variance, unbiased gradient estimates for discrete latent variable models

• George Tucker
• Andriy Mnih
• Chris Maddison
• John Lawson
• Jascha Sohl-Dickstein

Learning in models with discrete latent variables is challenging due to high variance gradient estimators. Generally, approaches have relied on control variates to reduce the variance of the REINFORCE estimator. Recent work \citep{jang2016categorical, maddison2016concrete} has taken a different approach, introducing a continuous relaxation of discrete variables to produce low-variance, but biased, gradient estimates. In this work, we combine the two approaches through a novel control variate that produces low-variance, \emph{unbiased} gradient estimates. Then, we introduce a modification to the continuous relaxation and show that the tightness of the relaxation can be adapted online, removing it as a hyperparameter. We show state-of-the-art variance reduction on several benchmark generative modeling tasks, generally leading to faster convergence to a better final log-likelihood.

NeurIPS Conference 2017 Conference Paper

Variational Memory Addressing in Generative Models

• Jörg Bornschein
• Andriy Mnih
• Daniel Zoran
• Danilo Jimenez Rezende

Aiming to augment generative models with external memory, we interpret the output of a memory module with stochastic addressing as a conditional mixture distribution, where a read operation corresponds to sampling a discrete memory address and retrieving the corresponding content from memory. This perspective allows us to apply variational inference to memory addressing, which enables effective training of the memory module by using the target information to guide memory lookups. Stochastic addressing is particularly well-suited for generative models as it naturally encourages multimodality which is a prominent aspect of most high-dimensional datasets. Treating the chosen address as a latent variable also allows us to quantify the amount of information gained with a memory lookup and measure the contribution of the memory module to the generative process. To illustrate the advantages of this approach we incorporate it into a variational autoencoder and apply the resulting model to the task of generative few-shot learning. The intuition behind this architecture is that the memory module can pick a relevant template from memory and the continuous part of the model can concentrate on modeling remaining variations. We demonstrate empirically that our model is able to identify and access the relevant memory contents even with hundreds of unseen Omniglot characters in memory.

ICML Conference 2016 Conference Paper

Variational Inference for Monte Carlo Objectives

• Andriy Mnih
• Danilo Jimenez Rezende

Recent progress in deep latent variable models has largely been driven by the development of flexible and scalable variational inference methods. Variational training of this type involves maximizing a lower bound on the log-likelihood, using samples from the variational posterior to compute the required gradients. Recently, Burda et al. (2016) have derived a tighter lower bound using a multi-sample importance sampling estimate of the likelihood and showed that optimizing it yields models that use more of their capacity and achieve higher likelihoods. This development showed the importance of such multi-sample objectives and explained the success of several related approaches. We extend the multi-sample approach to discrete latent variables and analyze the difficulty encountered when estimating the gradients involved. We then develop the first unbiased gradient estimator designed for importance-sampled objectives and evaluate it at training generative and structured output prediction models. The resulting estimator, which is based on low-variance per-sample learning signals, is both simpler and more effective than the NVIL estimator proposed for the single-sample variational objective, and is competitive with the currently used biased estimators.

ICML Conference 2014 Conference Paper

Deep AutoRegressive Networks

• Karol Gregor
• Ivo Danihelka
• Andriy Mnih
• Charles Blundell
• Daan Wierstra

We introduce a deep, generative autoencoder capable of learning hierarchies of distributed representations from data. Successive deep stochastic hidden layers are equipped with autoregressive connections, which enable the model to be sampled from quickly and exactly via ancestral sampling. We derive an efficient approximate parameter estimation method based on the minimum description length (MDL) principle, which can be seen as maximising a variational lower bound on the log-likelihood, with a feedforward neural network implementing approximate inference. We demonstrate state-of-the-art generative performance on a number of classic data sets: several UCI data sets, MNIST and Atari 2600 games.

ICML Conference 2014 Conference Paper

Neural Variational Inference and Learning in Belief Networks

• Andriy Mnih
• Karol Gregor

Highly expressive directed latent variable models, such as sigmoid belief networks, are difficult to train on large datasets because exact inference in them is intractable and none of the approximate inference methods that have been applied to them scale well. We propose a fast non-iterative approximate inference method that uses a feedforward network to implement efficient exact sampling from the variational posterior. The model and this inference network are trained jointly by maximizing a variational lower bound on the log-likelihood. Although the naive estimator of the inference network gradient is too high-variance to be useful, we make it practical by applying several straightforward model-independent variance reduction techniques. Applying our approach to training sigmoid belief networks and deep autoregressive networks, we show that it outperforms the wake-sleep algorithm on MNIST and achieves state-of-the-art results on the Reuters RCV1 document dataset.

NeurIPS Conference 2013 Conference Paper

Learning word embeddings efficiently with noise-contrastive estimation

• Andriy Mnih
• Koray Kavukcuoglu

Continuous-valued word embeddings learned by neural language models have recently been shown to capture semantic and syntactic information about words very well, setting performance records on several word similarity tasks. The best results are obtained by learning high-dimensional embeddings from very large quantities of data, which makes scalability of the training method a critical factor. We propose a simple and scalable new approach to learning word embeddings based on training log-bilinear models with noise-contrastive estimation. Our approach is simpler, faster, and produces better results than the current state-of-the art method of Mikolov et al. (2013a). We achieve results comparable to the best ones reported, which were obtained on a cluster, using four times less data and more than an order of magnitude less computing time. We also investigate several model types and find that the embeddings learned by the simpler models perform at least as well as those learned by the more complex ones.

ICML Conference 2012 Conference Paper

A fast and simple algorithm for training neural probabilistic language models

• Andriy Mnih
• Yee Whye Teh

NeurIPS Conference 2012 Conference Paper

Learning Label Trees for Probabilistic Modelling of Implicit Feedback

• Andriy Mnih
• Yee Teh

User preferences for items can be inferred from either explicit feedback, such as item ratings, or implicit feedback, such as rental histories. Research in collaborative filtering has concentrated on explicit feedback, resulting in the development of accurate and scalable models. However, since explicit feedback is often difficult to collect it is important to develop effective models that take advantage of the more widely available implicit feedback. We introduce a probabilistic approach to collaborative filtering with implicit feedback based on modelling the user's item selection process. In the interests of scalability, we restrict our attention to tree-structured distributions over items and develop a principled and efficient algorithm for learning item trees from data. We also identify a problem with a widely used protocol for evaluating implicit feedback models and propose a way of addressing it using a small quantity of explicit feedback data.

NeurIPS Conference 2008 Conference Paper

A Scalable Hierarchical Distributed Language Model

• Andriy Mnih
• Geoffrey Hinton

Neural probabilistic language models (NPLMs) have been shown to be competitive with and occasionally superior to the widely-used n-gram language models. The main drawback of NPLMs is their extremely long training and testing times. Morin and Bengio have proposed a hierarchical language model built around a binary tree of words that was two orders of magnitude faster than the non-hierarchical language model it was based on. However, it performed considerably worse than its non-hierarchical counterpart in spite of using a word tree created using expert knowledge. We introduce a fast hierarchical language model along with a simple feature-based algorithm for automatic construction of word trees from the data. We then show that the resulting models can outperform non-hierarchical models and achieve state-of-the-art performance.

ICML Conference 2008 Conference Paper

Bayesian probabilistic matrix factorization using Markov chain Monte Carlo

• Ruslan Salakhutdinov
• Andriy Mnih

Low-rank matrix approximation methods provide one of the simplest and most effective approaches to collaborative filtering. Such models are usually fitted to data by finding a MAP estimate of the model parameters, a procedure that can be performed efficiently even on very large datasets. However, unless the regularization parameters are tuned carefully, this approach is prone to overfitting because it finds a single point estimate of the parameters. In this paper we present a fully Bayesian treatment of the Probabilistic Matrix Factorization (PMF) model in which model capacity is controlled automatically by integrating over all model parameters and hyperparameters. We show that Bayesian PMF models can be efficiently trained using Markov chain Monte Carlo methods by applying them to the Netflix dataset, which consists of over 100 million movie ratings. The resulting models achieve significantly higher prediction accuracy than PMF models trained using MAP estimation.

NeurIPS Conference 2007 Conference Paper

Probabilistic Matrix Factorization

• Andriy Mnih
• Russ Salakhutdinov

Many existing approaches to collaborative filtering can neither handle very large datasets nor easily deal with users who have very few ratings. In this paper we present the Probabilistic Matrix Factorization (PMF) model which scales linearly with the number of observations and, more importantly, performs well on the large, sparse, and very imbalanced Netflix dataset. We further extend the PMF model to include an adaptive prior on the model parameters and show how the model capacity can be controlled automatically. Finally, we introduce a con- strained version of the PMF model that is based on the assumption that users who have rated similar sets of movies are likely to have similar preferences. The result- ing model is able to generalize considerably better for users with very few ratings. When the predictions of multiple PMF models are linearly combined with the predictions of Restricted Boltzmann Machines models, we achieve an error rate of 0. 8861, that is nearly 7% better than the score of Netflix’s own system.

ICML Conference 2007 Conference Paper

Restricted Boltzmann machines for collaborative filtering

• Ruslan Salakhutdinov
• Andriy Mnih
• Geoffrey E. Hinton

Most of the existing approaches to collaborative filtering cannot handle very large data sets. In this paper we show how a class of two-layer undirected graphical models, called Restricted Boltzmann Machines (RBM's), can be used to model tabular data, such as user's ratings of movies. We present efficient learning and inference procedures for this class of models and demonstrate that RBM's can be successfully applied to the Netflix data set, containing over 100 million user/movie ratings. We also show that RBM's slightly outperform carefully-tuned SVD models. When the predictions of multiple RBM models and multiple SVD models are linearly combined, we achieve an error rate that is well over 6% better than the score of Netflix's own system.

ICML Conference 2007 Conference Paper

Three new graphical models for statistical language modelling

• Andriy Mnih
• Geoffrey E. Hinton

The supremacy of n -gram models in statistical language modelling has recently been challenged by parametric models that use distributed representations to counteract the difficulties caused by data sparsity. We propose three new probabilistic language models that define the distribution of the next word in a sequence given several preceding words by using distributed representations of those words. We show how real-valued distributed representations for words can be learned at the same time as learning a large set of stochastic binary hidden features that are used to predict the distributed representation of the next word from previous distributed representations. Adding connections from the previous states of the binary hidden features improves performance as does adding direct connections between the real-valued distributed representations. One of our models significantly outperforms the very best n -gram models.

NeurIPS Conference 2003 Conference Paper

Wormholes Improve Contrastive Divergence

• Max Welling
• Andriy Mnih
• Geoffrey Hinton

In models that define probabilities via energies, maximum likelihood learning typically involves using Markov Chain Monte Carlo to sample from the model’s distribution. If the Markov chain is started at the data distribution, learning often works well even if the chain is only run for a few time steps [3]. But if the data distribution contains modes separated by regions of very low density, brief MCMC will not ensure that different modes have the correct relative energies because it cannot move particles from one mode to another. We show how to improve brief MCMC by allowing long-range moves that are suggested by the data distribution. If the model is approximately correct, these long-range moves have a reasonable acceptance rate.