Contrastive divergence (CD) learning is a classical method for fitting unnormalized statistical models to data samples. Despite its wide-spread use, the convergence properties of this algorithm are still not well understood. The main source of difficulty is an unjustified approximation which has been used to derive the gradient of the loss. In this paper, we present an alternative derivation of CD that does not require any approximation and sheds new light on the objective that is actually being optimized by the algorithm. Specifically, we show that CD is an adversarial learning procedure, where a discriminator attempts to classify whether a Markov chain generated from the model has been time-reversed. Thus, although predating generative adversarial networks (GANs) by more than a decade, CD is, in fact, closely related to these techniques. Our derivation settles well with previous observations, which have concluded that CD's update steps cannot be expressed as the gradients of any fixed objective function. In addition, as a byproduct, our derivation reveals a simple correction that can be used as an alternative to Metropolis-Hastings rejection, which is required when the underlying Markov chain is inexact (e.g. when using Langevin dynamics with a large step).
We propose a number of new algorithms for learning deep energy models and demonstrate their properties. We show that our SteinCD performs well in term of test likelihood, while SteinGAN performs well in terms of generating realistic looking images. Our results suggest promising directions for learning better models by combining GAN-style methods with traditional energy-based learning.
Energy-based models (EBMs) offer flexible distribution parametrization. However, due to the intractable partition function, they are typically trained via contrastive divergence for maximum likelihood estimation. In this paper, we propose pseudo-spherical contrastive divergence (PS-CD) to generalize maximum likelihood learning of EBMs. PS-CD is derived from the maximization of a family of strictly proper homogeneous scoring rules, which avoids the computation of the intractable partition function and provides a generalized family of learning objectives that include contrastive divergence as a …
Contrastive divergence is a popular method of training energy-based models, but is known to have difficulties with training stability. We propose an adaptation to improve contrastive divergence training by scrutinizing a gradient term that is difficult to calculate and is often left out for convenience. We show that this gradient term is numerically significant and in practice is important to avoid training instabilities, while being tractable to estimate. We further highlight how data augmentation and multi-scale processing can be used to improve model robustness and generation quality. Final…
Deep energy-based models (EBMs) are very flexible in distribution parametrization but computationally challenging because of the intractable partition function. They are typically trained via maximum likelihood, using contrastive divergence to approximate the gradient of the KL divergence between data and model distribution. While KL divergence has many desirable properties, other f-divergences have shown advantages in training implicit density generative models such as generative adversarial networks. In this paper, we propose a general variational framework termed f-EBM to train EBMs using a…
Generative Adversarial Networks (GANs) have shown great promise in modeling high dimensional data. The learning objective of GANs usually minimizes some measure discrepancy, \textit{e.g.}, $f$-divergence~($f$-GANs) or Integral Probability Metric~(Wasserstein GANs). With $f$-divergence as the objective function, the discriminator essentially estimates the density ratio, and the estimated ratio proves useful in further improving the sample quality of the generator. However, how to leverage the information contained in the discriminator of Wasserstein GANs (WGAN) is less explored. In this paper, …
The Energy-Based Model (EBM) framework is a very general approach to generative modeling that tries to learn and exploit probability distributions only defined though unnormalized scores. It has risen in popularity recently thanks to the impressive results obtained in image generation by parameterizing the distribution with Convolutional Neural Networks (CNN). However, the motivation and theoretical foundations behind modern EBMs are often absent from recent papers and this sometimes results in some confusion. In particular, the theoretical justifications behind the popular MCMC-based learning…
Generalized Contrastive Divergence: Joint Training of Energy-Based Model and Diffusion Model through Inverse Reinforcement Learning
Korea Institute for Advanced Study（韩国高等研究院）；University of Seoul（首尔市立大学）；Seoul National University（首尔国立大学）；Hanyang University（汉阳大学）；Saige Research（赛奇研究院）
Department of Statistics, UCLA（统计学系，加州大学洛杉矶分校（UCLA））
This paper proposes the divergence triangle as a framework for joint training of generator model, energy-based model and inference model. The divergence triangle is a compact and symmetric (anti-symmetric) objective function that seamlessly integrates variational learning, adversarial learning, wake-sleep algorithm, and contrastive divergence in a unified probabilistic formulation. This unification makes the processes of sampling, inference, energy evaluation readily available without the need for costly Markov chain Monte Carlo methods. Our experiments demonstrate that the divergence triangle…
Contrastive Divergence (CD) and Persistent Contrastive Divergence (PCD) are popular methods for training the weights of Restricted Boltzmann Machines. However, both methods use an approximate method for sampling from the model distribution. As a side effect, these approximations yield significantly different biases and variances for stochastic gradient estimates of individual data points. It is well known that CD yields a biased gradient estimate. In this paper we however show empirically that CD has a lower stochastic gradient estimate variance than exact sampling, while the mean of subsequen…
Korea Advanced Institute of Science and Technology (KAIST)（韩国科学技术院）
Contrastive representation learning seeks to acquire useful representations by estimating the shared information between multiple views of data. Here, the choice of data augmentation is sensitive to the quality of learned representations: as harder the data augmentations are applied, the views share more task-relevant information, but also task-irrelevant one that can hinder the generalization capability of representation. Motivated by this, we present a new robust contrastive learning scheme, coined RényiCL, which can effectively manage harder augmentations by utilizing Rényi divergence. Our …
This paper studies a training method to jointly estimate an energy-based model and a flow-based model, in which the two models are iteratively updated based on a shared adversarial value function. This joint training method has the following traits. (1) The update of the energy-based model is based on noise contrastive estimation, with the flow model serving as a strong noise distribution. (2) The update of the flow model approximately minimizes the Jensen-Shannon divergence between the flow model and the data distribution. (3) Unlike generative adversarial networks (GAN) which estimates an im…
Columbia University（哥伦比亚大学）；University of Cambridge（剑桥大学）；DeepMind（深度思考）
We develop a method to combine Markov chain Monte Carlo (MCMC) and variational inference (VI), leveraging the advantages of both inference approaches. Specifically, we improve the variational distribution by running a few MCMC steps. To make inference tractable, we introduce the variational contrastive divergence (VCD), a new divergence that replaces the standard Kullback-Leibler (KL) divergence used in VI. The VCD captures a notion of discrepancy between the initial variational distribution and its improved version (obtained after running the MCMC steps), and it converges asymptotically to th…
Training energy-based models (EBMs) with noise-contrastive estimation (NCE) is theoretically feasible but practically challenging. Effective learning requires the noise distribution to be approximately similar to the target distribution, especially in high-dimensional domains. Previous works have explored modelling the noise distribution as a separate generative model, and then concurrently training this noise model with the EBM. While this method allows for more effective noise-contrastive estimation, it comes at the cost of extra memory and training complexity. Instead, this thesis proposes …
LG AI Research（LG人工智能研究院）；KAIST（韩国科学技术院）；Korea University（高丽大学）
An energy-based model (EBM) is a popular generative framework that offers both explicit density and architectural flexibility, but training them is difficult since it is often unstable and time-consuming. In recent years, various training techniques have been developed, e.g., better divergence measures or stabilization in MCMC sampling, but there often exists a large gap between EBMs and other generative frameworks like GANs in terms of generation quality. In this paper, we propose a novel and effective framework for improving EBMs via contrastive representation learning (CRL). To be specific,…
LMU Munich（慕尼黑大学）；Google Research（谷歌研究院）；Technical University of Munich（慕尼黑工业大学）
Deep Bregman divergence measures divergence of data points using neural networks which is beyond Euclidean distance and capable of capturing divergence over distributions. In this paper, we propose deep Bregman divergences for contrastive learning of visual representation where we aim to enhance contrastive loss used in self-supervised learning by training additional networks based on functional Bregman divergence. In contrast to the conventional contrastive learning methods which are solely based on divergences between single points, our framework can capture the divergence between distributi…
In our recent paper, we showed that in exponential family, contrastive divergence (CD) with fixed learning rate will give asymptotically consistent estimates \cite{wu2016convergence}. In this paper, we establish consistency and convergence rate of CD with annealed learning rate $η_t$. Specifically, suppose CD-$m$ generates the sequence of parameters $\{θ_t\}_{t \ge 0}$ using an i.i.d. data sample $\mathbf{X}_1^n \sim p_{θ^*}$ of size $n$, then $δ_n(\mathbf{X}_1^n) = \limsup_{t \to \infty} \Vert \sum_{s=t_0}^t η_s θ_s / \sum_{s=t_0}^t η_s - θ^* \Vert$ converges in probability to 0 at a rate of …
This paper studies the problem of parameter learning in probabilistic graphical models having latent variables, where the standard approach is the expectation maximization algorithm alternating expectation (E) and maximization (M) steps. However, both E and M steps are computationally intractable for high dimensional data, while the substitution of one step to a faster surrogate for combating against intractability can often cause failure in convergence. We propose a new learning algorithm which is computationally efficient and provably ensures convergence to a correct optimum. Its key idea is…
Restricted Boltzmann Machines (RBMs) are probabilistic generative models that can be trained by maximum likelihood in principle, but are usually trained by an approximate algorithm called Contrastive Divergence (CD) in practice. In general, a CD-k algorithm estimates an average with respect to the model distribution using a sample obtained from a k-step Markov Chain Monte Carlo Algorithm (e.g., block Gibbs sampling) starting from some initial configuration. Choices of k typically vary from 1 to 100. This technical report explores if it's possible to leverage a simple approximate sampling algor…
Restricted Boltzmann Machines (RBMs) are general unsupervised learning devices to ascertain generative models of data distributions. RBMs are often trained using the Contrastive Divergence learning algorithm (CD), an approximation to the gradient of the data log-likelihood. A simple reconstruction error is often used as a stopping criterion for CD, although several authors \cite{schulz-et-al-Convergence-Contrastive-Divergence-2010-NIPSw, fischer-igel-Divergence-Contrastive-Divergence-2010-ICANN} have raised doubts concerning the feasibility of this procedure. In many cases the evolution curve …
Restricted Boltzmann Machines (RBMs) are general unsupervised learning devices to ascertain generative models of data distributions. RBMs are often trained using the Contrastive Divergence learning algorithm (CD), an approximation to the gradient of the data log-likelihood. A simple reconstruction error is often used to decide whether the approximation provided by the CD algorithm is good enough, though several authors (Schulz et al., 2010; Fischer & Igel, 2010) have raised doubts concerning the feasibility of this procedure. However, not many alternatives to the reconstruction error have been…
University of Copenhagen（哥本哈根大学）；Montreal Institute for Learning Algorithms（蒙特利尔学习算法研究所）；Université de Montréal（蒙特利尔大学）
Estimating the log-likelihood gradient with respect to the parameters of a Restricted Boltzmann Machine (RBM) typically requires sampling using Markov Chain Monte Carlo (MCMC) techniques. To save computation time, the Markov chains are only run for a small number of steps, which leads to a biased estimate. This bias can cause RBM training algorithms such as Contrastive Divergence (CD) learning to deteriorate. We adopt the idea behind Population Monte Carlo (PMC) methods to devise a new RBM training algorithm termed Population-Contrastive-Divergence (pop-CD). Compared to CD, it leads to a consi…
Universitat Politècnica de Catalunya - BarcelonaTech（加泰罗尼亚理工大学-巴塞罗那理工）；Barcelona Supercomputing Center (BSC)（巴塞罗那超级计算中心（BSC））
Learning algorithms for energy based Boltzmann architectures that rely on gradient descent are in general computationally prohibitive, typically due to the exponential number of terms involved in computing the partition function. In this way one has to resort to approximation schemes for the evaluation of the gradient. This is the case of Restricted Boltzmann Machines (RBM) and its learning algorithm Contrastive Divergence (CD). It is well-known that CD has a number of shortcomings, and its approximation to the gradient has several drawbacks. Overcoming these defects has been the basis of much…
Jarzynski Reweighting and Sampling Dynamics for Training Energy-Based Models: Theoretical Analysis of Different Transition Kernels
Dipartimento di Scienze Matematiche, Politecnico di Torino, Italy（都灵理工大学数学科学系）；Istituto Nazionale di Fisica Nucleare, Sezione di Torino, Italy（意大利国家核物理研究所都灵分部）；Laboratoire de Physique de l’École normale supérieure, ENS, Université PSL, France（法国高等科学研究所物理实验室）
Energy-based models are popular in machine learning due to the elegance of their formulation and their relationship to statistical physics. Among these, the Restricted Boltzmann Machine (RBM), and its staple training algorithm contrastive divergence (CD), have been the prototype for some recent advancements in the unsupervised training of deep neural networks. However, CD has limited theoretical motivation, and can in some cases produce undesirable behavior. Here, we investigate the performance of Minimum Probability Flow (MPF) learning for training RBMs. Unlike CD, with its focus on approxima…
Eindhoven University of Technology（埃因霍温理工大学）；University of Pennsylvania（宾夕法尼亚大学）；The University of Texas at Austin（德克萨斯大学奥斯汀分校）
Conceived in the early 1990s, Experience Replay (ER) has been shown to be a successful mechanism to allow online learning algorithms to reuse past experiences. Traditionally, ER can be applied to all machine learning paradigms (i.e., unsupervised, supervised, and reinforcement learning). Recently, ER has contributed to improving the performance of deep reinforcement learning. Yet, its application to many practical settings is still limited by the memory requirements of ER, necessary to explicitly store previous observations. To remedy this issue, we explore a novel approach, Online Contrastive…
By exploiting the property that the RBM log-likelihood function is the difference of convex functions, we formulate a stochastic variant of the difference of convex functions (DC) programming to minimize the negative log-likelihood. Interestingly, the traditional contrastive divergence algorithm is a special case of the above formulation and the hyperparameters of the two algorithms can be chosen such that the amount of computation per mini-batch is identical. We show that for a given computational budget the proposed algorithm almost always reaches a higher log-likelihood more rapidly, compar…
Future University Hakodate（公立函馆未来大学）；RIKEN AIP（理化学研究所先进智能项目中心）；University College London（伦敦大学学院）；Université Paris-Saclay（巴黎-萨克雷大学）；Inria（法国国家信息与自动化研究所）；CEA（法国原子能和替代能源委员会）；Helsinki Institute for Information Technology HIIT（赫尔辛基信息技术研究所 HIIT）；University of Helsinki（赫尔辛基大学）
Nonlinear independent component analysis (ICA) is a general framework for unsupervised representation learning, and aimed at recovering the latent variables in data. Recent practical methods perform nonlinear ICA by solving a series of classification problems based on logistic regression. However, it is well-known that logistic regression is vulnerable to outliers, and thus the performance can be strongly weakened by outliers. In this paper, we first theoretically analyze nonlinear ICA models in the presence of outliers. Our analysis implies that estimation in nonlinear ICA can be seriously ha…
Conditional Restricted Boltzmann Machines (CRBMs) are rich probabilistic models that have recently been applied to a wide range of problems, including collaborative filtering, classification, and modeling motion capture data. While much progress has been made in training non-conditional RBMs, these algorithms are not applicable to conditional models and there has been almost no work on training and generating predictions from conditional RBMs for structured output problems. We first argue that standard Contrastive Divergence-based learning may not be suitable for training CRBMs. We then identi…
$f$-MICL: Understanding and Generalizing InfoNCE-based Contrastive Learning
School of Computer Science（计算机科学学院）；University of Waterloo（滑铁卢大学）；Vector Institute（矢量研究院）；Huawei Noah’s Ark Lab（华为诺亚方舟实验室）；National Research Council Canada（加拿大国家研究委员会）；University of Ottawa（渥太华大学）
Microsoft Research（微软研究院）；University of Sydney（悉尼大学）
We present an efficient classical algorithm for training deep Boltzmann machines (DBMs) that uses rejection sampling in concert with variational approximations to estimate the gradients of the training objective function. Our algorithm is inspired by a recent quantum algorithm for training DBMs. We obtain rigorous bounds on the errors in the approximate gradients; in turn, we find that choosing the instrumental distribution to minimize the alpha=2 divergence with the Gibbs state minimizes the asymptotic algorithmic complexity. Our rejection sampling approach can yield more accurate gradients t…
Neural networks are commonly trained to make predictions through learning algorithms. Contrastive Hebbian learning, which is a powerful rule inspired by gradient backpropagation, is based on Hebb's rule and the contrastive divergence algorithm. It operates in two phases, the forward (or free) phase, where the data are fed to the network, and a backward (or clamped) phase, where the target signals are clamped to the output layer of the network and the feedback signals are transformed through the transpose synaptic weight matrices. This implies symmetries at the synaptic level, for which there i…
Qing Yuan Research Institute, Shanghai Jiao Tong University（上海交通大学清源研究院）；Huawei Noah’s Ark Lab（华为诺亚方舟实验室）；School of Mathematical Sciences, Peking University（北京大学数学科学学院）
Recently, self-supervised learning has attracted great attention, since it only requires unlabeled data for model training. Contrastive learning is one popular method for self-supervised learning and has achieved promising empirical performance. However, the theoretical understanding of its generalization ability is still limited. To this end, we define a kind of $(σ,δ)$-measure to mathematically quantify the data augmentation, and then provide an upper bound of the downstream classification error rate based on the measure. It reveals that the generalization ability of contrastive self-supervi…
The Gaussian-Bernoulli restricted Boltzmann machine (GB-RBM) is a useful generative model that captures meaningful features from the given $n$-dimensional continuous data. The difficulties associated with learning GB-RBM are reported extensively in earlier studies. They indicate that the training of the GB-RBM using the current standard algorithms, namely, contrastive divergence (CD) and persistent contrastive divergence (PCD), needs a carefully chosen small learning rate to avoid divergence which, in turn, results in slow learning. In this work, we alleviate such difficulties by showing that …
Department of EECS, MIT（麻省理工学院电子工程与计算机科学系）；Department of Computer Science, University of Rochester（罗切斯特大学计算机科学系）
The InfoNCE objective, originally introduced for contrastive representation learning, has become a popular choice for mutual information (MI) estimation, despite its indirect connection to MI. In this paper, we demonstrate why InfoNCE should not be regarded as a valid MI estimator, and we introduce a simple modification, which we refer to as InfoNCE-anchor, for accurate MI estimation. Our modification introduces an auxiliary anchor class, enabling consistent density ratio estimation and yielding a plug-in MI estimator with significantly reduced bias. Beyond this, we generalize our framework us…
Seoul National University（首尔国立大学）；Hyundai Motor Group（现代汽车集团）
Enhancing feature transferability by matching marginal distributions has led to improvements in domain adaptation, although this is at the expense of feature discrimination. In particular, the ideal joint hypothesis error in the target error upper bound, which was previously considered to be minute, has been found to be significant, impairing its theoretical guarantee. In this paper, we propose an alternative upper bound on the target error that explicitly considers the joint error to render it more manageable. With the theoretical analysis, we suggest a joint optimization framework that combi…
Laboratoire de Physique Statistique（统计物理实验室）；CNRS（法国国家科学研究中心）；École Normale Supérieure（巴黎高等师范学院）；PSL Research University（巴黎文理研究大学）；International Centre for Fundamental Physics and its interfaces at Ecole normale supérieure（巴黎高等师范学院基础物理及其交叉学科国际中心）；Sorbonne Universités（索邦大学联盟）；UPMC Univ Paris 06（巴黎第六大学（皮埃尔和玛丽·居里大学））
Restricted Boltzmann machines are undirected neural networks which have been shown to be effective in many applications, including serving as initializations for training deep multi-layer neural networks. One of the main reasons for their success is the existence of efficient and practical stochastic algorithms, such as contrastive divergence, for unsupervised training. We propose an alternative deterministic iterative procedure based on an improved mean field method from statistical physics known as the Thouless-Anderson-Palmer approach. We demonstrate that our algorithm provides performance …
Although stochastic approximation learning methods have been widely used in the machine learning literature for over 50 years, formal theoretical analyses of specific machine learning algorithms are less common because stochastic approximation theorems typically possess assumptions which are difficult to communicate and verify. This paper presents a new stochastic approximation theorem for state-dependent noise with easily verifiable assumptions applicable to the analysis and design of important deep learning algorithms including: adaptive learning, contrastive divergence learning, stochastic …
USTC（中国科学技术大学）；University of Leeds（利兹大学）；Beihang University（北京航空航天大学）；NERC-RPP, CAEIT（中国电子科技集团公司信息科学研究院国家电磁辐射控制工程技术研究中心）；Tsinghua University（清华大学）
Social bot detection is of paramount importance to the resilience and security of online social platforms. The state-of-the-art detection models are siloed and have largely overlooked a variety of data characteristics from multiple cross-lingual platforms. Meanwhile, the heterogeneity of data distribution and model architecture makes it intricate to devise an efficient cross-platform and cross-model detection framework. In this paper, we propose FedACK, a new federated adversarial contrastive knowledge distillation framework for social bot detection. We devise a GAN-based federated knowledge d…
