Aapo Hyvärinen

Aapo Hyvärinen, Ilyes Khemakhem, Ricardo Monti

An old problem in multivariate statistics is that linear Gaussian models are often unidentifiable, i.e. some parameters cannot be uniquely estimated. In factor (component) analysis, an orthogonal rotation of the factors is unidentifiable, while in linear regression, the direction of effect cannot be identified. For such linear models, non-Gaussianity of the (latent) variables has been shown to provide identifiability. In the case of factor analysis, this leads to independent component analysis, while in the case of the direction of effect, non-Gaussian versions of structural equation modelling solve the problem. More recently, we have shown how even general nonparametric nonlinear versions of such models can be estimated. Non-Gaussianity is not enough in this case, but assuming we have time series, or that the distributions are suitably modulated by some observed auxiliary variables, the models are identifiable. This paper reviews the identifiability theory for the linear and nonlinear cases, considering both factor analytic models and structural equation models.

Hiroshi Morioka, Aapo Hyvärinen

A topic of great current interest is Causal Representation Learning (CRL), whose goal is to learn a causal model for hidden features in a data-driven manner. Unfortunately, CRL is severely ill-posed since it is a combination of the two notoriously ill-posed problems of representation learning and causal discovery. Yet, finding practical identifiability conditions that guarantee a unique solution is crucial for its practical applicability. Most approaches so far have been based on assumptions on the latent causal mechanisms, such as temporal causality, or existence of supervision or interventions; these can be too restrictive in actual applications. Here, we show identifiability based on novel, weak constraints, which requires no temporal structure, intervention, nor weak supervision. The approach is based on assuming the observational mixing exhibits a suitable grouping of the observational variables. We also propose a novel self-supervised estimation framework consistent with the model, prove its statistical consistency, and experimentally show its superior CRL performances compared to the state-of-the-art baselines. We further demonstrate its robustness against latent confounders and causal cycles.

Aapo Hyvärinen

This book uses the modern theory of artificial intelligence (AI) to understand human suffering or mental pain. Both humans and sophisticated AI agents process information about the world in order to achieve goals and obtain rewards, which is why AI can be used as a model of the human brain and mind. This book intends to make the theory accessible to a relatively general audience, requiring only some relevant scientific background. The book starts with the assumption that suffering is mainly caused by frustration. Frustration means the failure of an agent (whether AI or human) to achieve a goal or a reward it wanted or expected. Frustration is inevitable because of the overwhelming complexity of the world, limited computational resources, and scarcity of good data. In particular, such limitations imply that an agent acting in the real world must cope with uncontrollability, unpredictability, and uncertainty, which all lead to frustration. Fundamental in such modelling is the idea of learning, or adaptation to the environment. While AI uses machine learning, humans and animals adapt by a combination of evolutionary mechanisms and ordinary learning. Even frustration is fundamentally an error signal that the system uses for learning. This book explores various aspects and limitations of learning algorithms and their implications regarding suffering. At the end of the book, the computational theory is used to derive various interventions or training methods that will reduce suffering in humans. The amount of frustration is expressed by a simple equation which indicates how it can be reduced. The ensuing interventions are very similar to those proposed by Buddhist and Stoic philosophy, and include mindfulness meditation. Therefore, this book can be interpreted as an exposition of a computational theory justifying why such philosophies and meditation reduce human suffering.

Hermanni Hälvä, Jonathan So, Richard E. Turner et al.

Recently, nonlinear ICA has surfaced as a popular alternative to the many heuristic models used in deep representation learning and disentanglement. An advantage of nonlinear ICA is that a sophisticated identifiability theory has been developed; in particular, it has been proven that the original components can be recovered under sufficiently strong latent dependencies. Despite this general theory, practical nonlinear ICA algorithms have so far been mainly limited to data with one-dimensional latent dependencies, especially time-series data. In this paper, we introduce a new nonlinear ICA framework that employs $t$-process (TP) latent components which apply naturally to data with higher-dimensional dependency structures, such as spatial and spatio-temporal data. In particular, we develop a new learning and inference algorithm that extends variational inference methods to handle the combination of a deep neural network mixing function with the TP prior, and employs the method of inducing points for computational efficacy. On the theoretical side, we show that such TP independent components are identifiable under very general conditions. Further, Gaussian Process (GP) nonlinear ICA is established as a limit of the TP Nonlinear ICA model, and we prove that the identifiability of the latent components at this GP limit is more restricted. Namely, those components are identifiable if and only if they have distinctly different covariance kernels. Our algorithm and identifiability theorems are explored on simulated spatial data and real world spatio-temporal data.

Hugo Richard, Luigi Gresele, Aapo Hyvärinen et al.

Group studies involving large cohorts of subjects are important to draw general conclusions about brain functional organization. However, the aggregation of data coming from multiple subjects is challenging, since it requires accounting for large variability in anatomy, functional topography and stimulus response across individuals. Data modeling is especially hard for ecologically relevant conditions such as movie watching, where the experimental setup does not imply well-defined cognitive operations. We propose a novel MultiView Independent Component Analysis (ICA) model for group studies, where data from each subject are modeled as a linear combination of shared independent sources plus noise. Contrary to most group-ICA procedures, the likelihood of the model is available in closed form. We develop an alternate quasi-Newton method for maximizing the likelihood, which is robust and converges quickly. We demonstrate the usefulness of our approach first on fMRI data, where our model demonstrates improved sensitivity in identifying common sources among subjects. Moreover, the sources recovered by our model exhibit lower between-session variability than other methods.On magnetoencephalography (MEG) data, our method yields more accurate source localization on phantom data. Applied on 200 subjects from the Cam-CAN dataset it reveals a clear sequence of evoked activity in sensor and source space. The code is freely available at https://github.com/hugorichard/multiviewica.

Hanlin Yu, Arto Klami, Aapo Hyvärinen et al.

Density ratio estimation in high dimensions can be reframed as integrating a certain quantity, the time score, over probability paths which interpolate between the two densities. In practice, the time score has to be estimated based on samples from the two densities. However, existing methods for this problem remain computationally expensive and can yield inaccurate estimates. Inspired by recent advances in generative modeling, we introduce a novel framework for time score estimation, based on a conditioning variable. Choosing the conditioning variable judiciously enables a closed-form objective function. We demonstrate that, compared to previous approaches, our approach results in faster learning of the time score and competitive or better estimation accuracies of the density ratio on challenging tasks. Furthermore, we establish theoretical guarantees on the error of the estimated density ratio.

Ambroise Heurtebise, Omar Chehab, Pierre Ablin et al.

Causal discovery is a difficult problem that typically relies on strong assumptions on the data-generating model, such as non-Gaussianity. In practice, many modern applications provide multiple related views of the same system, which has rarely been considered for causal discovery. Here, we leverage this multi-view structure to achieve causal discovery with weak assumptions. We propose a multi-view linear Structural Equation Model (SEM) that extends the well-known framework of non-Gaussian disturbances by alternatively leveraging correlation over views. We prove the identifiability of the model for acyclic SEMs. Subsequently, we propose several multi-view causal discovery algorithms, inspired by single-view algorithms (DirectLiNGAM, PairwiseLiNGAM, and ICA-LiNGAM). The new methods are validated through simulations and applications on neuroimaging data, where they enable the estimation of causal graphs between brain regions.

Antti Hyttinen, Vitória Barin-Pacela, Aapo Hyvärinen

We consider independent component analysis of binary data. While fundamental in practice, this case has been much less developed than ICA for continuous data. We start by assuming a linear mixing model in a continuous-valued latent space, followed by a binary observation model. Importantly, we assume that the sources are non-stationary; this is necessary since any non-Gaussianity would essentially be destroyed by the binarization. Interestingly, the model allows for closed-form likelihood by employing the cumulative distribution function of the multivariate Gaussian distribution. In stark contrast to the continuous-valued case, we prove non-identifiability of the model with few observed variables; our empirical results imply identifiability when the number of observed variables is higher. We present a practical method for binary ICA that uses only pairwise marginals, which are faster to compute than the full multivariate likelihood. Experiments give insight into the requirements for the number of observed variables, segments, and latent sources that allow the model to be estimated.

Hugo Richard, Pierre Ablin, Bertrand Thirion et al.

We consider shared response modeling, a multi-view learning problem where one wants to identify common components from multiple datasets or views. We introduce Shared Independent Component Analysis (ShICA) that models each view as a linear transform of shared independent components contaminated by additive Gaussian noise. We show that this model is identifiable if the components are either non-Gaussian or have enough diversity in noise variances. We then show that in some cases multi-set canonical correlation analysis can recover the correct unmixing matrices, but that even a small amount of sampling noise makes Multiset CCA fail. To solve this problem, we propose to use joint diagonalization after Multiset CCA, leading to a new approach called ShICA-J. We show via simulations that ShICA-J leads to improved results while being very fast to fit. While ShICA-J is based on second-order statistics, we further propose to leverage non-Gaussianity of the components using a maximum-likelihood method, ShICA-ML, that is both more accurate and more costly. Further, ShICA comes with a principled method for shared components estimation. Finally, we provide empirical evidence on fMRI and MEG datasets that ShICA yields more accurate estimation of the components than alternatives.

Hugo Richard, Pierre Ablin, Aapo Hyvärinen et al.

We consider a multi-view learning problem known as group independent component analysis (group ICA), where the goal is to recover shared independent sources from many views. The statistical modeling of this problem requires to take noise into account. When the model includes additive noise on the observations, the likelihood is intractable. By contrast, we propose Adaptive multiView ICA (AVICA), a noisy ICA model where each view is a linear mixture of shared independent sources with additive noise on the sources. In this setting, the likelihood has a tractable expression, which enables either direct optimization of the log-likelihood using a quasi-Newton method, or generalized EM. Importantly, we consider that the noise levels are also parameters that are learned from the data. This enables sources estimation with a closed-form Minimum Mean Squared Error (MMSE) estimator which weights each view according to its relative noise level. On synthetic data, AVICA yields better sources estimates than other group ICA methods thanks to its explicit MMSE estimator. On real magnetoencephalograpy (MEG) data, we provide evidence that the decomposition is less sensitive to sampling noise and that the noise variance estimates are biologically plausible. Lastly, on functional magnetic resonance imaging (fMRI) data, AVICA exhibits best performance in transferring information across views.

Ilyes Khemakhem, Ricardo Pio Monti, Robert Leech et al.

Two apparently unrelated fields -- normalizing flows and causality -- have recently received considerable attention in the machine learning community. In this work, we highlight an intrinsic correspondence between a simple family of autoregressive normalizing flows and identifiable causal models. We exploit the fact that autoregressive flow architectures define an ordering over variables, analogous to a causal ordering, to show that they are well-suited to performing a range of causal inference tasks, ranging from causal discovery to making interventional and counterfactual predictions. First, we show that causal models derived from both affine and additive autoregressive flows with fixed orderings over variables are identifiable, i.e. the true direction of causal influence can be recovered. This provides a generalization of the additive noise model well-known in causal discovery. Second, we derive a bivariate measure of causal direction based on likelihood ratios, leveraging the fact that flow models can estimate normalized log-densities of data. Third, we demonstrate that flows naturally allow for direct evaluation of both interventional and counterfactual queries, the latter case being possible due to the invertible nature of flows. Finally, throughout a series of experiments on synthetic and real data, the proposed method is shown to outperform current approaches for causal discovery as well as making accurate interventional and counterfactual predictions.

Hubert Banville, Omar Chehab, Aapo Hyvärinen et al.

Objective. Supervised learning paradigms are often limited by the amount of labeled data that is available. This phenomenon is particularly problematic in clinically-relevant data, such as electroencephalography (EEG), where labeling can be costly in terms of specialized expertise and human processing time. Consequently, deep learning architectures designed to learn on EEG data have yielded relatively shallow models and performances at best similar to those of traditional feature-based approaches. However, in most situations, unlabeled data is available in abundance. By extracting information from this unlabeled data, it might be possible to reach competitive performance with deep neural networks despite limited access to labels. Approach. We investigated self-supervised learning (SSL), a promising technique for discovering structure in unlabeled data, to learn representations of EEG signals. Specifically, we explored two tasks based on temporal context prediction as well as contrastive predictive coding on two clinically-relevant problems: EEG-based sleep staging and pathology detection. We conducted experiments on two large public datasets with thousands of recordings and performed baseline comparisons with purely supervised and hand-engineered approaches. Main results. Linear classifiers trained on SSL-learned features consistently outperformed purely supervised deep neural networks in low-labeled data regimes while reaching competitive performance when all labels were available. Additionally, the embeddings learned with each method revealed clear latent structures related to physiological and clinical phenomena, such as age effects. Significance. We demonstrate the benefit of self-supervised learning approaches on EEG data. Our results suggest that SSL may pave the way to a wider use of deep learning models on EEG data.

Luigi Gresele, Giancarlo Fissore, Adrián Javaloy et al.

Learning expressive probabilistic models correctly describing the data is a ubiquitous problem in machine learning. A popular approach for solving it is mapping the observations into a representation space with a simple joint distribution, which can typically be written as a product of its marginals -- thus drawing a connection with the field of nonlinear independent component analysis. Deep density models have been widely used for this task, but their maximum likelihood based training requires estimating the log-determinant of the Jacobian and is computationally expensive, thus imposing a trade-off between computation and expressive power. In this work, we propose a new approach for exact training of such neural networks. Based on relative gradients, we exploit the matrix structure of neural network parameters to compute updates efficiently even in high-dimensional spaces; the computational cost of the training is quadratic in the input size, in contrast with the cubic scaling of naive approaches. This allows fast training with objective functions involving the log-determinant of the Jacobian, without imposing constraints on its structure, in stark contrast to autoregressive normalizing flows.

Hermanni Hälvä, Aapo Hyvärinen

Recent advances in nonlinear Independent Component Analysis (ICA) provide a principled framework for unsupervised feature learning and disentanglement. The central idea in such works is that the latent components are assumed to be independent conditional on some observed auxiliary variables, such as the time-segment index. This requires manual segmentation of data into non-stationary segments which is computationally expensive, inaccurate and often impossible. These models are thus not fully unsupervised. We remedy these limitations by combining nonlinear ICA with a Hidden Markov Model, resulting in a model where a latent state acts in place of the observed segment-index. We prove identifiability of the proposed model for a general mixing nonlinearity, such as a neural network. We also show how maximum likelihood estimation of the model can be done using the expectation-maximization algorithm. Thus, we achieve a new nonlinear ICA framework which is unsupervised, more efficient, as well as able to model underlying temporal dynamics.

Hiroshi Morioka, Hermanni Hälvä, Aapo Hyvärinen

The nonlinear vector autoregressive (NVAR) model provides an appealing framework to analyze multivariate time series obtained from a nonlinear dynamical system. However, the innovation (or error), which plays a key role by driving the dynamics, is almost always assumed to be additive. Additivity greatly limits the generality of the model, hindering analysis of general NVAR processes which have nonlinear interactions between the innovations. Here, we propose a new general framework called independent innovation analysis (IIA), which estimates the innovations from completely general NVAR. We assume mutual independence of the innovations as well as their modulation by an auxiliary variable (which is often taken as the time index and simply interpreted as nonstationarity). We show that IIA guarantees the identifiability of the innovations with arbitrary nonlinearities, up to a permutation and component-wise invertible nonlinearities. We also propose three estimation frameworks depending on the type of the auxiliary variable. We thus provide the first rigorous identifiability result for general NVAR, as well as very general tools for learning such models.

Ilyes Khemakhem, Ricardo Pio Monti, Diederik P. Kingma et al.

We consider the identifiability theory of probabilistic models and establish sufficient conditions under which the representations learned by a very broad family of conditional energy-based models are unique in function space, up to a simple transformation. In our model family, the energy function is the dot-product between two feature extractors, one for the dependent variable, and one for the conditioning variable. We show that under mild conditions, the features are unique up to scaling and permutation. Our results extend recent developments in nonlinear ICA, and in fact, they lead to an important generalization of ICA models. In particular, we show that our model can be used for the estimation of the components in the framework of Independently Modulated Component Analysis (IMCA), a new generalization of nonlinear ICA that relaxes the independence assumption. A thorough empirical study shows that representations learned by our model from real-world image datasets are identifiable, and improve performance in transfer learning and semi-supervised learning tasks.

Hubert Banville, Isabela Albuquerque, Aapo Hyvärinen et al.

The supervised learning paradigm is limited by the cost - and sometimes the impracticality - of data collection and labeling in multiple domains. Self-supervised learning, a paradigm which exploits the structure of unlabeled data to create learning problems that can be solved with standard supervised approaches, has shown great promise as a pretraining or feature learning approach in fields like computer vision and time series processing. In this work, we present self-supervision strategies that can be used to learn informative representations from multivariate time series. One successful approach relies on predicting whether time windows are sampled from the same temporal context or not. As demonstrated on a clinically relevant task (sleep scoring) and with two electroencephalography datasets, our approach outperforms a purely supervised approach in low data regimes, while capturing important physiological information without any access to labels.

Hiroaki Sasaki, Takashi Takenouchi, Ricardo Monti et al.

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 hampered when outliers exist on the tails of the (noncontaminated) target density, which happens in a typical case of contamination by outliers. We develop two robust nonlinear ICA methods based on the γ-divergence, which is a robust alternative to the KL-divergence in logistic regression. The proposed methods are shown to have desired robustness properties in the context of nonlinear ICA. We also experimentally demonstrate that the proposed methods are very robust and outperform existing methods in the presence of outliers. Finally, the proposed method is applied to ICA-based causal discovery and shown to find a plausible causal relationship on fMRI data.

Wenkai Xu, Gang Niu, Aapo Hyvärinen et al.

Summarizing large-scaled directed graphs into small-scale representations is a useful but less studied problem setting. Conventional clustering approaches, which based on "Min-Cut"-style criteria, compress both the vertices and edges of the graph into the communities, that lead to a loss of directed edge information. On the other hand, compressing the vertices while preserving the directed edge information provides a way to learn the small-scale representation of a directed graph. The reconstruction error, which measures the edge information preserved by the summarized graph, can be used to learn such representation. Compared to the original graphs, the summarized graphs are easier to analyze and are capable of extracting group-level features which is useful for efficient interventions of population behavior. In this paper, we present a model, based on minimizing reconstruction error with non-negative constraints, which relates to a "Max-Cut" criterion that simultaneously identifies the compressed nodes and the directed compressed relations between these nodes. A multiplicative update algorithm with column-wise normalization is proposed. We further provide theoretical results on the identifiability of the model and on the convergence of the proposed algorithms. Experiments are conducted to demonstrate the accuracy and robustness of the proposed method.

Ilyes Khemakhem, Diederik P. Kingma, Ricardo Pio Monti et al.

The framework of variational autoencoders allows us to efficiently learn deep latent-variable models, such that the model's marginal distribution over observed variables fits the data. Often, we're interested in going a step further, and want to approximate the true joint distribution over observed and latent variables, including the true prior and posterior distributions over latent variables. This is known to be generally impossible due to unidentifiability of the model. We address this issue by showing that for a broad family of deep latent-variable models, identification of the true joint distribution over observed and latent variables is actually possible up to very simple transformations, thus achieving a principled and powerful form of disentanglement. Our result requires a factorized prior distribution over the latent variables that is conditioned on an additionally observed variable, such as a class label or almost any other observation. We build on recent developments in nonlinear ICA, which we extend to the case with noisy, undercomplete or discrete observations, integrated in a maximum likelihood framework. The result also trivially contains identifiable flow-based generative models as a special case.

Hiroaki Sasaki, Aapo Hyvärinen

Conditional density estimation is a general framework for solving various problems in machine learning. Among existing methods, non-parametric and/or kernel-based methods are often difficult to use on large datasets, while methods based on neural networks usually make restrictive parametric assumptions on the probability densities. Here, we propose a novel method for estimating the conditional density based on score matching. In contrast to existing methods, we employ scalable neural networks, but do not make explicit parametric assumptions on densities. The key challenge in applying score matching to neural networks is computation of the first- and second-order derivatives of a model for the log-density. We tackle this challenge by developing a new neural-kernelized approach, which can be applied on large datasets with stochastic gradient descent, while the reproducing kernels allow for easy computation of the derivatives needed in score matching. We show that the neural-kernelized function approximator has universal approximation capability and that our method is consistent in conditional density estimation. We numerically demonstrate that our method is useful in high-dimensional conditional density estimation, and compares favourably with existing methods. Finally, we prove that the proposed method has interesting connections to two probabilistically principled frameworks of representation learning: Nonlinear sufficient dimension reduction and nonlinear independent component analysis.

Ricardo Pio Monti, Aapo Hyvärinen

Connectivity estimation is challenging in the context of high-dimensional data. A useful preprocessing step is to group variables into clusters, however, it is not always clear how to do so from the perspective of connectivity estimation. Another practical challenge is that we may have data from multiple related classes (e.g., multiple subjects or conditions) and wish to incorporate constraints on the similarities across classes. We propose a probabilistic model which simultaneously performs both a grouping of variables (i.e., detecting community structure) and estimation of connectivities between the groups which correspond to latent variables. The model is essentially a factor analysis model where the factors are allowed to have arbitrary correlations, while the factor loading matrix is constrained to express a community structure. The model can be applied on multiple classes so that the connectivities can be different between the classes, while the community structure is the same for all classes. We propose an efficient estimation algorithm based on score matching, and prove the identifiability of the model. Finally, we present an extension to directed (causal) connectivities over latent variables. Simulations and experiments on fMRI data validate the practical utility of the method.

Saeed Saremi, Arash Mehrjou, Bernhard Schölkopf et al.

Density estimation is a fundamental problem in statistical learning. This problem is especially challenging for complex high-dimensional data due to the curse of dimensionality. A promising solution to this problem is given here in an inference-free hierarchical framework that is built on score matching. We revisit the Bayesian interpretation of the score function and the Parzen score matching, and construct a multilayer perceptron with a scalable objective for learning the energy (i.e. the unnormalized log-density), which is then optimized with stochastic gradient descent. In addition, the resulting deep energy estimator network (DEEN) is designed as products of experts. We present the utility of DEEN in learning the energy, the score function, and in single-step denoising experiments for synthetic and high-dimensional data. We also diagnose stability problems in the direct estimation of the score function that had been observed for denoising autoencoders.

Hiroaki Sasaki, Takafumi Kanamori, Aapo Hyvärinen et al.

Modes and ridges of the probability density function behind observed data are useful geometric features. Mode-seeking clustering assigns cluster labels by associating data samples with the nearest modes, and estimation of density ridges enables us to find lower-dimensional structures hidden in data. A key technical challenge both in mode-seeking clustering and density ridge estimation is accurate estimation of the ratios of the first- and second-order density derivatives to the density. A naive approach takes a three-step approach of first estimating the data density, then computing its derivatives, and finally taking their ratios. However, this three-step approach can be unreliable because a good density estimator does not necessarily mean a good density derivative estimator, and division by the estimated density could significantly magnify the estimation error. To cope with these problems, we propose a novel estimator for the \emph{density-derivative-ratios}. The proposed estimator does not involve density estimation, but rather \emph{directly} approximates the ratios of density derivatives of any order. Moreover, we establish a convergence rate of the proposed estimator. Based on the proposed estimator, novel methods both for mode-seeking clustering and density ridge estimation are developed, and the respective convergence rates to the mode and ridge of the underlying density are also established. Finally, we experimentally demonstrate that the developed methods significantly outperform existing methods, particularly for relatively high-dimensional data.

Hiroaki Sasaki, Michael U. Gutmann, Hayaru Shouno et al.

The statistical dependencies which independent component analysis (ICA) cannot remove often provide rich information beyond the linear independent components. It would thus be very useful to estimate the dependency structure from data. While such models have been proposed, they usually concentrated on higher-order correlations such as energy (square) correlations. Yet, linear correlations are a most fundamental and informative form of dependency in many real data sets. Linear correlations are usually completely removed by ICA and related methods, so they can only be analyzed by developing new methods which explicitly allow for linearly correlated components. In this paper, we propose a probabilistic model of linear non-Gaussian components which are allowed to have both linear and energy correlations. The precision matrix of the linear components is assumed to be randomly generated by a higher-order process and explicitly parametrized by a parameter matrix. The estimation of the parameter matrix is shown to be particularly simple because using score matching, the objective function is a quadratic form. Using simulations with artificial data, we demonstrate that the proposed method improves identifiability of non-Gaussian components by simultaneously learning their correlation structure. Applications on simulated complex cells with natural image input, as well as spectrograms of natural audio data show that the method finds new kinds of dependencies between the components.

Hiroaki Sasaki, Aapo Hyvärinen, Masashi Sugiyama

Mean shift clustering finds the modes of the data probability density by identifying the zero points of the density gradient. Since it does not require to fix the number of clusters in advance, the mean shift has been a popular clustering algorithm in various application fields. A typical implementation of the mean shift is to first estimate the density by kernel density estimation and then compute its gradient. However, since good density estimation does not necessarily imply accurate estimation of the density gradient, such an indirect two-step approach is not reliable. In this paper, we propose a method to directly estimate the gradient of the log-density without going through density estimation. The proposed method gives the global solution analytically and thus is computationally efficient. We then develop a mean-shift-like fixed-point algorithm to find the modes of the density for clustering. As in the mean shift, one does not need to set the number of clusters in advance. We empirically show that the proposed clustering method works much better than the mean shift especially for high-dimensional data. Experimental results further indicate that the proposed method outperforms existing clustering methods.

Bharath Sriperumbudur, Kenji Fukumizu, Arthur Gretton et al.

In this paper, we consider an infinite dimensional exponential family, $\mathcal{P}$ of probability densities, which are parametrized by functions in a reproducing kernel Hilbert space, $H$ and show it to be quite rich in the sense that a broad class of densities on $\mathbb{R}^d$ can be approximated arbitrarily well in Kullback-Leibler (KL) divergence by elements in $\mathcal{P}$. The main goal of the paper is to estimate an unknown density, $p_0$ through an element in $\mathcal{P}$. Standard techniques like maximum likelihood estimation (MLE) or pseudo MLE (based on the method of sieves), which are based on minimizing the KL divergence between $p_0$ and $\mathcal{P}$, do not yield practically useful estimators because of their inability to efficiently handle the log-partition function. Instead, we propose an estimator, $\hat{p}_n$ based on minimizing the \emph{Fisher divergence}, $J(p_0\Vert p)$ between $p_0$ and $p\in \mathcal{P}$, which involves solving a simple finite-dimensional linear system. When $p_0\in\mathcal{P}$, we show that the proposed estimator is consistent, and provide a convergence rate of $n^{-\min\left\{\frac{2}{3},\frac{2β+1}{2β+2}\right\}}$ in Fisher divergence under the smoothness assumption that $\log p_0\in\mathcal{R}(C^β)$ for some $β\ge 0$, where $C$ is a certain Hilbert-Schmidt operator on $H$ and $\mathcal{R}(C^β)$ denotes the image of $C^β$. We also investigate the misspecified case of $p_0\notin\mathcal{P}$ and show that $J(p_0\Vert\hat{p}_n)\rightarrow \inf_{p\in\mathcal{P}}J(p_0\Vert p)$ as $n\rightarrow\infty$, and provide a rate for this convergence under a similar smoothness condition as above. Through numerical simulations we demonstrate that the proposed estimator outperforms the non-parametric kernel density estimator, and that the advantage with the proposed estimator grows as $d$ increases.