Frank Nielsen

Wu Lin, Valentin Duruisseaux, Melvin Leok et al.

Riemannian submanifold optimization with momentum is computationally challenging because, to ensure that the iterates remain on the submanifold, we often need to solve difficult differential equations. Here, we simplify such difficulties for a class of sparse or structured symmetric positive-definite matrices with the affine-invariant metric. We do so by proposing a generalized version of the Riemannian normal coordinates that dynamically orthonormalizes the metric and locally converts the problem into an unconstrained problem in the Euclidean space. We use our approach to simplify existing approaches for structured covariances and develop matrix-inverse-free $2^\text{nd}$-order optimizers for deep learning with low precision by using only matrix multiplications. Code: https://github.com/yorkerlin/StructuredNGD-DL

Frank Nielsen

We present a simple method to approximate Rao's distance between multivariate normal distributions based on discretizing curves joining normal distributions and approximating Rao's distances between successive nearby normal distributions on the curves by the square root of Jeffreys divergence, the symmetrized Kullback-Leibler divergence. We consider experimentally the linear interpolation curves in the ordinary, natural and expectation parameterizations of the normal distributions, and compare these curves with a curve derived from the Calvo and Oller's isometric embedding of the Fisher-Rao $d$-variate normal manifold into the cone of $(d+1)\times (d+1)$ symmetric positive-definite matrices [Journal of multivariate analysis 35.2 (1990): 223-242]. We report on our experiments and assess the quality of our approximation technique by comparing the numerical approximations with both lower and upper bounds. Finally, we present several information-geometric properties of the Calvo and Oller's isometric embedding.

Ehsan Amid, Frank Nielsen, Richard Nock et al.

In the field of optimal transport, two prominent subfields face each other: (i) unregularized optimal transport, "à-la-Kantorovich", which leads to extremely sparse plans but with algorithms that scale poorly, and (ii) entropic-regularized optimal transport, "à-la-Sinkhorn-Cuturi", which gets near-linear approximation algorithms but leads to maximally un-sparse plans. In this paper, we show that an extension of the latter to tempered exponential measures, a generalization of exponential families with indirect measure normalization, gets to a very convenient middle ground, with both very fast approximation algorithms and sparsity, which is under control up to sparsity patterns. In addition, our formulation fits naturally in the unbalanced optimal transport problem setting.

Frank Nielsen, Ke Sun

A key technique of machine learning and computer vision is to embed discrete weighted graphs into continuous spaces for further downstream processing. Embedding discrete hierarchical structures in hyperbolic geometry has proven very successful since it was shown that any weighted tree can be embedded in that geometry with arbitrary low distortion. Various optimization methods for hyperbolic embeddings based on common models of hyperbolic geometry have been studied. In this paper, we consider Hilbert geometry for the standard simplex which is isometric to a vector space equipped with the variation polytope norm. We study the representation power of this Hilbert simplex geometry by embedding distance matrices of graphs. Our findings demonstrate that Hilbert simplex geometry is competitive to alternative geometries such as the Poincaré hyperbolic ball or the Euclidean geometry for embedding tasks while being fast and numerically robust.

Ehsan Amid, Frank Nielsen, Richard Nock et al.

Tempered Exponential Measures (TEMs) are a parametric generalization of the exponential family of distributions maximizing the tempered entropy function among positive measures subject to a probability normalization of their power densities. Calculus on TEMs relies on a deformed algebra of arithmetic operators induced by the deformed logarithms used to define the tempered entropy. In this work, we introduce three different parameterizations of finite discrete TEMs via Legendre functions of the negative tempered entropy function. In particular, we establish an isometry between such parameterizations in terms of a generalization of the Hilbert log cross-ratio simplex distance to a tempered Hilbert co-simplex distance. Similar to the Hilbert geometry, the tempered Hilbert distance is characterized as a $t$-symmetrization of the oriented tempered Funk distance. We motivate our construction by introducing the notion of $t$-lengths of smooth curves in a tautological Finsler manifold. We then demonstrate the properties of our generalized structure in different settings and numerically examine the quality of its differentiable approximations for optimization in machine learning settings.

Frank Nielsen

Data sets of multivariate normal distributions abound in many scientific areas like diffusion tensor imaging, structure tensor computer vision, radar signal processing, machine learning, just to name a few. In order to process those normal data sets for downstream tasks like filtering, classification or clustering, one needs to define proper notions of dissimilarities between normals and paths joining them. The Fisher-Rao distance defined as the Riemannian geodesic distance induced by the Fisher information metric is such a principled metric distance which however is not known in closed-form excepts for a few particular cases. In this work, we first report a fast and robust method to approximate arbitrarily finely the Fisher-Rao distance between multivariate normal distributions. Second, we introduce a class of distances based on diffeomorphic embeddings of the normal manifold into a submanifold of the higher-dimensional symmetric positive-definite cone corresponding to the manifold of centered normal distributions. We show that the projective Hilbert distance on the cone yields a metric on the embedded normal submanifold and we pullback that cone distance with its associated straight line Hilbert cone geodesics to obtain a distance and smooth paths between normal distributions. Compared to the Fisher-Rao distance approximation, the pullback Hilbert cone distance is computationally light since it requires to compute only the extreme minimal and maximal eigenvalues of matrices. Finally, we show how to use those distances in clustering tasks.

Andrea Pasquale, Daniel Krefl, Stefano Carrazza et al.

The estimation of probability density functions is a non trivial task that over the last years has been tackled with machine learning techniques. Successful applications can be obtained using models inspired by the Boltzmann machine (BM) architecture. In this manuscript, the product Jacobi-Theta Boltzmann machine (pJTBM) is introduced as a restricted version of the Riemann-Theta Boltzmann machine (RTBM) with diagonal hidden sector connection matrix. We show that score matching, based on the Fisher divergence, can be used to fit probability densities with the pJTBM more efficiently than with the original RTBM.

Pascal Mattia Esser, Frank Nielsen

A common way to learn and analyze statistical models is to consider operations in the model parameter space. But what happens if we optimize in the parameter space and there is no one-to-one mapping between the parameter space and the underlying statistical model space? Such cases frequently occur for hierarchical models which include statistical mixtures or stochastic neural networks, and these models are said to be singular. Singular models reveal several important and well-studied problems in machine learning like the decrease in convergence speed of learning trajectories due to attractor behaviors. In this work, we propose a relative reparameterization technique of the parameter space, which yields a general method for extracting regular submodels from singular models. Our method enforces model identifiability during training and we study the learning dynamics for gradient descent and expectation maximization for Gaussian Mixture Models (GMMs) under relative parameterization, showing faster experimental convergence and a improved manifold shape of the dynamics around the singularity. Extending the analysis beyond GMMs, we furthermore analyze the Fisher information matrix under relative reparameterization and its influence on the generalization error, and show how the method can be applied to more complex models like deep neural networks.

Jacek Karwowski, Frank Nielsen

Symmetric positive-definite (SPD) matrix datasets play a central role across numerous scientific disciplines, including signal processing, statistics, finance, computer vision, information theory, and machine learning among others. The set of SPD matrices forms a cone which can be viewed as a global coordinate chart of the underlying SPD manifold. Rich differential-geometric structures may be defined on the SPD cone manifold. Among the most widely used geometric frameworks on this manifold are the affine-invariant Riemannian structure and the dual information-geometric log-determinant barrier structure, each associated with dissimilarity measures (distance and divergence, respectively). In this work, we introduce two new structures, a Finslerian structure and a dual information-geometric structure, both derived from James' bicone reparameterization of the SPD domain. Those structures ensure that geodesics correspond to straight lines in appropriate coordinate systems. The closed bicone domain includes the spectraplex (the set of positive semi-definite diagonal matrices with unit trace) as an affine subspace, and the Hilbert VPM distance is proven to generalize the Hilbert simplex distance which found many applications in machine learning. Finally, we discuss several applications of these Finsler/dual Hessian structures and provide various inequalities between the new and traditional dissimilarities.

Rob Brekelmans, Frank Nielsen

Markov Chain Monte Carlo methods for sampling from complex distributions and estimating normalization constants often simulate samples from a sequence of intermediate distributions along an annealing path, which bridges between a tractable initial distribution and a target density of interest. Prior works have constructed annealing paths using quasi-arithmetic means, and interpreted the resulting intermediate densities as minimizing an expected divergence to the endpoints. To analyze these variational representations of annealing paths, we extend known results showing that the arithmetic mean over arguments minimizes the expected Bregman divergence to a single representative point. In particular, we obtain an analogous result for quasi-arithmetic means, when the inputs to the Bregman divergence are transformed under a monotonic embedding function. Our analysis highlights the interplay between quasi-arithmetic means, parametric families, and divergence functionals using the rho-tau representational Bregman divergence framework, and associates common divergence functionals with intermediate densities along an annealing path.

Alexandre Luís Magalhães Levada, Frank Nielsen, Michel Ferreira Cardia Haddad

The $k$-nearest neighbor ($k$-NN) algorithm is one of the most popular methods for nonparametric classification. However, a relevant limitation concerns the definition of the number of neighbors $k$. This parameter exerts a direct impact on several properties of the classifier, such as the bias-variance tradeoff, smoothness of decision boundaries, robustness to noise, and class imbalance handling. In the present paper, we introduce a new adaptive $k$-nearest neighbours ($kK$-NN) algorithm that explores the local curvature at a sample to adaptively defining the neighborhood size. The rationale is that points with low curvature could have larger neighborhoods (locally, the tangent space approximates well the underlying data shape), whereas points with high curvature could have smaller neighborhoods (locally, the tangent space is a loose approximation). We estimate the local Gaussian curvature by computing an approximation to the local shape operator in terms of the local covariance matrix as well as the local Hessian matrix. Results on many real-world datasets indicate that the new $kK$-NN algorithm yields superior balanced accuracy compared to the established $k$-NN method and also another adaptive $k$-NN algorithm. This is particularly evident when the number of samples in the training data is limited, suggesting that the $kK$-NN is capable of learning more discriminant functions with less data considering many relevant cases.

Frank Nielsen, Alexander Soen

A Bregman manifold is a synonym for a dually flat space in information geometry which admits as a canonical divergence a Bregman divergence. Bregman manifolds are induced by smooth strictly convex functions like the cumulant or partition functions of regular exponential families, the negative entropy of mixture families, or the characteristic functions of regular cones just to list a few such convex Bregman generators. We describe the design of pyBregMan, a library which implements generic operations on Bregman manifolds and instantiate several common Bregman manifolds used in information sciences. At the core of the library is the notion of Legendre-Fenchel duality inducing a canonical pair of dual potential functions and dual Bregman divergences. The library also implements the Fisher-Rao manifolds of categorical/multinomial distributions and multivariate normal distributions. To demonstrate the use of the pyBregMan kernel manipulating those Bregman and Fisher-Rao manifolds, the library also provides several core algorithms for various applications in statistics, machine learning, information fusion, and so on.

Frank Nielsen

We present a generalization of Bregman divergences in symplectic vector spaces that we term symplectic Bregman divergences. Symplectic Bregman divergences are derived from a symplectic generalization of the Fenchel-Young inequality which relies on the notion of symplectic subdifferentials. The symplectic Fenchel-Young inequality is obtained using the symplectic Fenchel transform which is defined with respect to the symplectic form. Since symplectic forms can be generically built from pairings of dual systems, we get a generalization of Bregman divergences in dual systems obtained by equivalent symplectic Bregman divergences. In particular, when the symplectic form is derived from an inner product, we show that the corresponding symplectic Bregman divergences amount to ordinary Bregman divergences with respect to composite inner products. Some potential applications of symplectic divergences in geometric mechanics, information geometry, and learning dynamics in machine learning are touched upon.

Russell Tsuchida, Frank Nielsen

Bregman divergences play a pivotal role in statistics, machine learning and computational information geometry. Particularly in the context of machine learning, they are central to clustering, exponential families, parameter estimation and optimisation, among other things. Despite this, the full toolkit of Hilbert spaces and in particular reproducing kernel Hilbert spaces have not been systematically developed and applied to functional Bregman divergences, where points are functions rather than finite-dimensional parameter vectors. While other types of functional Bregman divergences have been studied, these are typically in a Banach space rather than more directly aligned with kernel methods and Hilbert-space geometry commonly used in machine learning. We consider functional Bregman divergences on a Hilbert space, where the self-dual pairing and Riesz representer afford us particularly convenient calculus. Further specialising Bregman generators as a composition involving a kernel mean embedding makes such divergences easy to estimate. We discuss applications in clustering, universal estimation, robust estimation and generative modelling, and contrast our approach with other types of Bregman divergences.

Frank Nielsen

The Fisher-Rao distance between two probability distributions of a statistical model is defined as the Riemannian geodesic distance induced by the Fisher information metric. In order to calculate the Fisher-Rao distance in closed-form, we need (1) to elicit a formula for the Fisher-Rao geodesics, and (2) to integrate the Fisher length element along those geodesics. We consider several numerically robust approximation and bounding techniques for the Fisher-Rao distances: First, we report generic upper bounds on Fisher-Rao distances based on closed-form 1D Fisher-Rao distances of submodels. Second, we describe several generic approximation schemes depending on whether the Fisher-Rao geodesics or pregeodesics are available in closed-form or not. In particular, we obtain a generic method to guarantee an arbitrarily small additive error on the approximation provided that Fisher-Rao pregeodesics and tight lower and upper bounds are available. Third, we consider the case of Fisher metrics being Hessian metrics, and report generic tight upper bounds on the Fisher-Rao distances using techniques of information geometry. Uniparametric and biparametric statistical models always have Fisher Hessian metrics, and in general a simple test allows to check whether the Fisher information matrix yields a Hessian metric or not. Fourth, we consider elliptical distribution families and show how to apply the above techniques to these models. We also propose two new distances based either on the Fisher-Rao lengths of curves serving as proxies of Fisher-Rao geodesics, or based on the Birkhoff/Hilbert projective cone distance. Last, we consider an alternative group-theoretic approach for statistical transformation models based on the notion of maximal invariant which yields insights on the structures of the Fisher-Rao distance formula which may be used fruitfully in applications.

Frank Nielsen

Exponential families are statistical models which are the workhorses in statistics, information theory, and machine learning among others. An exponential family can either be normalized subtractively by its cumulant or free energy function or equivalently normalized divisively by its partition function. Both subtractive and divisive normalizers are strictly convex and smooth functions inducing pairs of Bregman and Jensen divergences. It is well-known that skewed Bhattacharryya distances between probability densities of an exponential family amounts to skewed Jensen divergences induced by the cumulant function between their corresponding natural parameters, and in limit cases that the sided Kullback-Leibler divergences amount to reverse-sided Bregman divergences. In this paper, we first show that the $α$-divergences between unnormalized densities of an exponential family amounts to scaled $α$-skewed Jensen divergences induced by the partition function. We then show how comparative convexity with respect to a pair of quasi-arithmetic means allows to deform both convex functions and their arguments, and thereby define dually flat spaces with corresponding divergences when ordinary convexity is preserved.

Frank Nielsen

The geometric Jensen--Shannon divergence (G-JSD) gained popularity in machine learning and information sciences thanks to its closed-form expression between Gaussian distributions. In this work, we introduce an alternative definition of the geometric Jensen--Shannon divergence tailored to positive densities which does not normalize geometric mixtures. This novel divergence is termed the extended G-JSD as it applies to the more general case of positive measures. We report explicitly the gap between the extended G-JSD and the G-JSD when considering probability densities, and show how to express the G-JSD and extended G-JSD using the Jeffreys divergence and the Bhattacharyya distance or Bhattacharyya coefficient. The extended G-JSD is proven to be a $f$-divergence which is a separable divergence satisfying information monotonicity and invariance in information geometry. We derive corresponding closed-form formula for the two types of G-JSDs when considering the case of multivariate Gaussian distributions often met in applications. We consider Monte Carlo stochastic estimations and approximations of the two types of G-JSD using the projective $γ$-divergences. Although the square root of the JSD yields a metric distance, we show that this is not anymore the case for the two types of G-JSD. Finally, we explain how these two types of geometric JSDs can be interpreted as regularizations of the ordinary JSD.

Frank Nielsen

By analogy to curved exponential families in statistics, we define curved Bregman divergences as Bregman divergences restricted to nonlinear parameter subspaces. We show that the barycenter of a finite weighted set of parameters under a curved Bregman divergence amounts to the right Bregman projection onto the nonlinear subspace of the barycenter with respect to the full Bregman divergence. We demonstrate the significance of curved Bregman divergences with two examples: (1) symmetrized Bregman divergences and (2) the Kullback-Leibler divergence between circular complex normal distributions. We then consider monotonic embeddings to define representational curved Bregman divergences and show that the $α$-divergences are representational curved Bregman divergences with respect to $α$-embeddings of the probability simplex into the positive measure cone. As an application, we report an efficient method to calculate the intersection of a finite set of $α$-divergence spheres.

Frank Nielsen

The symmetric Kullback-Leibler centroid also called the Jeffreys centroid of a set of mutually absolutely continuous probability distributions on a measure space provides a notion of centrality which has proven useful in many tasks including information retrieval, information fusion, and clustering in image, video and sound processing. However, the Jeffreys centroid is not available in closed-form for sets of categorical or normal distributions, two widely used statistical models, and thus need to be approximated numerically in practice. In this paper, we first propose the new Jeffreys-Fisher-Rao center defined as the Fisher-Rao midpoint of the sided Kullback-Leibler centroids as a plug-in replacement of the Jeffreys centroid. This Jeffreys-Fisher-Rao center admits a generic formula for uni-parameter exponential family distributions, and closed-form formula for categorical and normal distributions, matches exactly the Jeffreys centroid for same-mean normal distributions, and is experimentally observed in practice to be close to the Jeffreys centroid. Second, we define a new type of inductive centers generalizing the principle of Gauss arithmetic-geometric double sequence mean for pairs of densities of any given exponential family. This center is shown experimentally to approximate very well the Jeffreys centroid and is suggested to use when the Jeffreys-Fisher-Rao center is not available in closed form. Moreover, this Gauss-Bregman inductive center always converges and matches the Jeffreys centroid for sets of same-mean normal distributions. We report on our experiments demonstrating the use of the Jeffreys-Fisher-Rao and Gauss-Bregman centers instead of the Jeffreys centroid. Finally, we conclude this work by reinterpreting these fast proxy centers of Jeffreys centroids under the lens of dually flat spaces in information geometry.

Frank Nielsen, Basile Plus-Gourdon, Mahito Sugiyama

Polarity is a fundamental reciprocal duality of $n$-dimensional projective geometry which associates to points polar hyperplanes, and more generally $k$-dimensional convex bodies to polar $(n-1-k)$-dimensional convex bodies. It is well-known that the Legendre-Fenchel transformation of functions can be interpreted from the polarity viewpoint of their graphs using an extra dimension. In this paper, we first show that generic polarities induced by quadratic polarity functionals can be expressed either as deformed Legendre polarity or as the Legendre polarity of deformed convex bodies, and be efficiently manipulated using linear algebra on $(n+2)\times (n+2)$ matrices operating on homogeneous coordinates. Second, we define polar divergences using the Legendre polarity and show that they generalize the Fenchel-Young divergence or equivalent Bregman divergence. This polarity study brings new understanding of the core reference duality in information geometry. Last, we show that the total Bregman divergences can be considered as a total polar Fenchel-Young divergence from which we newly exhibit the reference duality using dual polar conformal factors.

Jacek Karwowski, Frank Nielsen

The extended Gaussian family is the closure of the Gaussian family obtained by completing the Gaussian family with the counterpart elements induced by degenerate covariance or degenerate precision matrices, or a mix of both degeneracies. The parameter space of the extended Gaussian family forms a symmetric positive semi-definite matrix bicone, i.e. two partial symmetric positive semi-definite matrix cones joined at their bases. In this paper, we study the Hilbert geometry of such an open bounded convex symmetric positive-definite bicone. We report the closed-form formula for the corresponding Hilbert metric distance and study exhaustively its invariance properties. We also touch upon potential applications of this geometry for dealing with extended Gaussian distributions.

Frank Nielsen

Artstein-Avidan and Milman [Annals of mathematics (2009), (169):661-674] characterized invertible reverse-ordering transforms on the space of lower-semi-continuous extended real-valued convex functions as affine deformations of the ordinary Legendre transform. In this note, we prove that all those generalized Legendre transforms on functions correspond to the ordinary Legendre transform on dually corresponding affine-deformed functions. That is, generalized convex conjugates are convex conjugates of affine-deformed functions. We conclude this note by sketching how this result can be interpreted from the lens of information geometry.

Andrzej Cichocki, Toshihisa Tanaka, Frank Nielsen et al.

This paper introduces a broad class of Mirror Descent (MD) and Generalized Exponentiated Gradient (GEG) algorithms derived from trace-form entropies defined via deformed logarithms. Leveraging these generalized entropies yields MD \& GEG algorithms with improved convergence behavior, robustness to vanishing and exploding gradients, and inherent adaptability to non-Euclidean geometries through mirror maps. We establish deep connections between these methods and Amari's natural gradient, revealing a unified geometric foundation for additive, multiplicative, and natural gradient updates. Focusing on the Tsallis, Kaniadakis, Sharma--Taneja--Mittal, and Kaniadakis--Lissia--Scarfone entropy families, we show that each entropy induces a distinct Riemannian metric on the parameter space, leading to GEG algorithms that preserve the natural statistical geometry. The tunable parameters of deformed logarithms enable adaptive geometric selection, providing enhanced robustness and convergence over classical Euclidean optimization. Overall, our framework unifies key first-order MD optimization methods under a single information-geometric perspective based on generalized Bregman divergences, where the choice of entropy determines the underlying metric and dual geometric structure.

Ifigeneia Apostolopoulou, Benjamin Eysenbach, Frank Nielsen et al.

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes naturally have this property, deep neural networks often lack it. In this paper, we introduce Distance Aware Bottleneck (DAB), i.e., a new method for enriching deep neural networks with this property. Building on prior information bottleneck approaches, our method learns a codebook that stores a compressed representation of all inputs seen during training. The distance of a new example from this codebook can serve as an uncertainty estimate for the example. The resulting model is simple to train and provides deterministic uncertainty estimates by a single forward pass. Finally, our method achieves better out-of-distribution (OOD) detection and misclassification prediction than prior methods, including expensive ensemble methods, deep kernel Gaussian Processes, and approaches based on the standard information bottleneck.

Richard Nock, Ehsan Amid, Frank Nielsen et al.

Most mathematical distortions used in ML are fundamentally integral in nature: $f$-divergences, Bregman divergences, (regularized) optimal transport distances, integral probability metrics, geodesic distances, etc. In this paper, we unveil a grounded theory and tools which can help improve these distortions to better cope with ML requirements. We start with a generalization of Riemann integration that also encapsulates functions that are not strictly additive but are, more generally, $t$-additive, as in nonextensive statistical mechanics. Notably, this recovers Volterra's product integral as a special case. We then generalize the Fundamental Theorem of calculus using an extension of the (Euclidean) derivative. This, along with a series of more specific Theorems, serves as a basis for results showing how one can specifically design, alter, or change fundamental properties of distortion measures in a simple way, with a special emphasis on geometric- and ML-related properties that are the metricity, hyperbolicity, and encoding. We show how to apply it to a problem that has recently gained traction in ML: hyperbolic embeddings with a "cheap" and accurate encoding along the hyperbolic vs Euclidean scale. We unveil a new application for which the Poincaré disk model has very appealing features, and our theory comes in handy: \textit{model} embeddings for boosted combinations of decision trees, trained using the log-loss (trees) and logistic loss (combinations).

Pascal Mattia Esser, Frank Nielsen

When analyzing parametric statistical models, a useful approach consists in modeling geometrically the parameter space. However, even for very simple and commonly used hierarchical models like statistical mixtures or stochastic deep neural networks, the smoothness assumption of manifolds is violated at singular points which exhibit non-smooth neighborhoods in the parameter space. These singular models have been analyzed in the context of learning dynamics, where singularities can act as attractors on the learning trajectory and, therefore, negatively influence the convergence speed of models. We propose a general approach to circumvent the problem arising from singularities by using stratifolds, a concept from algebraic topology, to formally model singular parameter spaces. We use the property that specific stratifolds are equipped with a resolution method to construct a smooth manifold approximation of the singular space. We empirically show that using (natural) gradient descent on the smooth manifold approximation instead of the singular space allows us to avoid the attractor behavior and therefore improve the convergence speed in learning.

Wu Lin, Frank Nielsen, Mohammad Emtiyaz Khan et al.

In this paper, we propose new structured second-order methods and structured adaptive-gradient methods obtained by performing natural-gradient descent on structured parameter spaces. Natural-gradient descent is an attractive approach to design new algorithms in many settings such as gradient-free, adaptive-gradient, and second-order methods. Our structured methods not only enjoy a structural invariance but also admit a simple expression. Finally, we test the efficiency of our proposed methods on both deterministic non-convex problems and deep learning problems.

Gautier Marti, Victor Goubet, Frank Nielsen

We propose a methodology to approximate conditional distributions in the elliptope of correlation matrices based on conditional generative adversarial networks. We illustrate the methodology with an application from quantitative finance: Monte Carlo simulations of correlated returns to compare risk-based portfolio construction methods. Finally, we discuss about current limitations and advocate for further exploration of the elliptope geometry to improve results.

Frank Nielsen

The Jeffreys divergence is a renown symmetrization of the oriented Kullback-Leibler divergence broadly used in information sciences. Since the Jeffreys divergence between Gaussian mixture models is not available in closed-form, various techniques with pros and cons have been proposed in the literature to either estimate, approximate, or lower and upper bound this divergence. In this paper, we propose a simple yet fast heuristic to approximate the Jeffreys divergence between two univariate Gaussian mixtures with arbitrary number of components. Our heuristic relies on converting the mixtures into pairs of dually parameterized probability densities belonging to an exponential family. In particular, we consider the versatile polynomial exponential family densities, and design a divergence to measure in closed-form the goodness of fit between a Gaussian mixture and its polynomial exponential density approximation. This goodness-of-fit divergence is a generalization of the Hyvärinen divergence used to estimate models with computationally intractable normalizers. It allows us to perform model selection by choosing the orders of the polynomial exponential densities used to approximate the mixtures. We demonstrate experimentally that our heuristic to approximate the Jeffreys divergence improves by several orders of magnitude the computational time of stochastic Monte Carlo estimations while approximating reasonably well the Jeffreys divergence, specially when the mixtures have a very small number of modes. Besides, our mixture-to-exponential family conversion techniques may prove useful in other settings.

Vaden Masrani, Rob Brekelmans, Thang Bui et al.

Many common machine learning methods involve the geometric annealing path, a sequence of intermediate densities between two distributions of interest constructed using the geometric average. While alternatives such as the moment-averaging path have demonstrated performance gains in some settings, their practical applicability remains limited by exponential family endpoint assumptions and a lack of closed form energy function. In this work, we introduce $q$-paths, a family of paths which is derived from a generalized notion of the mean, includes the geometric and arithmetic mixtures as special cases, and admits a simple closed form involving the deformed logarithm function from nonextensive thermodynamics. Following previous analysis of the geometric path, we interpret our $q$-paths as corresponding to a $q$-exponential family of distributions, and provide a variational representation of intermediate densities as minimizing a mixture of $α$-divergences to the endpoints. We show that small deviations away from the geometric path yield empirical gains for Bayesian inference using Sequential Monte Carlo and generative model evaluation using Annealed Importance Sampling.

Wu Lin, Frank Nielsen, Mohammad Emtiyaz Khan et al.

Natural-gradient descent (NGD) on structured parameter spaces (e.g., low-rank covariances) is computationally challenging due to difficult Fisher-matrix computations. We address this issue by using \emph{local-parameter coordinates} to obtain a flexible and efficient NGD method that works well for a wide-variety of structured parameterizations. We show four applications where our method (1) generalizes the exponential natural evolutionary strategy, (2) recovers existing Newton-like algorithms, (3) yields new structured second-order algorithms via matrix groups, and (4) gives new algorithms to learn covariances of Gaussian and Wishart-based distributions. We show results on a range of problems from deep learning, variational inference, and evolution strategies. Our work opens a new direction for scalable structured geometric methods.

Rob Brekelmans, Frank Nielsen, Alireza Makhzani et al.

The exponential family is well known in machine learning and statistical physics as the maximum entropy distribution subject to a set of observed constraints, while the geometric mixture path is common in MCMC methods such as annealed importance sampling. Linking these two ideas, recent work has interpreted the geometric mixture path as an exponential family of distributions to analyze the thermodynamic variational objective (TVO). We extend these likelihood ratio exponential families to include solutions to rate-distortion (RD) optimization, the information bottleneck (IB) method, and recent rate-distortion-classification approaches which combine RD and IB. This provides a common mathematical framework for understanding these methods via the conjugate duality of exponential families and hypothesis testing. Further, we collect existing results to provide a variational representation of intermediate RD or TVO distributions as a minimizing an expectation of KL divergences. This solution also corresponds to a size-power tradeoff using the likelihood ratio test and the Neyman Pearson lemma. In thermodynamic integration bounds such as the TVO, we identify the intermediate distribution whose expected sufficient statistics match the log partition function.

Rob Brekelmans, Vaden Masrani, Thang Bui et al.

Annealed importance sampling (AIS) is the gold standard for estimating partition functions or marginal likelihoods, corresponding to importance sampling over a path of distributions between a tractable base and an unnormalized target. While AIS yields an unbiased estimator for any path, existing literature has been primarily limited to the geometric mixture or moment-averaged paths associated with the exponential family and KL divergence. We explore AIS using $q$-paths, which include the geometric path as a special case and are related to the homogeneous power mean, deformed exponential family, and $α$-divergence.

Frank Nielsen

We study the Voronoi diagrams of a finite set of Cauchy distributions and their dual complexes from the viewpoint of information geometry by considering the Fisher-Rao distance, the Kullback-Leibler divergence, the chi square divergence, and a flat divergence derived from Tsallis' quadratic entropy related to the conformal flattening of the Fisher-Rao curved geometry. We prove that the Voronoi diagrams of the Fisher-Rao distance, the chi square divergence, and the Kullback-Leibler divergences all coincide with a hyperbolic Voronoi diagram on the corresponding Cauchy location-scale parameters, and that the dual Cauchy hyperbolic Delaunay complexes are Fisher orthogonal to the Cauchy hyperbolic Voronoi diagrams. The dual Voronoi diagrams with respect to the dual forward/reverse flat divergences amount to dual Bregman Voronoi diagrams, and their dual complexes are regular triangulations. The primal Bregman-Tsallis Voronoi diagram corresponds to the hyperbolic Voronoi diagram and the dual Bregman-Tsallis Voronoi diagram coincides with the ordinary Euclidean Voronoi diagram. Besides, we prove that the square root of the Kullback-Leibler divergence between Cauchy distributions yields a metric distance which is Hilbertian for the Cauchy scale families.

Frank Nielsen, Richard Nock

It is well-known that the Bhattacharyya, Hellinger, Kullback-Leibler, $α$-divergences, and Jeffreys' divergences between densities belonging to a same exponential family have generic closed-form formulas relying on the strictly convex and real-analytic cumulant function characterizing the exponential family. In this work, we report (dis)similarity formulas which bypass the explicit use of the cumulant function and highlight the role of quasi-arithmetic means and their multivariate mean operator extensions. In practice, these cumulant-free formulas are handy when implementing these (dis)similarities using legacy Application Programming Interfaces (APIs) since our method requires only to partially factorize the densities canonically of the considered exponential family.

Gaëtan Hadjeres, Frank Nielsen

Distances between probability distributions that take into account the geometry of their sample space,like the Wasserstein or the Maximum Mean Discrepancy (MMD) distances have received a lot of attention in machine learning as they can, for instance, be used to compare probability distributions with disjoint supports. In this paper, we study a class of statistical Hilbert distances that we term the Schoenberg-Rao distances, a generalization of the MMD that allows one to consider a broader class of kernels, namely the conditionally negative semi-definite kernels. In particular, we introduce a principled way to construct such kernels and derive novel closed-form distances between mixtures of Gaussian distributions. These distances, derived from the concave Rao's quadratic entropy, enjoy nice theoretical properties and possess interpretable hyperparameters which can be tuned for specific applications. Our method constitutes a practical alternative to Wasserstein distances and we illustrate its efficiency on a broad range of machine learning tasks such as density estimation, generative modeling and mixture simplification.

Ke Sun, Frank Nielsen

This letter introduces an abstract learning problem called the "set embedding": The objective is to map sets into probability distributions so as to lose less information. We relate set union and intersection operations with corresponding interpolations of probability distributions. We also demonstrate a preliminary solution with experimental results on toy set embedding examples.

Frank Nielsen

The dualistic structure of statistical manifolds in information geometry yields eight types of geodesic triangles passing through three given points, the triangle vertices. The interior angles of geodesic triangles can sum up to $π$ like in Euclidean/Mahalanobis flat geometry, or exhibit otherwise angle excesses or angle defects. In this paper, we initiate the study of geodesic triangles in dually flat spaces, termed Bregman manifolds, where a generalized Pythagorean theorem holds. We consider non-self dual Bregman manifolds since Mahalanobis self-dual manifolds amount to Euclidean geometry. First, we show how to construct geodesic triangles with either one, two, or three interior right angles, whenever it is possible. Second, we report a construction of triples of points for which the dual Pythagorean theorems hold simultaneously at a point, yielding two dual pairs of dual-type geodesics with right angles at that point.

Frank Nielsen, Gaëtan Hadjeres

We first introduce the class of strictly quasiconvex and strictly quasiconcave Jensen divergences which are oriented (asymmetric) distances, and study some of their properties. We then define the strictly quasiconvex Bregman divergences as the limit case of scaled and skewed quasiconvex Jensen divergences, and report a simple closed-form formula which shows that these divergences are only pseudo-divergences at countably many inflection points of the generators. To remedy this problem, we propose the $δ$-averaged quasiconvex Bregman divergences which integrate the pseudo-divergences over a small neighborhood in order obtain a proper divergence. The formula of $δ$-averaged quasiconvex Bregman divergences extend even to non-differentiable strictly quasiconvex generators. These quasiconvex Bregman divergences between distinct elements have the property to always have one orientation finite while the other orientation is infinite. We show that these quasiconvex Bregman divergences can also be interpreted as limit cases of generalized skewed Jensen divergences with respect to comparative convexity by using power means. Finally, we illustrate how these quasiconvex Bregman divergences naturally appear as equivalent divergences for the Kullback-Leibler divergences between probability densities belonging to a same parametric family of distributions with nested supports.

Ke Sun, Frank Nielsen

Why do deep neural networks (DNNs) benefit from very high dimensional parameter spaces? Their huge parameter complexities vs stunning performance in practice is all the more intriguing and not explainable using the standard theory of model selection for regular models. In this work, we propose a geometrically flavored information-theoretic approach to study this phenomenon. With the belief that simplicity is linked to better generalization, as grounded in the theory of minimum description length, the objective of our analysis is to examine and bound the complexity of DNNs. We introduce the locally varying dimensionality of the parameter space of neural network models by considering the number of significant dimensions of the Fisher information matrix, and model the parameter space as a manifold using the framework of singular semi-Riemannian geometry. We derive model complexity measures which yield short description lengths for deep neural network models based on their singularity analysis thus explaining the good performance of DNNs despite their large number of parameters.

Frank Nielsen

The Jensen-Shannon divergence is a renown bounded symmetrization of the unbounded Kullback-Leibler divergence which measures the total Kullback-Leibler divergence to the average mixture distribution. However the Jensen-Shannon divergence between Gaussian distributions is not available in closed-form. To bypass this problem, we present a generalization of the Jensen-Shannon (JS) divergence using abstract means which yields closed-form expressions when the mean is chosen according to the parametric family of distributions. More generally, we define the JS-symmetrizations of any distance using generalized statistical mixtures derived from abstract means. In particular, we first show that the geometric mean is well-suited for exponential families, and report two closed-form formula for (i) the geometric Jensen-Shannon divergence between probability densities of the same exponential family, and (ii) the geometric JS-symmetrization of the reverse Kullback-Leibler divergence. As a second illustrating example, we show that the harmonic mean is well-suited for the scale Cauchy distributions, and report a closed-form formula for the harmonic Jensen-Shannon divergence between scale Cauchy distributions. We also define generalized Jensen-Shannon divergences between matrices (e.g., quantum Jensen-Shannon divergences) and consider clustering with respect to these novel Jensen-Shannon divergences.

Frank Nielsen, Gaëtan Hadjeres

We consider both finite and infinite power chi expansions of $f$-divergences derived from Taylor's expansions of smooth generators, and elaborate on cases where these expansions yield closed-form formula, bounded approximations, or analytic divergence series expressions of $f$-divergences.

Gaëtan Hadjeres, Frank Nielsen

This paper presents the Variation Network (VarNet), a generative model providing means to manipulate the high-level attributes of a given input. The originality of our approach is that VarNet is not only capable of handling pre-defined attributes but can also learn the relevant attributes of the dataset by itself. These two settings can also be easily considered at the same time, which makes this model applicable to a wide variety of tasks. Further, VarNet has a sound information-theoretic interpretation which grants us with interpretable means to control how these high-level attributes are learned. We demonstrate experimentally that this model is capable of performing interesting input manipulation and that the learned attributes are relevant and meaningful.

Frank Nielsen

The traditional Minkowski distances are induced by the corresponding Minkowski norms in real-valued vector spaces. In this work, we propose novel statistical symmetric distances based on the Minkowski's inequality for probability densities belonging to Lebesgue spaces. These statistical Minkowski distances admit closed-form formula for Gaussian mixture models when parameterized by integer exponents. This result extends to arbitrary mixtures of exponential families with natural parameter spaces being cones: This includes the binomial, the multinomial, the zero-centered Laplacian, the Gaussian and the Wishart mixtures, among others. We also derive a Minkowski's diversity index of a normalized weighted set of probability distributions from Minkowski's inequality.

Frank Nielsen, Ke Sun

We define a novel class of distances between statistical multivariate distributions by modeling an optimal transport problem on their marginals with respect to a ground distance defined on their conditionals. These new distances are metrics whenever the ground distance between the marginals is a metric, generalize both the Wasserstein distances between discrete measures and a recently introduced metric distance between statistical mixtures, and provide an upper bound for jointly convex distances between statistical mixtures. By entropic regularization of the optimal transport, we obtain a fast differentiable Sinkhorn-type distance. We experimentally evaluate our new family of distances by quantifying the upper bounds of several jointly convex distances between statistical mixtures, and by proposing a novel efficient method to learn Gaussian mixture models (GMMs) by simplifying kernel density estimators with respect to our distance. Our GMM learning technique experimentally improves significantly over the EM implementation of {\tt sklearn} on the {\tt MNIST} and {\tt Fashion MNIST} datasets.

Erika Gomes-Gonçalves, Henryk Gzyl, Frank Nielsen

Separable Bregman divergences induce Riemannian metric spaces that are isometric to the Euclidean space after monotone embeddings. We investigate fixed rate quantization and its codebook Voronoi diagrams, and report on experimental performances of partition-based, hierarchical, and soft clustering algorithms with respect to these Riemann-Bregman distances.

Frank Nielsen, Richard Nock

Distances are fundamental primitives whose choice significantly impacts the performances of algorithms in machine learning and signal processing. However selecting the most appropriate distance for a given task is an endeavor. Instead of testing one by one the entries of an ever-expanding dictionary of {\em ad hoc} distances, one rather prefers to consider parametric classes of distances that are exhaustively characterized by axioms derived from first principles. Bregman divergences are such a class. However fine-tuning a Bregman divergence is delicate since it requires to smoothly adjust a functional generator. In this work, we propose an extension of Bregman divergences called the Bregman chord divergences. This new class of distances does not require gradient calculations, uses two scalar parameters that can be easily tailored in applications, and generalizes asymptotically Bregman divergences.

Giorgio Patrini, Rianne van den Berg, Patrick Forré et al.

Optimal transport offers an alternative to maximum likelihood for learning generative autoencoding models. We show that minimizing the p-Wasserstein distance between the generator and the true data distribution is equivalent to the unconstrained min-min optimization of the p-Wasserstein distance between the encoder aggregated posterior and the prior in latent space, plus a reconstruction error. We also identify the role of its trade-off hyperparameter as the capacity of the generator: its Lipschitz constant. Moreover, we prove that optimizing the encoder over any class of universal approximators, such as deterministic neural networks, is enough to come arbitrarily close to the optimum. We therefore advertise this framework, which holds for any metric space and prior, as a sweet-spot of current generative autoencoding objectives. We then introduce the Sinkhorn auto-encoder (SAE), which approximates and minimizes the p-Wasserstein distance in latent space via backprogation through the Sinkhorn algorithm. SAE directly works on samples, i.e. it models the aggregated posterior as an implicit distribution, with no need for a reparameterization trick for gradients estimations. SAE is thus able to work with different metric spaces and priors with minimal adaptations. We demonstrate the flexibility of SAE on latent spaces with different geometries and priors and compare with other methods on benchmark data sets.

Frank Nielsen

In this survey, we describe the fundamental differential-geometric structures of information manifolds, state the fundamental theorem of information geometry, and illustrate some use cases of these information manifolds in information sciences. The exposition is self-contained by concisely introducing the necessary concepts of differential geometry, but proofs are omitted for brevity.

Frank Nielsen, Ke Sun

The total variation distance is a core statistical distance between probability measures that satisfies the metric axioms, with value always falling in $[0,1]$. This distance plays a fundamental role in machine learning and signal processing: It is a member of the broader class of $f$-divergences, and it is related to the probability of error in Bayesian hypothesis testing. Since the total variation distance does not admit closed-form expressions for statistical mixtures (like Gaussian mixture models), one often has to rely in practice on costly numerical integrations or on fast Monte Carlo approximations that however do not guarantee deterministic lower and upper bounds. In this work, we consider two methods for bounding the total variation of univariate mixture models: The first method is based on the information monotonicity property of the total variation to design guaranteed nested deterministic lower bounds. The second method relies on computing the geometric lower and upper envelopes of weighted mixture components to derive deterministic bounds based on density ratio. We demonstrate the tightness of our bounds in a series of experiments on Gaussian, Gamma and Rayleigh mixture models.