Gaussian Process Koopman Mode Decomposition.

We propose a nonlinear probabilistic generative model of Koopman mode decomposition based on an unsupervised gaussian process. Existing data-driven methods for Koopman mode decomposition have focused on estimating the quantities specified by Koopman mode decomposition: eigenvalues, eigenfunctions, and modes. Our model enables the simultaneous estimation of these quantities and latent variables governed by an unknown dynamical system. Furthermore, we introduce an efficient strategy to estimate the parameters of our model by low-rank approximations of covariance matrices. Applying the proposed model to both synthetic data and a real-world epidemiological data set, we show that various analyses are available using the estimated parameters.

Unsupervised Domain Adaptation for Extra Features in the Target Domain Using Optimal Transport.

Domain adaptation aims to transfer knowledge of labeled instances obtained from a source domain to a target domain to fill the gap between the domains. Most domain adaptation methods assume that the source and target domains have the same dimensionality. Methods that are applicable when the number of features is different in each domain have rarely been studied, especially when no label information is given for the test data obtained from the target domain. In this letter, it is assumed that common features exist in both domains and that extra (new additional) features are observed in the target domain; hence, the dimensionality of the target domain is higher than that of the source domain. To leverage the homogeneity of the common features, the adaptation between these source and target domains is formulated as an optimal transport (OT) problem. In addition, a learning bound in the target domain for the proposed OT-based method is derived. The proposed algorithm is validated using both simulated and real-world data.

Information Geometrically Generalized Covariate Shift Adaptation.

Many machine learning methods assume that the training and test data follow the same distribution. However, in the real world, this assumption is often violated. In particular, the marginal distribution of the data changes, called covariate shift, is one of the most important research topics in machine learning. We show that the well-known family of covariate shift adaptation methods is unified in the framework of information geometry. Furthermore, we show that parameter search for a geometrically generalized covariate shift adaptation method can be achieved efficiently. Numerical experiments show that our generalization can achieve better performance than the existing methods it encompasses.

Dynamics of Cortical Local Connectivity during Sleep-Wake States and the Homeostatic Process.

Sleep exerts modulatory effects on the cerebral cortex. Whether sleep modulates local connectivity in the cortex or only individual neural activity, however, is poorly understood. Here we investigated functional connectivity, that is, covarying activity between neurons, during spontaneous sleep-wake states and during and after sleep deprivation using calcium imaging of identified excitatory/inhibitory neurons in the motor cortex. Functional connectivity was estimated with a statistical learning approach glasso and quantified by "the probability of establishing connectivity (sparse/dense)" and "the strength of the established connectivity (weak/strong)." Local cortical connectivity was sparse in non-rapid eye movement (NREM) sleep and dense in REM sleep, which was similar in both excitatory and inhibitory neurons. The overall mean strength of the connectivity did not differ largely across spontaneous sleep-wake states. Sleep deprivation induced strong excitatory/inhibitory and dense inhibitory, but not excitatory, connectivity. Subsequent NREM sleep after sleep deprivation exhibited weak excitatory/inhibitory, sparse excitatory, and dense inhibitory connectivity. These findings indicate that sleep-wake states modulate local cortical connectivity, and the modulation is large and compensatory for stability of local circuits during the homeostatic control of sleep, which contributes to plastic changes in neural information flow.

α-Geodesical Skew Divergence.

The asymmetric skew divergence smooths one of the distributions by mixing it, to a degree determined by the parameter λ, with the other distribution. Such divergence is an approximation of the KL divergence that does not require the target distribution to be absolutely continuous with respect to the source distribution. In this paper, an information geometric generalization of the skew divergence called the α-geodesical skew divergence is proposed, and its properties are studied.

Modal Principal Component Analysis.

Principal component analysis (PCA) is a widely used method for data processing, such as for dimension reduction and visualization. Standard PCA is known to be sensitive to outliers, and various robust PCA methods have been proposed. It has been shown that the robustness of many statistical methods can be improved using mode estimation instead of mean estimation, because mode estimation is not significantly affected by the presence of outliers. Thus, this study proposes a modal principal component analysis (MPCA), which is a robust PCA method based on mode estimation. The proposed method finds the minor component by estimating the mode of the projected data points. As a theoretical contribution, probabilistic convergence property, influence function, finite-sample breakdown point, and its lower bound for the proposed MPCA are derived. The experimental results show that the proposed method has advantages over conventional methods.

Local Intrinsic Dimension Estimation by Generalized Linear Modeling.

We propose a method for intrinsic dimension estimation. By fitting the power of distance from an inspection point and the number of samples included inside a ball with a radius equal to the distance, to a regression model, we estimate the goodness of fit. Then, by using the maximum likelihood method, we estimate the local intrinsic dimension around the inspection point. The proposed method is shown to be comparable to conventional methods in global intrinsic dimension estimation experiments. Furthermore, we experimentally show that the proposed method outperforms a conventional local dimension estimation method.

Nonparametric e-Mixture Estimation.

This study considers the common situation in data analysis when there are few observations of the distribution of interest or the target distribution, while abundant observations are available from auxiliary distributions. In this situation, it is natural to compensate for the lack of data from the target distribution by using data sets from these auxiliary distributions-in other words, approximating the target distribution in a subspace spanned by a set of auxiliary distributions. Mixture modeling is one of the simplest ways to integrate information from the target and auxiliary distributions in order to express the target distribution as accurately as possible. There are two typical mixtures in the context of information geometry: the [Formula: see text]- and [Formula: see text]-mixtures. The [Formula: see text]-mixture is applied in a variety of research fields because of the presence of the well-known expectation-maximazation algorithm for parameter estimation, whereas the [Formula: see text]-mixture is rarely used because of its difficulty of estimation, particularly for nonparametric models. The [Formula: see text]-mixture, however, is a well-tempered distribution that satisfies the principle of maximum entropy. To model a target distribution with scarce observations accurately, this letter proposes a novel framework for a nonparametric modeling of the [Formula: see text]-mixture and a geometrically inspired estimation algorithm. As numerical examples of the proposed framework, a transfer learning setup is considered. The experimental results show that this framework works well for three types of synthetic data sets, as well as an EEG real-world data set.

A nonparametric clustering algorithm with a quantile-based likelihood estimator.

Clustering is a representative of unsupervised learning and one of the important approaches in exploratory data analysis. By its very nature, clustering without strong assumption on data distribution is desirable. Information-theoretic clustering is a class of clustering methods that optimize information-theoretic quantities such as entropy and mutual information. These quantities can be estimated in a nonparametric manner, and information-theoretic clustering algorithms are capable of capturing various intrinsic data structures. It is also possible to estimate information-theoretic quantities using a data set with sampling weight for each datum. Assuming the data set is sampled from a certain cluster and assigning different sampling weights depending on the clusters, the cluster-conditional information-theoretic quantities are estimated. In this letter, a simple iterative clustering algorithm is proposed based on a nonparametric estimator of the log likelihood for weighted data sets. The clustering algorithm is also derived from the principle of conditional entropy minimization with maximum entropy regularization. The proposed algorithm does not contain a tuning parameter. The algorithm is experimentally shown to be comparable to or outperform conventional nonparametric clustering methods.

Intrinsic graph structure estimation using graph Laplacian.

A graph is a mathematical representation of a set of variables where some pairs of the variables are connected by edges. Common examples of graphs are railroads, the Internet, and neural networks. It is both theoretically and practically important to estimate the intensity of direct connections between variables. In this study, a problem of estimating the intrinsic graph structure from observed data is considered. The observed data in this study are a matrix with elements representing dependency between nodes in the graph. The dependency represents more than direct connections because it includes influences of various paths. For example, each element of the observed matrix represents a co-occurrence of events at two nodes or a correlation of variables corresponding to two nodes. In this setting, spurious correlations make the estimation of direct connection difficult. To alleviate this difficulty, a digraph Laplacian is used for characterizing a graph. A generative model of this observed matrix is proposed, and a parameter estimation algorithm for the model is also introduced. The notable advantage of the proposed method is its ability to deal with directed graphs, while conventional graph structure estimation methods such as covariance selections are applicable only to undirected graphs. The algorithm is experimentally shown to be able to identify the intrinsic graph structure.

Cost-effective framework for gradual domain adaptation with multifidelity.

In domain adaptation, when there is a large distance between the source and target domains, the prediction performance will degrade. Gradual domain adaptation is one of the solutions to such an issue, assuming that we have access to intermediate domains, which shift gradually from the source to the target domain. In previous works, it was assumed that the number of samples in the intermediate domains was sufficiently large; hence, self-training was possible without the need for labeled data. If the number of accessible intermediate domains is restricted, the distances between domains become large, and self-training will fail. Practically, the cost of samples in intermediate domains will vary, and it is natural to consider that the closer an intermediate domain is to the target domain, the higher the cost of obtaining samples from the intermediate domain is. To solve the trade-off between cost and accuracy, we propose a framework that combines multifidelity and active domain adaptation. The effectiveness of the proposed method is evaluated by experiments with real-world datasets.

ATNAS: Automatic Termination for Neural Architecture Search.

Neural architecture search (NAS) is a framework for automating the design process of a neural network structure. While the recent one-shot approaches have reduced the search cost, there still exists an inherent trade-off between cost and performance. It is important to appropriately stop the search and further reduce the high cost of NAS. Meanwhile, the differentiable architecture search (DARTS), a typical one-shot approach, is known to suffer from overfitting. Heuristic early-stopping strategies have been proposed to overcome such performance degradation. In this paper, we propose a more versatile and principled early-stopping criterion on the basis of the evaluation of a gap between expectation values of generalisation errors of the previous and current search steps with respect to the architecture parameters. The stopping threshold is automatically determined at each search epoch without cost. In numerical experiments, we demonstrate the effectiveness of the proposed method. We stop the one-shot NAS algorithms and evaluate the acquired architectures on the benchmark datasets: NAS-Bench-201 and NATS-Bench. Our algorithm is shown to reduce the cost of the search process while maintaining a high performance.

Detecting cell assemblies by NMF-based clustering from calcium imaging data.

A large number of neurons form cell assemblies that process information in the brain. Recent developments in measurement technology, one of which is calcium imaging, have made it possible to study cell assemblies. In this study, we aim to extract cell assemblies from calcium imaging data. We propose a clustering approach based on non-negative matrix factorization (NMF). The proposed approach first obtains a similarity matrix between neurons by NMF and then performs spectral clustering on it. The application of NMF entails the problem of model selection. The number of bases in NMF affects the result considerably, and a suitable selection method is yet to be established. We attempt to resolve this problem by model averaging with a newly defined estimator based on NMF. Experiments on simulated data suggest that the proposed approach is superior to conventional correlation-based clustering methods over a wide range of sampling rates. We also analyzed calcium imaging data of sleeping/waking mice and the results suggest that the size of the cell assembly depends on the degree and spatial extent of slow wave generation in the cerebral cortex.

An estimation of generalized bradley-terry models based on the em algorithm.

The Bradley-Terry model is a statistical representation for one's preference or ranking data by using pairwise comparison results of items. For estimation of the model, several methods based on the sum of weighted Kullback-Leibler divergences have been proposed from various contexts. The purpose of this letter is to interpret an estimation mechanism of the Bradley-Terry model from the viewpoint of flatness, a fundamental notion used in information geometry. Based on this point of view, a new estimation method is proposed on a framework of the em algorithm. The proposed method is different in its objective function from that of conventional methods, especially in treating unobserved comparisons, and it is consistently interpreted in a probability simplex. An estimation method with weight adaptation is also proposed from a viewpoint of the sensitivity. Experimental results show that the proposed method works appropriately, and weight adaptation improves accuracy of the estimate.

A conditional entropy minimization criterion for dimensionality reduction and multiple kernel learning.

Reducing the dimensionality of high-dimensional data without losing its essential information is an important task in information processing. When class labels of training data are available, Fisher discriminant analysis (FDA) has been widely used. However, the optimality of FDA is guaranteed only in a very restricted ideal circumstance, and it is often observed that FDA does not provide a good classification surface for many real problems. This letter treats the problem of supervised dimensionality reduction from the viewpoint of information theory and proposes a framework of dimensionality reduction based on class-conditional entropy minimization. The proposed linear dimensionality-reduction technique is validated both theoretically and experimentally. Then, through kernel Fisher discriminant analysis (KFDA), the multiple kernel learning problem is treated in the proposed framework, and a novel algorithm, which iteratively optimizes the parameters of the classification function and kernel combination coefficients, is proposed. The algorithm is experimentally shown to be comparable to or outperforms KFDA for large-scale benchmark data sets, and comparable to other multiple kernel learning techniques on the yeast protein function annotation task.

A grouped ranking model for item preference parameter.

Given a set of rating data for a set of items, determining preference levels of items is a matter of importance. Various probability models have been proposed to solve this task. One such model is the Plackett-Luce model, which parameterizes the preference level of each item by a real value. In this letter, the Plackett-Luce model is generalized to cope with grouped ranking observations such as movie or restaurant ratings. Since it is difficult to maximize the likelihood of the proposed model directly, a feasible approximation is derived, and the em algorithm is adopted to find the model parameter by maximizing the approximate likelihood which is easily evaluated. The proposed model is extended to a mixture model, and two applications are proposed. To show the effectiveness of the proposed model, numerical experiments with real-world data are carried out.

Symmetry prediction and knowledge discovery from X-ray diffraction patterns using an interpretable machine learning approach.

Determination of crystal system and space group in the initial stages of crystal structure analysis forms a bottleneck in material science workflow that often requires manual tuning. Herein we propose a machine-learning (ML)-based approach for crystal system and space group classification based on powder X-ray diffraction (XRD) patterns as a proof of concept using simulated patterns. Our tree-ensemble-based ML model works with nearly or over 90% accuracy for crystal system classification, except for triclinic cases, and with 88% accuracy for space group classification with five candidates. We also succeeded in quantifying empirical knowledge vaguely shared among experts, showing the possibility for data-driven discovery of unrecognised characteristics embedded in experimental data by using an interpretable ML approach.

Accelerating small-angle scattering experiments on anisotropic samples using kernel density estimation.

We propose a method to accelerate small-angle scattering experiments by exploiting spatial correlation in two-dimensional data. We applied kernel density estimation to the average of a hundred short scans and evaluated noise reduction effects of kernel density estimation (smoothing). Although there is no advantage of using smoothing for isotropic data due to the powerful noise reduction effect of radial averaging, smoothing with a statistically and physically appropriate kernel can shorten measurement time by less than half to obtain sector averages with comparable statistical quality to that of sector averages without smoothing. This benefit will encourage researchers not to use full radial average on anisotropic data sacrificing anisotropy for statistical quality. We also confirmed that statistically reasonable estimation of measurement time is feasible on site by evaluating how intensity variances improve with accumulating counts. The noise reduction effect of smoothing will bring benefits to a wide range of applications from efficient use of beamtime at laboratories and large experimental facilities to stroboscopic measurements suffering low statistical quality.

Classification of volcanic ash particles using a convolutional neural network and probability.

Analyses of volcanic ash are typically performed either by qualitatively classifying ash particles by eye or by quantitatively parameterizing its shape and texture. While complex shapes can be classified through qualitative analyses, the results are subjective due to the difficulty of categorizing complex shapes into a single class. Although quantitative analyses are objective, selection of shape parameters is required. Here, we applied a convolutional neural network (CNN) for the classification of volcanic ash. First, we defined four basal particle shapes (blocky, vesicular, elongated, rounded) generated by different eruption mechanisms (e.g., brittle fragmentation), and then trained the CNN using particles composed of only one basal shape. The CNN could recognize the basal shapes with over 90% accuracy. Using the trained network, we classified ash particles composed of multiple basal shapes based on the output of the network, which can be interpreted as a mixing ratio of the four basal shapes. Clustering of samples by the averaged probabilities and the intensity is consistent with the eruption type. The mixing ratio output by the CNN can be used to quantitatively classify complex shapes in nature without categorizing forcibly and without the need for shape parameters, which may lead to a new taxonomy.

Estimation of neural connections from partially observed neural spikes.

Plasticity is one of the most important properties of the nervous system, which enables animals to adjust their behavior to the ever-changing external environment. Changes in synaptic efficacy between neurons constitute one of the major mechanisms of plasticity. Therefore, estimation of neural connections is crucial for investigating information processing in the brain. Although many analysis methods have been proposed for this purpose, most of them suffer from one or all the following mathematical difficulties: (1) only partially observed neural activity is available; (2) correlations can include both direct and indirect pseudo-interactions; and (3) biological evidence that a neuron typically has only one type of connection (excitatory or inhibitory) should be considered. To overcome these difficulties, a novel probabilistic framework for estimating neural connections from partially observed spikes is proposed in this paper. First, based on the property of a sum of random variables, the proposed method estimates the influence of unobserved neurons on observed neurons and extracts only the correlations among observed neurons. Second, the relationship between pseudo-correlations and target connections is modeled by neural propagation in a multiplicative manner. Third, a novel information-theoretic framework is proposed for estimating neuron types. The proposed method was validated using spike data generated by artificial neural networks. In addition, it was applied to multi-unit data recorded from the CA1 area of a rat's hippocampus. The results confirmed that our estimates are consistent with previous reports. These findings indicate that the proposed method is useful for extracting crucial interactions in neural signals as well as in other multi-probed point process data.