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Tomoharu Iwata

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Published work

17 published item(s)

preprint2026arXiv

Unified generalization analysis for physics informed neural networks

Physics-Informed Neural Networks (PINNs) and their variational counterparts (VPINNs) are neural networks that incorporate physical laws, making them useful for scientific problems. Existing generalization analyses for PINNs and VPINNs remain limited, often requiring restrictive assumptions such as stability conditions or linear ellipticity. In this paper, we derive generalization bounds for neural networks that involve differentiation with respect to input variables, covering PINNs and VPINNs under a unified framework. We apply Taylor expansion to represent nonlinear differential operators as linear operators on a high-dimensional space, enabling the use of Koopman-based analysis and showing that high-rank networks can generalize well even in settings involving differential operators. We also show that the nonlinearity of the differential operator exponentially enlarges the bound, highlighting its significant impact on generalization.

preprint2022arXiv

Data-driven End-to-end Learning of Pole Placement Control for Nonlinear Dynamics via Koopman Invariant Subspaces

We propose a data-driven method for controlling the frequency and convergence rate of black-box nonlinear dynamical systems based on the Koopman operator theory. With the proposed method, a policy network is trained such that the eigenvalues of a Koopman operator of controlled dynamics are close to the target eigenvalues. The policy network consists of a neural network to find a Koopman invariant subspace, and a pole placement module to adjust the eigenvalues of the Koopman operator. Since the policy network is differentiable, we can train it in an end-to-end fashion using reinforcement learning. We demonstrate that the proposed method achieves better performance than model-free reinforcement learning and model-based control with system identification.

preprint2022arXiv

Meta-learning for Out-of-Distribution Detection via Density Estimation in Latent Space

Many neural network-based out-of-distribution (OoD) detection methods have been proposed. However, they require many training data for each target task. We propose a simple yet effective meta-learning method to detect OoD with small in-distribution data in a target task. With the proposed method, the OoD detection is performed by density estimation in a latent space. A neural network shared among all tasks is used to flexibly map instances in the original space to the latent space. The neural network is meta-learned such that the expected OoD detection performance is improved by using various tasks that are different from the target tasks. This meta-learning procedure enables us to obtain appropriate representations in the latent space for OoD detection. For density estimation, we use a Gaussian mixture model (GMM) with full covariance for each class. We can adapt the GMM parameters to in-distribution data in each task in a closed form by maximizing the likelihood. Since the closed form solution is differentiable, we can meta-learn the neural network efficiently with a stochastic gradient descent method by incorporating the solution into the meta-learning objective function. In experiments using six datasets, we demonstrate that the proposed method achieves better performance than existing meta-learning and OoD detection methods.

preprint2022arXiv

Predicting Opinion Dynamics via Sociologically-Informed Neural Networks

Opinion formation and propagation are crucial phenomena in social networks and have been extensively studied across several disciplines. Traditionally, theoretical models of opinion dynamics have been proposed to describe the interactions between individuals (i.e., social interaction) and their impact on the evolution of collective opinions. Although these models can incorporate sociological and psychological knowledge on the mechanisms of social interaction, they demand extensive calibration with real data to make reliable predictions, requiring much time and effort. Recently, the widespread use of social media platforms provides new paradigms to learn deep learning models from a large volume of social media data. However, these methods ignore any scientific knowledge about the mechanism of social interaction. In this work, we present the first hybrid method called Sociologically-Informed Neural Network (SINN), which integrates theoretical models and social media data by transporting the concepts of physics-informed neural networks (PINNs) from natural science (i.e., physics) into social science (i.e., sociology and social psychology). In particular, we recast theoretical models as ordinary differential equations (ODEs). Then we train a neural network that simultaneously approximates the data and conforms to the ODEs that represent the social scientific knowledge. In addition, we extend PINNs by integrating matrix factorization and a language model to incorporate rich side information (e.g., user profiles) and structural knowledge (e.g., cluster structure of the social interaction network). Moreover, we develop an end-to-end training procedure for SINN, which involves Gumbel-Softmax approximation to include stochastic mechanisms of social interaction. Extensive experiments on real-world and synthetic datasets show SINN outperforms six baseline methods in predicting opinion dynamics.

preprint2022arXiv

Tight integration of neural- and clustering-based diarization through deep unfolding of infinite Gaussian mixture model

Speaker diarization has been investigated extensively as an important central task for meeting analysis. Recent trend shows that integration of end-to-end neural (EEND)-and clustering-based diarization is a promising approach to handle realistic conversational data containing overlapped speech with an arbitrarily large number of speakers, and achieved state-of-the-art results on various tasks. However, the approaches proposed so far have not realized {\it tight} integration yet, because the clustering employed therein was not optimal in any sense for clustering the speaker embeddings estimated by the EEND module. To address this problem, this paper introduces a {\it trainable} clustering algorithm into the integration framework, by deep-unfolding a non-parametric Bayesian model called the infinite Gaussian mixture model (iGMM). Specifically, the speaker embeddings are optimized during training such that it better fits iGMM clustering, based on a novel clustering loss based on Adjusted Rand Index (ARI). Experimental results based on CALLHOME data show that the proposed approach outperforms the conventional approach in terms of diarization error rate (DER), especially by substantially reducing speaker confusion errors, that indeed reflects the effectiveness of the proposed iGMM integration.

preprint2021arXiv

Adversarial Training Makes Weight Loss Landscape Sharper in Logistic Regression

Adversarial training is actively studied for learning robust models against adversarial examples. A recent study finds that adversarially trained models degenerate generalization performance on adversarial examples when their weight loss landscape, which is loss changes with respect to weights, is sharp. Unfortunately, it has been experimentally shown that adversarial training sharpens the weight loss landscape, but this phenomenon has not been theoretically clarified. Therefore, we theoretically analyze this phenomenon in this paper. As a first step, this paper proves that adversarial training with the L2 norm constraints sharpens the weight loss landscape in the linear logistic regression model. Our analysis reveals that the sharpness of the weight loss landscape is caused by the noise aligned in the direction of increasing the loss, which is used in adversarial training. We theoretically and experimentally confirm that the weight loss landscape becomes sharper as the magnitude of the noise of adversarial training increases in the linear logistic regression model. Moreover, we experimentally confirm the same phenomena in ResNet18 with softmax as a more general case.

preprint2021arXiv

Meta-Learning for Koopman Spectral Analysis with Short Time-series

Koopman spectral analysis has attracted attention for nonlinear dynamical systems since we can analyze nonlinear dynamics with a linear regime by embedding data into a Koopman space by a nonlinear function. For the analysis, we need to find appropriate embedding functions. Although several neural network-based methods have been proposed for learning embedding functions, existing methods require long time-series for training neural networks. This limitation prohibits performing Koopman spectral analysis in applications where only short time-series are available. In this paper, we propose a meta-learning method for estimating embedding functions from unseen short time-series by exploiting knowledge learned from related but different time-series. With the proposed method, a representation of a given short time-series is obtained by a bidirectional LSTM for extracting its properties. The embedding function of the short time-series is modeled by a neural network that depends on the time-series representation. By sharing the LSTM and neural networks across multiple time-series, we can learn common knowledge from different time-series while modeling time-series-specific embedding functions with the time-series representation. Our model is trained such that the expected test prediction error is minimized with the episodic training framework. We experimentally demonstrate that the proposed method achieves better performance in terms of eigenvalue estimation and future prediction than existing methods.

preprint2021arXiv

Meta-learning One-class Classifiers with Eigenvalue Solvers for Supervised Anomaly Detection

Neural network-based anomaly detection methods have shown to achieve high performance. However, they require a large amount of training data for each task. We propose a neural network-based meta-learning method for supervised anomaly detection. The proposed method improves the anomaly detection performance on unseen tasks, which contains a few labeled normal and anomalous instances, by meta-training with various datasets. With a meta-learning framework, quick adaptation to each task and its effective backpropagation are important since the model is trained by the adaptation for each epoch. Our model enables them by formulating adaptation as a generalized eigenvalue problem with one-class classification; its global optimum solution is obtained, and the solver is differentiable. We experimentally demonstrate that the proposed method achieves better performance than existing anomaly detection and few-shot learning methods on various datasets.

preprint2021arXiv

Meta-learning representations for clustering with infinite Gaussian mixture models

For better clustering performance, appropriate representations are critical. Although many neural network-based metric learning methods have been proposed, they do not directly train neural networks to improve clustering performance. We propose a meta-learning method that train neural networks for obtaining representations such that clustering performance improves when the representations are clustered by the variational Bayesian (VB) inference with an infinite Gaussian mixture model. The proposed method can cluster unseen unlabeled data using knowledge meta-learned with labeled data that are different from the unlabeled data. For the objective function, we propose a continuous approximation of the adjusted Rand index (ARI), by which we can evaluate the clustering performance from soft clustering assignments. Since the approximated ARI and the VB inference procedure are differentiable, we can backpropagate the objective function through the VB inference procedure to train the neural networks. With experiments using text and image data sets, we demonstrate that our proposed method has a higher adjusted Rand index than existing methods do.

preprint2020arXiv

Probabilistic Optimal Transport based on Collective Graphical Models

Optimal Transport (OT) is being widely used in various fields such as machine learning and computer vision, as it is a powerful tool for measuring the similarity between probability distributions and histograms. In previous studies, OT has been defined as the minimum cost to transport probability mass from one probability distribution to another. In this study, we propose a new framework in which OT is considered as a maximum a posteriori (MAP) solution of a probabilistic generative model. With the proposed framework, we show that OT with entropic regularization is equivalent to maximizing a posterior probability of a probabilistic model called Collective Graphical Model (CGM), which describes aggregated statistics of multiple samples generated from a graphical model. Interpreting OT as a MAP solution of a CGM has the following two advantages: (i) We can calculate the discrepancy between noisy histograms by modeling noise distributions. Since various distributions can be used for noise modeling, it is possible to select the noise distribution flexibly to suit the situation. (ii) We can construct a new method for interpolation between histograms, which is an important application of OT. The proposed method allows for intuitive modeling based on the probabilistic interpretations, and a simple and efficient estimation algorithm is available. Experiments using synthetic and real-world spatio-temporal population datasets show the effectiveness of the proposed interpolation method.

preprint2020arXiv

Semi-supervised Anomaly Detection on Attributed Graphs

We propose a simple yet effective method for detecting anomalous instances on an attribute graph with label information of a small number of instances. Although with standard anomaly detection methods it is usually assumed that instances are independent and identically distributed, in many real-world applications, instances are often explicitly connected with each other, resulting in so-called attributed graphs. The proposed method embeds nodes (instances) on the attributed graph in the latent space by taking into account their attributes as well as the graph structure based on graph convolutional networks (GCNs). To learn node embeddings specialized for anomaly detection, in which there is a class imbalance due to the rarity of anomalies, the parameters of a GCN are trained to minimize the volume of a hypersphere that encloses the node embeddings of normal instances while embedding anomalous ones outside the hypersphere. This enables us to detect anomalies by simply calculating the distances between the node embeddings and hypersphere center. The proposed method can effectively propagate label information on a small amount of nodes to unlabeled ones by taking into account the node's attributes, graph structure, and class imbalance. In experiments with five real-world attributed graph datasets, we demonstrate that the proposed method achieves better performance than various existing anomaly detection methods.

preprint2020arXiv

Spatially Aggregated Gaussian Processes with Multivariate Areal Outputs

We propose a probabilistic model for inferring the multivariate function from multiple areal data sets with various granularities. Here, the areal data are observed not at location points but at regions. Existing regression-based models can only utilize the sufficiently fine-grained auxiliary data sets on the same domain (e.g., a city). With the proposed model, the functions for respective areal data sets are assumed to be a multivariate dependent Gaussian process (GP) that is modeled as a linear mixing of independent latent GPs. Sharing of latent GPs across multiple areal data sets allows us to effectively estimate the spatial correlation for each areal data set; moreover it can easily be extended to transfer learning across multiple domains. To handle the multivariate areal data, we design an observation model with a spatial aggregation process for each areal data set, which is an integral of the mixed GP over the corresponding region. By deriving the posterior GP, we can predict the data value at any location point by considering the spatial correlations and the dependences between areal data sets, simultaneously. Our experiments on real-world data sets demonstrate that our model can 1) accurately refine coarse-grained areal data, and 2) offer performance improvements by using the areal data sets from multiple domains.

preprint2016arXiv

Localized Lasso for High-Dimensional Regression

We introduce the localized Lasso, which is suited for learning models that are both interpretable and have a high predictive power in problems with high dimensionality $d$ and small sample size $n$. More specifically, we consider a function defined by local sparse models, one at each data point. We introduce sample-wise network regularization to borrow strength across the models, and sample-wise exclusive group sparsity (a.k.a., $\ell_{1,2}$ norm) to introduce diversity into the choice of feature sets in the local models. The local models are interpretable in terms of similarity of their sparsity patterns. The cost function is convex, and thus has a globally optimal solution. Moreover, we propose a simple yet efficient iterative least-squares based optimization procedure for the localized Lasso, which does not need a tuning parameter, and is guaranteed to converge to a globally optimal solution. The solution is empirically shown to outperform alternatives for both simulated and genomic personalized medicine data.

preprint2014arXiv

Collaboration on Social Media: Analyzing Successful Projects on Social Coding

Social Coding Sites (SCSs) are social media services for sharing software development projects on the Web, and many open source projects are currently being developed on SCSs. One of the characteristics of SCSs is that they provide a platform on social networks that encourages collaboration between developers with the same interests and purpose. For example, external developers can easily report bugs and improvements to the project members. In this paper, we investigate keys to the success of projects on SCSs based on large data consisting of more than three hundred thousand projects. We focus on the following three perspectives: 1) the team structure, 2) social activity with external developers, and 3) content developed by the project. To evaluate the success quantitatively, we define activity, popularity and sociality as success indexes. A summary of the findings we obtained by using the techniques of correlation analysis, social network analysis and topic extraction is as follows: the number of project members and the connectivity between the members are positively correlated with success indexes. Second, projects that faithfully tackle change requests from external developers are more likely to be successful. Third, the success indexes differ between topics of softwares developed by projects. Our analysis suggests how to be successful in various projects, not limited to social coding.

preprint2014arXiv

Multi-view Anomaly Detection via Probabilistic Latent Variable Models

We propose a nonparametric Bayesian probabilistic latent variable model for multi-view anomaly detection, which is the task of finding instances that have inconsistent views. With the proposed model, all views of a non-anomalous instance are assumed to be generated from a single latent vector. On the other hand, an anomalous instance is assumed to have multiple latent vectors, and its different views are generated from different latent vectors. By inferring the number of latent vectors used for each instance with Dirichlet process priors, we obtain multi-view anomaly scores. The proposed model can be seen as a robust extension of probabilistic canonical correlation analysis for noisy multi-view data. We present Bayesian inference procedures for the proposed model based on a stochastic EM algorithm. The effectiveness of the proposed model is demonstrated in terms of performance when detecting multi-view anomalies and imputing missing values in multi-view data with anomalies.

preprint2014arXiv

Warped Mixtures for Nonparametric Cluster Shapes

A mixture of Gaussians fit to a single curved or heavy-tailed cluster will report that the data contains many clusters. To produce more appropriate clusterings, we introduce a model which warps a latent mixture of Gaussians to produce nonparametric cluster shapes. The possibly low-dimensional latent mixture model allows us to summarize the properties of the high-dimensional clusters (or density manifolds) describing the data. The number of manifolds, as well as the shape and dimension of each manifold is automatically inferred. We derive a simple inference scheme for this model which analytically integrates out both the mixture parameters and the warping function. We show that our model is effective for density estimation, performs better than infinite Gaussian mixture models at recovering the true number of clusters, and produces interpretable summaries of high-dimensional datasets.

preprint2013arXiv

Warped Mixtures for Nonparametric Cluster Shapes

A mixture of Gaussians fit to a single curved or heavy-tailed cluster will report that the data contains many clusters. To produce more appropriate clusterings, we introduce a model which warps a latent mixture of Gaussians to produce nonparametric cluster shapes. The possibly low-dimensional latent mixture model allows us to summarize the properties of the high-dimensional clusters (or density manifolds) describing the data. The number of manifolds, as well as the shape and dimension of each manifold is automatically inferred. We derive a simple inference scheme for this model which analytically integrates out both the mixture parameters and the warping function. We show that our model is effective for density estimation, performs better than infinite Gaussian mixture models at recovering the true number of clusters, and produces interpretable summaries of high-dimensional datasets.