arXiv subjects

Tomoharu Iwata

Publications and source records attributed to Tomoharu Iwata.

At least 37 records · Page 2Linked to original sources

arXiv2024

Explanation-based Training with Differentiable Insertion/Deletion Metric-aware Regularizers

The quality of explanations for the predictions made by complex machine learning predictors is often measured using insertion and deletion metrics, which assess the faithfulness of the explanations, i.e., how accurately the explanations reflect the predictor's behavior. To improve the faithfulness, we propose insertion/deletion metric-aware explanation-based optimization (ID-ExpO), which optimizes differentiable predictors to improve both the insertion and deletion scores of the explanations while maintaining their predictive accuracy. Because the original insertion and deletion metrics are non-differentiable with respect to the explanations and directly unavailable for gradient-based optimization, we extend the metrics so that they are differentiable and use them to formalize insertion and deletion metric-based regularizers. Our experimental results on image and tabular datasets show that the deep neural network-based predictors that are fine-tuned using ID-ExpO enable popular post-hoc explainers to produce more faithful and easier-to-interpret explanations while maintaining high predictive accuracy. The code is available at https://github.com/yuyay/idexpo.

cs.LG↗

arXiv2024

Neural Operators Meet Energy-based Theory: Operator Learning for Hamiltonian and Dissipative PDEs

The operator learning has received significant attention in recent years, with the aim of learning a mapping between function spaces. Prior works have proposed deep neural networks (DNNs) for learning such a mapping, enabling the learning of solution operators of partial differential equations (PDEs). However, these works still struggle to learn dynamics that obeys the laws of physics. This paper proposes Energy-consistent Neural Operators (ENOs), a general framework for learning solution operators of PDEs that follows the energy conservation or dissipation law from observed solution trajectories. We introduce a novel penalty function inspired by the energy-based theory of physics for training, in which the energy functional is modeled by another DNN, allowing one to bias the outputs of the DNN-based solution operators to ensure energetic consistency without explicit PDEs. Experiments on multiple physical systems show that ENO outperforms existing DNN models in predicting solutions from data, especially in super-resolution settings.

stat.ML↗

arXiv2024

Meta-Learning for Neural Network-based Temporal Point Processes

Human activities generate various event sequences such as taxi trip records, bike-sharing pick-ups, crime occurrence, and infectious disease transmission. The point process is widely used in many applications to predict such events related to human activities. However, point processes present two problems in predicting events related to human activities. First, recent high-performance point process models require the input of sufficient numbers of events collected over a long period (i.e., long sequences) for training, which are often unavailable in realistic situations. Second, the long-term predictions required in real-world applications are difficult. To tackle these problems, we propose a novel meta-learning approach for periodicity-aware prediction of future events given short sequences. The proposed method first embeds short sequences into hidden representations (i.e., task representations) via recurrent neural networks for creating predictions from short sequences. It then models the intensity of the point process by monotonic neural networks (MNNs), with the input being the task representations. We transfer the prior knowledge learned from related tasks and can improve event prediction given short sequences of target tasks. We design the MNNs to explicitly take temporal periodic patterns into account, contributing to improved long-term prediction performance. Experiments on multiple real-world datasets demonstrate that the proposed method has higher prediction performance than existing alternatives.

cs.LG↗

arXiv2023

Meta-learning to Calibrate Gaussian Processes with Deep Kernels for Regression Uncertainty Estimation

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for improving regression uncertainty estimation performance with a limited number of training data. The proposed method meta-learns how to calibrate uncertainty using data from various tasks by minimizing the test expected calibration error, and uses the knowledge for unseen tasks. We design our model such that the adaptation and calibration for each task can be performed without iterative procedures, which enables effective meta-learning. In particular, a task-specific uncalibrated output distribution is modeled by a GP with a task-shared encoder network, and it is transformed to a calibrated one using a cumulative density function of a task-specific Gaussian mixture model (GMM). By integrating the GP and GMM into our neural network-based model, we can meta-learn model parameters in an end-to-end fashion. Our experiments demonstrate that the proposed method improves uncertainty estimation performance while keeping high regression performance compared with the existing methods using real-world datasets in few-shot settings.

stat.ML↗

arXiv2023

Meta-learning of semi-supervised learning from tasks with heterogeneous attribute spaces

We propose a meta-learning method for semi-supervised learning that learns from multiple tasks with heterogeneous attribute spaces. The existing semi-supervised meta-learning methods assume that all tasks share the same attribute space, which prevents us from learning with a wide variety of tasks. With the proposed method, the expected test performance on tasks with a small amount of labeled data is improved with unlabeled data as well as data in various tasks, where the attribute spaces are different among tasks. The proposed method embeds labeled and unlabeled data simultaneously in a task-specific space using a neural network, and the unlabeled data's labels are estimated by adapting classification or regression models in the embedding space. For the neural network, we develop variable-feature self-attention layers, which enable us to find embeddings of data with different attribute spaces with a single neural network by considering interactions among examples, attributes, and labels. Our experiments on classification and regression datasets with heterogeneous attribute spaces demonstrate that our proposed method outperforms the existing meta-learning and semi-supervised learning methods.

cs.LG↗

arXiv2023

Meta-learning of Physics-informed Neural Networks for Efficiently Solving Newly Given PDEs

We propose a neural network-based meta-learning method to efficiently solve partial differential equation (PDE) problems. The proposed method is designed to meta-learn how to solve a wide variety of PDE problems, and uses the knowledge for solving newly given PDE problems. We encode a PDE problem into a problem representation using neural networks, where governing equations are represented by coefficients of a polynomial function of partial derivatives, and boundary conditions are represented by a set of point-condition pairs. We use the problem representation as an input of a neural network for predicting solutions, which enables us to efficiently predict problem-specific solutions by the forwarding process of the neural network without updating model parameters. To train our model, we minimize the expected error when adapted to a PDE problem based on the physics-informed neural network framework, by which we can evaluate the error even when solutions are unknown. We demonstrate that our proposed method outperforms existing methods in predicting solutions of PDE problems.

stat.ML↗

arXiv2023

Information-theoretic Analysis of Test Data Sensitivity in Uncertainty

Bayesian inference is often utilized for uncertainty quantification tasks. A recent analysis by Xu and Raginsky 2022 rigorously decomposed the predictive uncertainty in Bayesian inference into two uncertainties, called aleatoric and epistemic uncertainties, which represent the inherent randomness in the data-generating process and the variability due to insufficient data, respectively. They analyzed those uncertainties in an information-theoretic way, assuming that the model is well-specified and treating the model's parameters as latent variables. However, the existing information-theoretic analysis of uncertainty cannot explain the widely believed property of uncertainty, known as the sensitivity between the test and training data. It implies that when test data are similar to training data in some sense, the epistemic uncertainty should become small. In this work, we study such uncertainty sensitivity using our novel decomposition method for the predictive uncertainty. Our analysis successfully defines such sensitivity using information-theoretic quantities. Furthermore, we extend the existing analysis of Bayesian meta-learning and show the novel sensitivities among tasks for the first time.

stat.ML↗

arXiv2023

Meta-learning for heterogeneous treatment effect estimation with closed-form solvers

This article proposes a meta-learning method for estimating the conditional average treatment effect (CATE) from a few observational data. The proposed method learns how to estimate CATEs from multiple tasks and uses the knowledge for unseen tasks. In the proposed method, based on the meta-learner framework, we decompose the CATE estimation problem into sub-problems. For each sub-problem, we formulate our estimation models using neural networks with task-shared and task-specific parameters. With our formulation, we can obtain optimal task-specific parameters in a closed form that are differentiable with respect to task-shared parameters, making it possible to perform effective meta-learning. The task-shared parameters are trained such that the expected CATE estimation performance in few-shot settings is improved by minimizing the difference between a CATE estimated with a large amount of data and one estimated with just a few data. Our experimental results demonstrate that our method outperforms the existing meta-learning approaches and CATE estimation methods.

stat.ML↗

arXiv2022

Modeling Nonlinear Dynamics in Continuous Time with Inductive Biases on Decay Rates and/or Frequencies

We propose a neural network-based model for nonlinear dynamics in continuous time that can impose inductive biases on decay rates and/or frequencies. Inductive biases are helpful for training neural networks especially when training data are small. The proposed model is based on the Koopman operator theory, where the decay rate and frequency information is used by restricting the eigenvalues of the Koopman operator that describe linear evolution in a Koopman space. We use neural networks to find an appropriate Koopman space, which are trained by minimizing multi-step forecasting and backcasting errors using irregularly sampled time-series data. Experiments on various time-series datasets demonstrate that the proposed method achieves higher forecasting performance given a single short training sequence than the existing methods.

stat.ML↗

arXiv2022

Linear Embedding-based High-dimensional Batch Bayesian Optimization without Reconstruction Mappings

The optimization of high-dimensional black-box functions is a challenging problem. When a low-dimensional linear embedding structure can be assumed, existing Bayesian optimization (BO) methods often transform the original problem into optimization in a low-dimensional space. They exploit the low-dimensional structure and reduce the computational burden. However, we reveal that this approach could be limited or inefficient in exploring the high-dimensional space mainly due to the biased reconstruction of the high-dimensional queries from the low-dimensional queries. In this paper, we investigate a simple alternative approach: tackling the problem in the original high-dimensional space using the information from the learned low-dimensional structure. We provide a theoretical analysis of the exploration ability. Furthermore, we show that our method is applicable to batch optimization problems with thousands of dimensions without any computational difficulty. We demonstrate the effectiveness of our method on high-dimensional benchmarks and a real-world function.

stat.ML↗

arXiv2022

Excess risk analysis for epistemic uncertainty with application to variational inference

Bayesian deep learning plays an important role especially for its ability evaluating epistemic uncertainty (EU). Due to computational complexity issues, approximation methods such as variational inference (VI) have been used in practice to obtain posterior distributions and their generalization abilities have been analyzed extensively, for example, by PAC-Bayesian theory; however, little analysis exists on EU, although many numerical experiments have been conducted on it. In this study, we analyze the EU of supervised learning in approximate Bayesian inference by focusing on its excess risk. First, we theoretically show the novel relations between generalization error and the widely used EU measurements, such as the variance and mutual information of predictive distribution, and derive their convergence behaviors. Next, we clarify how the objective function of VI regularizes the EU. With this analysis, we propose a new objective function for VI that directly controls the prediction performance and the EU based on the PAC-Bayesian theory. Numerical experiments show that our algorithm significantly improves the EU evaluation over the existing VI methods.

stat.ML↗

arXiv2022

Active Learning for Regression with Aggregated Outputs

Due to the privacy protection or the difficulty of data collection, we cannot observe individual outputs for each instance, but we can observe aggregated outputs that are summed over multiple instances in a set in some real-world applications. To reduce the labeling cost for training regression models for such aggregated data, we propose an active learning method that sequentially selects sets to be labeled to improve the predictive performance with fewer labeled sets. For the selection measurement, the proposed method uses the mutual information, which quantifies the reduction of the uncertainty of the model parameters by observing the aggregated output. With Bayesian linear basis functions for modeling outputs given an input, which include approximated Gaussian processes and neural networks, we can efficiently calculate the mutual information in a closed form. With the experiments using various datasets, we demonstrate that the proposed method achieves better predictive performance with fewer labeled sets than existing methods.

stat.ML↗

arXiv2022

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.

eess.SY↗

arXiv2022

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.

cs.SI↗

arXiv2022

Aggregated Multi-output Gaussian Processes with Knowledge Transfer Across Domains

Aggregate data often appear in various fields such as socio-economics and public security. The aggregate data are associated not with points but with supports (e.g., spatial regions in a city). Since the supports may have various granularities depending on attributes (e.g., poverty rate and crime rate), modeling such data is not straightforward. This article offers a multi-output Gaussian process (MoGP) model that infers functions for attributes using multiple aggregate datasets of respective granularities. In the proposed model, the function for each attribute is assumed to be a dependent GP modeled as a linear mixing of independent latent GPs. We design an observation model with an aggregation process for each attribute; the process is an integral of the GP over the corresponding support. We also introduce a prior distribution of the mixing weights, which allows a knowledge transfer across domains (e.g., cities) by sharing the prior. This is advantageous in such a situation where the spatially aggregated dataset in a city is too coarse to interpolate; the proposed model can still make accurate predictions of attributes by utilizing aggregate datasets in other cities. The inference of the proposed model is based on variational Bayes, which enables one to learn the model parameters using the aggregate datasets from multiple domains. The experiments demonstrate that the proposed model outperforms in the task of refining coarse-grained aggregate data on real-world datasets: Time series of air pollutants in Beijing and various kinds of spatial datasets from New York City and Chicago.

stat.ML↗

arXiv2022

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.

stat.ML↗

arXiv2022

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.

eess.AS↗

arXiv2021

Training Deep Models to be Explained with Fewer Examples

Although deep models achieve high predictive performance, it is difficult for humans to understand the predictions they made. Explainability is important for real-world applications to justify their reliability. Many example-based explanation methods have been proposed, such as representer point selection, where an explanation model defined by a set of training examples is used for explaining a prediction model. For improving the interpretability, reducing the number of examples in the explanation model is important. However, the explanations with fewer examples can be unfaithful since it is difficult to approximate prediction models well by such example-based explanation models. The unfaithful explanations mean that the predictions by the explainable model are different from those by the prediction model. We propose a method for training deep models such that their predictions are faithfully explained by explanation models with a small number of examples. We train the prediction and explanation models simultaneously with a sparse regularizer for reducing the number of examples. The proposed method can be incorporated into any neural network-based prediction models. Experiments using several datasets demonstrate that the proposed method improves faithfulness while keeping the predictive performance.

stat.ML↗