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Tomoharu Iwata

Publications and source records attributed to Tomoharu Iwata.

At least 19 recordsLinked to original sources
arXiv2026

AUC Maximization from Biased Positive-unlabeled Data with Confidence

Maximizing the area under the receiver operating characteristic curve (AUC) is a standard approach to imbalanced binary classification. Although positive and negative data are required for maximizing the AUC, negative data are often difficult to collect in some real-world applications due to privacy concerns or the need for specialized expertise to annotate them. Thus, AUC maximization from positive and unlabeled (PU) data has been attracting attention. Existing methods assume that labeled positive data are unbiased samples from the true positive distribution. However, this ideal assumption is often violated in practice. In this paper, we propose a method to maximize the AUC from biased PU data. To address the bias, our key idea is to exploit {\it confidence}, i.e., the probability that an instance is positive, associated with the small number of labeled positive data. We derive an estimator of the AUC risk using biased PU data with confidence, enabling AUC maximization under such bias. We further show that the rewritten AUC risk induces a Bayes-optimal AUC ranking even when the available confidence is any strictly increasing transformation of the true posterior probability. We experimentally show the effectiveness of our method on eight real-world datasets.

cs.LG↗
arXiv2026

Importance Weighting for Unlabeled-unlabeled Learning under Distribution Shift

Unlabeled-unlabeled (UU) learning allows us to learn a binary classifier from two sets of unlabeled data with different class-priors. It is a general framework because it includes a wide variety of supervised learning such as positive-unlabeled (PU) learning, noisy label learning, and similarity-based learning. Existing UU learning assumes that the test and training distributions have the same class-conditional densities. However, this assumption rarely holds in practice due to distribution shifts. This paper proposes a distribution shift adaptation method for UU learning that uses UU data in the training distribution and a few UU data in the test distribution. The proposed method is based on the importance weighting, which minimizes the test risk by using training data with estimated importance weights. Although existing importance weighting methods cannot handle UU data, we show that it can be done in a principled manner. Thanks to the generality of UU learning, our method can handle various learning problems such as PU and noisy label learning under distribution shift within a single framework while existing methods are usually tailored to a specific problem. Moreover, it does not require any assumption of the shift types such as covariate shift. We experimentally demonstrate the effectiveness of the proposed method with real-world datasets.

cs.LG↗
arXiv2026

Impact of Multiple Non-Invasive Biosignals on Cardiovascular Biomarker Estimation via Simulation-Based Inference

As the population ages, the number of patients with cardiovascular diseases continues to increase, highlighting the need for early detection before progression to severe and irreversible functional decline. Consequently, estimating cardiovascular biomarkers from non-invasive biosignals, such as photoplethysmography (PPG) and arterial pressure wave (APW) signals, has attracted increasing attention. These signals can be measured using wearable and cuff-type devices. Previous studies have used PPG and APW signals to estimate cardiovascular biomarkers. However, these signals exhibit strong similarities in both the temporal and frequency domains and primarily reflect peripheral and arterial pulse waveforms. Therefore, they may provide limited information about cardiac mechanical function. In contrast, the quantitative impact of additional biosignals, such as ballistocardiography (BCG), which reflect the body's minute mechanical responses to cardiac ejection, remains unclear. In this study, we generated synthetic PPG, APW, and BCG signals from a unified whole-body cardiovascular circulation model and evaluated the complementary contribution of BCG to probabilistic cardiovascular biomarker estimation. We estimated posterior distributions of cardiovascular biomarkers using neural posterior estimation and simulation-based inference. The results showed that adding BCG signals significantly improved estimation performance. Furthermore, even in ill-posed cases where PPG and APW alone produced multimodal posterior distributions, adding BCG yielded unimodal posterior distributions. These findings provide fundamental insights into signal selection for estimating cardiovascular dynamics.

physics.med-ph↗
arXiv2026

MetaCaDI: A Meta-Learning Framework for Causal Discovery from Multiple Environments with Unknown Interventions

Uncovering the causal mechanisms of complex real-world systems remains a significant challenge, as these systems often entail high data collection costs and involve unknown interventions. We introduce MetaCaDI, the first framework to cast the identification of unknown interventions as a meta-learning problem, explicitly leveraging a jointly learned causal graph. MetaCaDI is a Bayesian framework that learns a shared causal structure across multiple environments and is optimized to rapidly adapt to new, few-shot intervention target identification tasks. A key innovation is our model's analytical adaptation, which uses a closed-form solution to bypass expensive and potentially unstable gradient-based bilevel optimization. Extensive experiments on synthetic and complex gene expression data demonstrate that MetaCaDI significantly outperforms state-of-the-art methods. It excels at identifying intervention targets from as few as 3 samples - where existing methods collapse to random chance - while robustly recovering the shared causal graph, proving its effectiveness in data-scarce scenarios.

stat.ML↗
arXiv2026

Labeled-Data-Free Meta-Learning: Efficient Task Generation Using Pre-trained Models and Unlabeled Data

Meta-learning without labeled data is crucial for real-world applications, where obtaining labeled datasets can be expensive or restricted due to privacy concerns. Data-Free Meta-Learning (DFML) addresses this challenge by leveraging pre-trained models without access to training data. However, existing DFML methods rely on model inversion to generate training data, a process that is generally difficult and computationally expensive due to the need to generate high-dimensional data matching the original distribution. To address this limitation, we propose a novel meta-learning setting that avoids model inversion by jointly leveraging pre-trained models and unlabeled data. Our method generates meta-training tasks by assigning soft labels from pre-trained models to unlabeled data. Since the quality of these tasks can vary, we introduce a task-weighting mechanism based on task confidence and class distribution balance to ensure effective meta-learning. Extensive experiments demonstrate that our approach substantially reduces computational cost and improves generalization, achieving up to 104-fold speedup and 8.4 percent to 36.4 percent improvements in few-shot classification accuracy compared to state-of-the-art DFML methods.

cs.LG↗
arXiv2026

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.

cs.LG↗
arXiv2026

Relative Density Ratio Optimization for Stable and Statistically Consistent Model Alignment

Aligning language models with human preferences is essential for ensuring their safety and reliability. Although most existing approaches assume specific human preference models such as the Bradley-Terry model, this assumption may fail to accurately capture true human preferences, and consequently, these methods lack statistical consistency, i.e., the guarantee that language models converge to the true human preference as the number of samples increases. In contrast, direct density ratio optimization (DDRO) achieves statistical consistency without assuming any human preference models. DDRO models the density ratio between preferred and non-preferred data distributions using the language model, and then optimizes it via density ratio estimation. However, this density ratio is unstable and often diverges, leading to training instability of DDRO. In this paper, we propose a novel alignment method that is both stable and statistically consistent. Our approach is based on the relative density ratio between the preferred data distribution and a mixture of the preferred and non-preferred data distributions. Our approach is stable since this relative density ratio is bounded above and does not diverge. Moreover, it is statistically consistent and yields significantly tighter convergence guarantees than DDRO. We experimentally show its effectiveness with Qwen 2.5 and Llama 3.

cs.LG↗
arXiv2026

A Representer Theorem for Hawkes Processes via Penalized Least Squares Minimization

The representer theorem is a cornerstone of kernel methods, which aim to estimate latent functions in reproducing kernel Hilbert spaces (RKHSs) in a nonparametric manner. Its significance lies in converting inherently infinite-dimensional optimization problems into finite-dimensional ones over dual coefficients, thereby enabling practical and computationally tractable algorithms. In this paper, we address the problem of estimating the latent triggering kernels--functions that encode the interaction structure between events--for linear multivariate Hawkes processes based on observed event sequences within an RKHS framework. We show that, under the principle of penalized least squares minimization, a novel form of representer theorem emerges: a family of transformed kernels can be defined via a system of simultaneous integral equations, and the optimal estimator of each triggering kernel is expressed as a linear combination of these transformed kernels evaluated at the data points. Remarkably, the dual coefficients are all analytically fixed to unity, obviating the need to solve a costly optimization problem to obtain the dual coefficients. This leads to a highly efficient estimator capable of handling large-scale data more effectively than conventional nonparametric approaches. Empirical evaluations on synthetic datasets reveal that the proposed method attains competitive predictive accuracy while substantially improving computational efficiency over existing state-of-the-art kernel method-based estimators.

stat.ML↗
arXiv2025

Data-driven Projection Generation for Efficiently Solving Heterogeneous Quadratic Programming Problems

We propose a data-driven framework for efficiently solving quadratic programming (QP) problems by reducing the number of variables in high-dimensional QPs using instance-specific projection. A graph neural network-based model is designed to generate projections tailored to each QP instance, enabling us to produce high-quality solutions even for previously unseen problems. The model is trained on heterogeneous QPs to minimize the expected objective value evaluated on the projected solutions. This is formulated as a bilevel optimization problem; the inner optimization solves the QP under a given projection using a QP solver, while the outer optimization updates the model parameters. We develop an efficient algorithm to solve this bilevel optimization problem, which computes parameter gradients without backpropagating through the solver. We provide a theoretical analysis of the generalization ability of solving QPs with projection matrices generated by neural networks. Experimental results demonstrate that our method produces high-quality feasible solutions with reduced computation time, outperforming existing methods.

stat.ML↗
arXiv2025

Concept Unlearning in Large Language Models via Self-Constructed Knowledge Triplets

Machine Unlearning (MU) has recently attracted considerable attention as a solution to privacy and copyright issues in large language models (LLMs). Existing MU methods aim to remove specific target sentences from an LLM while minimizing damage to unrelated knowledge. However, these approaches require explicit target sentences and do not support removing broader concepts, such as persons or events. To address this limitation, we introduce Concept Unlearning (CU) as a new requirement for LLM unlearning. We leverage knowledge graphs to represent the LLM's internal knowledge and define CU as removing the forgetting target nodes and associated edges. This graph-based formulation enables a more intuitive unlearning and facilitates the design of more effective methods. We propose a novel method that prompts the LLM to generate knowledge triplets and explanatory sentences about the forgetting target and applies the unlearning process to these representations. Our approach enables more precise and comprehensive concept removal by aligning the unlearning process with the LLM's internal knowledge representations. Experiments on real-world and synthetic datasets demonstrate that our method effectively achieves concept-level unlearning while preserving unrelated knowledge.

cs.CL↗
arXiv2025

Meta-learning Representations for Learning from Multiple Annotators

We propose a meta-learning method for learning from multiple noisy annotators. In many applications such as crowdsourcing services, labels for supervised learning are given by multiple annotators. Since the annotators have different skills or biases, given labels can be noisy. To learn accurate classifiers, existing methods require many noisy annotated data. However, sufficient data might be unavailable in practice. To overcome the lack of data, the proposed method uses labeled data obtained in different but related tasks. The proposed method embeds each example in tasks to a latent space by using a neural network and constructs a probabilistic model for learning a task-specific classifier while estimating annotators' abilities on the latent space. This neural network is meta-learned to improve the expected test classification performance when the classifier is adapted to a given small amount of annotated data. This classifier adaptation is performed by maximizing the posterior probability via the expectation-maximization (EM) algorithm. Since each step in the EM algorithm is easily computed as a closed-form and is differentiable, the proposed method can efficiently backpropagate the loss through the EM algorithm to meta-learn the neural network. We show the effectiveness of our method with real-world datasets with synthetic noise and real-world crowdsourcing datasets.

cs.LG↗
arXiv2025

K$^2$IE: Kernel Method-based Kernel Intensity Estimators for Inhomogeneous Poisson Processes

Kernel method-based intensity estimators, formulated within reproducing kernel Hilbert spaces (RKHSs), and classical kernel intensity estimators (KIEs) have been among the most easy-to-implement and feasible methods for estimating the intensity functions of inhomogeneous Poisson processes. While both approaches share the term "kernel", they are founded on distinct theoretical principles, each with its own strengths and limitations. In this paper, we propose a novel regularized kernel method for Poisson processes based on the least squares loss and show that the resulting intensity estimator involves a specialized variant of the representer theorem: it has the dual coefficient of unity and coincides with classical KIEs. This result provides new theoretical insights into the connection between classical KIEs and kernel method-based intensity estimators, while enabling us to develop an efficient KIE by leveraging advanced techniques from RKHS theory. We refer to the proposed model as the kernel method-based kernel intensity estimator (K$^2$IE). Through experiments on synthetic datasets, we show that K$^2$IE achieves comparable predictive performance while significantly surpassing the state-of-the-art kernel method-based estimator in computational efficiency.

stat.ML↗
arXiv2025

Deep Koopman-layered Model with Universal Property Based on Toeplitz Matrices

We propose deep Koopman-layered models with learnable parameters in the form of Toeplitz matrices for analyzing the transition of the dynamics of time-series data. The proposed model has both theoretical solidness and flexibility. By virtue of the universal property of Toeplitz matrices and the reproducing property underlying the model, we show its universality and generalization property. In addition, the flexibility of the proposed model enables the model to fit time-series data coming from nonautonomous dynamical systems. When training the model, we apply Krylov subspace methods for efficient computations, which establish a new connection between Koopman operators and numerical linear algebra. We also empirically demonstrate that the proposed model outperforms existing methods on eigenvalue estimation of multiple Koopman operators for nonautonomous systems.

cs.LG↗
arXiv2025

Positive-Unlabeled Diffusion Models for Preventing Sensitive Data Generation

Diffusion models are powerful generative models but often generate sensitive data that are unwanted by users, mainly because the unlabeled training data frequently contain such sensitive data. Since labeling all sensitive data in the large-scale unlabeled training data is impractical, we address this problem by using a small amount of labeled sensitive data. In this paper, we propose positive-unlabeled diffusion models, which prevent the generation of sensitive data using unlabeled and sensitive data. Our approach can approximate the evidence lower bound (ELBO) for normal (negative) data using only unlabeled and sensitive (positive) data. Therefore, even without labeled normal data, we can maximize the ELBO for normal data and minimize it for labeled sensitive data, ensuring the generation of only normal data. Through experiments across various datasets and settings, we demonstrated that our approach can prevent the generation of sensitive images without compromising image quality.

cs.LG↗
arXiv2025

Deep Positive-Unlabeled Anomaly Detection for Contaminated Unlabeled Data

Semi-supervised anomaly detection, which aims to improve the anomaly detection performance by using a small amount of labeled anomaly data in addition to unlabeled data, has attracted attention. Existing semi-supervised approaches assume that most unlabeled data are normal, and train anomaly detectors by minimizing the anomaly scores for the unlabeled data while maximizing those for the labeled anomaly data. However, in practice, the unlabeled data are often contaminated with anomalies. This weakens the effect of maximizing the anomaly scores for anomalies, and prevents us from improving the detection performance. To solve this problem, we propose the deep positive-unlabeled anomaly detection framework, which integrates positive-unlabeled learning with deep anomaly detection models such as autoencoders and deep support vector data descriptions. Our approach enables the approximation of anomaly scores for normal data using the unlabeled data and the labeled anomaly data. Therefore, without labeled normal data, our approach can train anomaly detectors by minimizing the anomaly scores for normal data while maximizing those for the labeled anomaly data. Experiments on various datasets show that our approach achieves better detection performance than existing approaches.

stat.ML↗
arXiv2024

Meta-learning for Positive-unlabeled Classification

We propose a meta-learning method for positive and unlabeled (PU) classification, which improves the performance of binary classifiers obtained from only PU data in unseen target tasks. PU learning is an important problem since PU data naturally arise in real-world applications such as outlier detection and information retrieval. Existing PU learning methods require many PU data, but sufficient data are often unavailable in practice. The proposed method minimizes the test classification risk after the model is adapted to PU data by using related tasks that consist of positive, negative, and unlabeled data. We formulate the adaptation as an estimation problem of the Bayes optimal classifier, which is an optimal classifier to minimize the classification risk. The proposed method embeds each instance into a task-specific space using neural networks. With the embedded PU data, the Bayes optimal classifier is estimated through density-ratio estimation of PU densities, whose solution is obtained as a closed-form solution. The closed-form solution enables us to efficiently and effectively minimize the test classification risk. We empirically show that the proposed method outperforms existing methods with one synthetic and three real-world datasets.

cs.LG↗
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↗