arXiv subjects

Takashi Matsubara

Publications and source records attributed to Takashi Matsubara.

At least 19 recordsLinked to original sources

arXiv2026

Be Tangential to Manifold: Discovering Riemannian Metric for Diffusion Models

Diffusion models are powerful deep generative models, but unlike classical models, they lack an explicit low-dimensional latent space that parameterizes the data manifold. This absence makes it difficult to perform manifold-aware operations, such as geometrically faithful interpolation or conditional guidance that respects the learned manifold. We propose a training-free Riemannian metric on the noise space, derived from the Jacobian of the score function. The key insight is that the spectral structure of this Jacobian separates tangent and normal directions of the data manifold; our metric leverages this separation to encourage paths to stay tangential to the manifold rather than drift toward high-density regions. To validate that our metric faithfully captures the manifold geometry, we examine it from two complementary angles. First, geodesics under our metric yield perceptually more natural interpolations than existing methods on synthetic, image, and video frame datasets. Second, the tangent-normal decomposition induced by our metric prevents classifier-free guidance from deviating off the manifold, improving generation quality while preserving text-image alignment.

cs.CV↗

arXiv2026

PINNs Failure Modes are Overfitting

Physics-Informed Neural Networks (PINNs) are a common class of machine learning-based partial differential equation (PDE) solvers which train a network to represent a solution by minimizing a residual loss that encodes the PDE. Despite their successes, they are known to fail on certain simple equations, converging to an incorrect solution despite low loss. These failure modes have garnered significant attention in the literature over the past several years, motivating both architectural and optimization based solutions. By directly visualizing the residual, we show that failure modes are the result of overfitting: the loss is minimized on the collocation points, but not elsewhere. Applying regularization causes the failure modes to vanish. Finally, we extend double backpropagation over the full set of residuals, and use it to achieve state-of-the-art performance on four standard failure mode equations with up to $23\times$ fewer collocation points and a vanilla architecture.

cs.LG↗

arXiv2026

Symplectic Neural Operators for Learning Infinite Dimensional Hamiltonian Systems

The modeling and simulation of infinite-dimensional Hamiltonian systems are central problems in mathematical physics and engineering, however they pose significant computational and structural challenges for standard data-driven architectures. In this work, we introduce the Symplectic Neural Operator, a neural operator architecture designed to preserve the symplectic structure intrinsic to Hamiltonian PDEs. We provide a theoretical characterization of their symplecticity and establish a rigorous long-term stability result based on the combination of symplectic structure preservation and learning accuracy. Numerical experiments on canonical Hamiltonian PDEs corroborate this theoretical result and show that SNOs exhibit improved energy behavior compared with non-structure-preserving neural operators.

math.DS↗

arXiv2026

Object-Centric World Models for Causality-Aware Reinforcement Learning

World models have been developed to support sample-efficient deep reinforcement learning agents. However, it remains challenging for world models to accurately replicate environments that are high-dimensional, non-stationary, and composed of multiple objects with rich interactions since most world models learn holistic representations of all environmental components. By contrast, humans perceive the environment by decomposing it into discrete objects, facilitating efficient decision-making. Motivated by this insight, we propose \emph{Slot Transformer Imagination with CAusality-aware reinforcement learning} (STICA), a unified framework in which object-centric Transformers serve as the world model and causality-aware policy and value networks. STICA represents each observation as a set of object-centric tokens, together with tokens for the agent action and the resulting reward, enabling the world model to predict token-level dynamics and interactions. The policy and value networks then estimate token-level cause--effect relations and use them in the attention layers, yielding causality-guided decision-making. Experiments on object-rich benchmarks demonstrate that STICA consistently outperforms state-of-the-art agents in both sample efficiency and final performance.

cs.LG↗

arXiv2026

PHyCLIP: $\ell_1$-Product of Hyperbolic Factors Unifies Hierarchy and Compositionality in Vision-Language Representation Learning

Vision-language models have achieved remarkable success in multi-modal representation learning from large-scale pairs of visual scenes and linguistic descriptions. However, they still struggle to simultaneously express two distinct types of semantic structures: the hierarchy within a concept family (e.g., dog $\preceq$ mammal $\preceq$ animal) and the compositionality across different concept families (e.g., "a dog in a car" $\preceq$ dog, car). Recent works have addressed this challenge by employing hyperbolic space, which efficiently captures tree-like hierarchy, yet its suitability for representing compositionality remains unclear. To resolve this dilemma, we propose PHyCLIP, which employs an $\ell_1$-Product metric on a Cartesian product of Hyperbolic factors. With our design, intra-family hierarchies emerge within individual hyperbolic factors, and cross-family composition is captured by the $\ell_1$-product metric, analogous to a Boolean algebra. Experiments on zero-shot classification, retrieval, hierarchical classification, and compositional understanding tasks demonstrate that PHyCLIP outperforms existing single-space approaches and offers more interpretable structures in the embedding space.

cs.CV↗

arXiv2026

ODEBrain: Continuous-Time EEG Graph for Modeling Dynamic Brain Networks

Modeling neural population dynamics is crucial for foundational neuroscientific research and various clinical applications. Conventional latent variable methods typically model continuous brain dynamics through discretizing time with recurrent architecture, which necessarily results in compounded cumulative prediction errors and failure of capturing instantaneous, nonlinear characteristics of EEGs. We propose ODEBRAIN, a Neural ODE latent dynamic forecasting framework to overcome these challenges by integrating spatio-temporal-frequency features into spectral graph nodes, followed by a Neural ODE modeling the continuous latent dynamics. Our design ensures that latent representations can capture stochastic variations of complex brain states at any given time point. Extensive experiments verify that ODEBRAIN can improve significantly over existing methods in forecasting EEG dynamics with enhanced robustness and generalization capabilities.

cs.AI↗

arXiv2026

RepSPD: Enhancing SPD Manifold Representation in EEGs via Dynamic Graphs

Decoding brain activity from electroencephalography (EEG) is crucial for neuroscience and clinical applications. Among recent advances in deep learning for EEG, geometric learning stands out as its theoretical underpinnings on symmetric positive definite (SPD) allows revealing structural connectivity analysis in a physics-grounded manner. However, current SPD-based methods focus predominantly on statistical aggregation of EEGs, with frequency-specific synchronization and local topological structures of brain regions neglected. Given this, we propose RepSPD, a novel geometric deep learning (GDL)-based model. RepSPD implements a cross-attention mechanism on the Riemannian manifold to modulate the geometric attributes of SPD with graph-derived functional connectivity features. On top of this, we introduce a global bidirectional alignment strategy to reshape tangent-space embeddings, mitigating geometric distortions caused by curvature and thereby enhancing geometric consistency. Extensive experiments demonstrate that our proposed framework significantly outperforms existing EEG representation methods, exhibiting superior robustness and generalization capabilities.

cs.AI↗

arXiv2025

Image Interpolation with Score-based Riemannian Metrics of Diffusion Models

Diffusion models excel in content generation by implicitly learning the data manifold, yet they lack a practical method to leverage this manifold - unlike other deep generative models equipped with latent spaces. This paper introduces a novel framework that treats the data space of pre-trained diffusion models as a Riemannian manifold, with a metric derived from the score function. Experiments with MNIST and Stable Diffusion show that this geometry-aware approach yields image interpolations that are more realistic, less noisy, and more faithful to prompts than existing methods, demonstrating its potential for improved content generation and editing.

cs.CV↗

arXiv2025

Learning Hamiltonian Density Using DeepONet

In recent years, deep learning for modeling physical phenomena which can be described by partial differential equations (PDEs) have received significant attention. For example, for learning Hamiltonian mechanics, methods based on deep neural networks such as Hamiltonian Neural Networks (HNNs) and their variants have achieved progress. However, existing methods typically depend on the discretization of data, and the determination of required differential operators is often necessary. Instead, in this work, we propose an operator learning approach for modeling wave equations. In particular, we present a method to compute the variational derivatives that are needed to formulate the equations using the automatic differentiation algorithm. The experiments demonstrated that the proposed method is able to learn the operator that defines the Hamiltonian density of waves from data with unspecific discretization without determination of the differential operators.

cs.LG↗

arXiv2024

Number Theoretic Accelerated Learning of Physics-Informed Neural Networks

Physics-informed neural networks solve partial differential equations by training neural networks. Since this method approximates infinite-dimensional PDE solutions with finite collocation points, minimizing discretization errors by selecting suitable points is essential for accelerating the learning process. Inspired by number theoretic methods for numerical analysis, we introduce good lattice training and periodization tricks, which ensure the conditions required by the theory. Our experiments demonstrate that GLT requires 2-7 times fewer collocation points, resulting in lower computational cost, while achieving competitive performance compared to typical sampling methods.

cs.LG↗

arXiv2024

Poisson-Dirac Neural Networks for Modeling Coupled Dynamical Systems across Domains

Deep learning has achieved great success in modeling dynamical systems, providing data-driven simulators to predict complex phenomena, even without known governing equations. However, existing models have two major limitations: their narrow focus on mechanical systems and their tendency to treat systems as monolithic. These limitations reduce their applicability to dynamical systems in other domains, such as electrical and hydraulic systems, and to coupled systems. To address these limitations, we propose Poisson-Dirac Neural Networks (PoDiNNs), a novel framework based on the Dirac structure that unifies the port-Hamiltonian and Poisson formulations from geometric mechanics. This framework enables a unified representation of various dynamical systems across multiple domains as well as their interactions and degeneracies arising from couplings. Our experiments demonstrate that PoDiNNs offer improved accuracy and interpretability in modeling unknown coupled dynamical systems from data.

cs.LG↗

arXiv2024

Predicated Diffusion: Predicate Logic-Based Attention Guidance for Text-to-Image Diffusion Models

Diffusion models have achieved remarkable results in generating high-quality, diverse, and creative images. However, when it comes to text-based image generation, they often fail to capture the intended meaning presented in the text. For instance, a specified object may not be generated, an unnecessary object may be generated, and an adjective may alter objects it was not intended to modify. Moreover, we found that relationships indicating possession between objects are often overlooked. While users' intentions in text are diverse, existing methods tend to specialize in only some aspects of these. In this paper, we propose Predicated Diffusion, a unified framework to express users' intentions. We consider that the root of the above issues lies in the text encoder, which often focuses only on individual words and neglects the logical relationships between them. The proposed method does not solely rely on the text encoder, but instead, represents the intended meaning in the text as propositions using predicate logic and treats the pixels in the attention maps as the fuzzy predicates. This enables us to obtain a differentiable loss function that makes the image fulfill the proposition by minimizing it. When compared to several existing methods, we demonstrated that Predicated Diffusion can generate images that are more faithful to various text prompts, as verified by human evaluators and pretrained image-text models.

cs.CV↗

arXiv2023

Deep Curvilinear Editing: Commutative and Nonlinear Image Manipulation for Pretrained Deep Generative Model

Semantic editing of images is the fundamental goal of computer vision. Although deep learning methods, such as generative adversarial networks (GANs), are capable of producing high-quality images, they often do not have an inherent way of editing generated images semantically. Recent studies have investigated a way of manipulating the latent variable to determine the images to be generated. However, methods that assume linear semantic arithmetic have certain limitations in terms of the quality of image editing, whereas methods that discover nonlinear semantic pathways provide non-commutative editing, which is inconsistent when applied in different orders. This study proposes a novel method called deep curvilinear editing (DeCurvEd) to determine semantic commuting vector fields on the latent space. We theoretically demonstrate that owing to commutativity, the editing of multiple attributes depends only on the quantities and not on the order. Furthermore, we experimentally demonstrate that compared to previous methods, the nonlinear and commutative nature of DeCurvEd facilitates the disentanglement of image attributes and provides higher-quality editing.

cs.CV↗

arXiv2023

FINDE: Neural Differential Equations for Finding and Preserving Invariant Quantities

Many real-world dynamical systems are associated with first integrals (a.k.a. invariant quantities), which are quantities that remain unchanged over time. The discovery and understanding of first integrals are fundamental and important topics both in the natural sciences and in industrial applications. First integrals arise from the conservation laws of system energy, momentum, and mass, and from constraints on states; these are typically related to specific geometric structures of the governing equations. Existing neural networks designed to ensure such first integrals have shown excellent accuracy in modeling from data. However, these models incorporate the underlying structures, and in most situations where neural networks learn unknown systems, these structures are also unknown. This limitation needs to be overcome for scientific discovery and modeling of unknown systems. To this end, we propose first integral-preserving neural differential equation (FINDE). By leveraging the projection method and the discrete gradient method, FINDE finds and preserves first integrals from data, even in the absence of prior knowledge about underlying structures. Experimental results demonstrate that FINDE can predict future states of target systems much longer and find various quantities consistent with well-known first integrals in a unified manner.

cs.LG↗

arXiv2022

Automated Cancer Subtyping via Vector Quantization Mutual Information Maximization

Cancer subtyping is crucial for understanding the nature of tumors and providing suitable therapy. However, existing labelling methods are medically controversial, and have driven the process of subtyping away from teaching signals. Moreover, cancer genetic expression profiles are high-dimensional, scarce, and have complicated dependence, thereby posing a serious challenge to existing subtyping models for outputting sensible clustering. In this study, we propose a novel clustering method for exploiting genetic expression profiles and distinguishing subtypes in an unsupervised manner. The proposed method adaptively learns categorical correspondence from latent representations of expression profiles to the subtypes output by the model. By maximizing the problem -- agnostic mutual information between input expression profiles and output subtypes, our method can automatically decide a suitable number of subtypes. Through experiments, we demonstrate that our proposed method can refine existing controversial labels, and, by further medical analysis, this refinement is proven to have a high correlation with cancer survival rates.

cs.LG↗

arXiv2022

Cancer Subtyping by Improved Transcriptomic Features Using Vector Quantized Variational Autoencoder

Defining and separating cancer subtypes is essential for facilitating personalized therapy modality and prognosis of patients. The definition of subtypes has been constantly recalibrated as a result of our deepened understanding. During this recalibration, researchers often rely on clustering of cancer data to provide an intuitive visual reference that could reveal the intrinsic characteristics of subtypes. The data being clustered are often omics data such as transcriptomics that have strong correlations to the underlying biological mechanism. However, while existing studies have shown promising results, they suffer from issues associated with omics data: sample scarcity and high dimensionality. As such, existing methods often impose unrealistic assumptions to extract useful features from the data while avoiding overfitting to spurious correlations. In this paper, we propose to leverage a recent strong generative model, Vector Quantized Variational AutoEncoder (VQ-VAE), to tackle the data issues and extract informative latent features that are crucial to the quality of subsequent clustering by retaining only information relevant to reconstructing the input. VQ-VAE does not impose strict assumptions and hence its latent features are better representations of the input, capable of yielding superior clustering performance with any mainstream clustering method. Extensive experiments and medical analysis on multiple datasets comprising 10 distinct cancers demonstrate the VQ-VAE clustering results can significantly and robustly improve prognosis over prevalent subtyping systems.

cs.LG↗

arXiv2022

KAM Theory Meets Statistical Learning Theory: Hamiltonian Neural Networks with Non-Zero Training Loss

Many physical phenomena are described by Hamiltonian mechanics using an energy function (the Hamiltonian). Recently, the Hamiltonian neural network, which approximates the Hamiltonian as a neural network, and its extensions have attracted much attention. This is a very powerful method, but its use in theoretical studies remains limited. In this study, by combining the statistical learning theory and Kolmogorov-Arnold-Moser (KAM) theory, we provide a theoretical analysis of the behavior of Hamiltonian neural networks when the learning error is not completely zero. A Hamiltonian neural network with non-zero errors can be considered as a perturbation from the true dynamics, and the perturbation theory of the Hamilton equation is widely known as the KAM theory. To apply the KAM theory, we provide a generalization error bound for Hamiltonian neural networks by deriving an estimate of the covering number of the gradient of the multi-layer perceptron, which is the key ingredient of the model. This error bound gives an $L^\infty$ bound on the Hamiltonian that is required in the application of the KAM theory.

math.DS↗

arXiv2021

An Error Analysis Framework for Neural Network Modeling of Dynamical Systems

We propose a theoretical framework for investigating a modeling error caused by numerical integration in the learning process of dynamics. Recently, learning equations of motion to describe dynamics from data using neural networks has been attracting attention. During such training, numerical integration is used to compare the data with the solution of the neural network model; however, discretization errors due to numerical integration prevent the model from being trained correctly. In this study, we formulate the modeling error using the Dahlquist test equation that is commonly used in the analysis of numerical methods and apply it to some of the Runge--Kutta methods.

math.NA↗