Invertible neural networks (INNs) are neural network architectures with invertibility by design. Thanks to their invertibility and the tractability of their Jacobians, INNs have various machine learning applications such as probabilistic modeling, generative modeling, and representation learning. However, their attractive properties often come at the cost of restricting the layer design, which poses a question on their representation power: can we use these models to approximate sufficiently diverse functions? To answer this question, we have developed a general theoretical framework to investigate the representation power of INNs, building on a structure theorem of differential geometry. The framework simplifies the approximation problem of diffeomorphisms, which enables us to show the universal approximation properties of INNs. We apply the framework to two representative classes of INNs, namely Coupling-Flow-based INNs (CF-INNs) and Neural Ordinary Differential Equations (NODEs), and elucidate their high representation power despite the restrictions on their architectures.

Approximate Bayesian computation (ABC) is a likelihood-free inference method that has been employed in various applications. However, ABC can be sensitive to outliers if a data discrepancy measure is chosen inappropriately. In this paper, we propose to use a nearest-neighbor-based γ-divergence estimator as a data discrepancy measure. We show that our estimator possesses a suitable robustness property called the redescending property. In addition, our estimator enjoys various desirable properties such as high flexibility, asymptotic unbiasedness, almost sure convergence, and linear time complexity. Through experiments, we demonstrate that our method achieves significantly higher robustness than existing discrepancy measures.

Density ratio estimation (DRE) is at the core of various machine learning tasks such as anomaly detection and domain adaptation. In the DRE literature, existing studies have extensively studied methods based on Bregman divergence (BD) minimization. However, when we apply the BD minimization with highly flexible models, such as deep neural networks, it tends to suffer from what we call train-loss hacking, which is a source of over-fitting caused by a typical characteristic of empirical BD estimators. In this paper, to mitigate train-loss hacking, we propose non-negative correction for empirical BD estimators. Theoretically, we confirm the soundness of the proposed method through a generalization error bound. In our experiments, the proposed methods show favorable performances in inlier-based outlier detection.

Causal graphs (CGs) are compact representations of the knowledge of the data generating processes behind the data distributions. When a CG is available, e.g., from the domain knowledge, we can infer the conditional independence (CI) relations that should hold in the data distribution. However, it is not straightforward how to incorporate this knowledge into predictive modeling. In this work, we propose a model-agnostic data augmentation method that allows us to exploit the prior knowledge of the CI encoded in a CG for supervised machine learning. We theoretically justify the proposed method by providing an excess risk bound indicating that the proposed method suppresses overfitting by reducing the apparent complexity of the predictor hypothesis class. Using real-world data with CGs provided by domain experts, we experimentally show that the proposed method is effective in improving the prediction accuracy, especially in the small-data regime.

We study few-shot supervised domain adaptation (DA) for regression problems, where only a few labeled target domain data and many labeled source domain data are available. Many of the current DA methods base their transfer assumptions on either parametrized distribution shift or apparent distribution similarities, e.g., identical conditionals or small distributional discrepancies. However, these assumptions may preclude the possibility of adaptation from intricately shifted and apparently very different distributions. To overcome this problem, we propose mechanism transfer, a meta-distributional scenario in which a data generating mechanism is invariant among domains. This transfer assumption can accommodate nonparametric shifts resulting in apparently different distributions while providing a solid statistical basis for DA. We take the structural equations in causal modeling as an example and propose a novel DA method, which is shown to be useful both theoretically and experimentally. Our method can be seen as the first attempt to fully leverage the invariance of structural causal models for DA.

Invertible neural networks based on coupling flows (CF-INNs) have various machine learning applications such as image synthesis and representation learning. However, their desirable characteristics such as analytic invertibility come at the cost of restricting the functional forms. This poses a question on their representation power: are CF-INNs universal approximators for invertible functions? Without a universality, there could be a well-behaved invertible transformation that the CF-INN can never approximate, hence it would render the model class unreliable. We answer this question by showing a convenient criterion: a CF-INN is universal if its layers contain affine coupling and invertible linear functions as special cases. As its corollary, we can affirmatively resolve a previously unsolved problem: whether normalizing flow models based on affine coupling can be universal distributional approximators. In the course of proving the universality, we prove a general theorem to show the equivalence of the universality for certain diffeomorphism classes, a theoretical insight that is of interest by itself.