Shin-ichi Maeda

Yuri Kinoshita, Kenta Oono, Kenji Fukumizu et al.

Variational autoencoders (VAEs) are one of the deep generative models that have experienced enormous success over the past decades. However, in practice, they suffer from a problem called posterior collapse, which occurs when the encoder coincides, or collapses, with the prior taking no information from the latent structure of the input data into consideration. In this work, we introduce an inverse Lipschitz neural network into the decoder and, based on this architecture, provide a new method that can control in a simple and clear manner the degree of posterior collapse for a wide range of VAE models equipped with a concrete theoretical guarantee. We also illustrate the effectiveness of our method through several numerical experiments.

Kenta Oono, Nontawat Charoenphakdee, Kotatsu Bito et al.

Virtual Human Generative Model (VHGM) is a generative model that approximates the joint probability over more than 2000 human healthcare-related attributes. This paper presents the core algorithm, VHGM-MAE, a masked autoencoder (MAE) tailored for handling high-dimensional, sparse healthcare data. VHGM-MAE tackles four key technical challenges: (1) heterogeneity of healthcare data types, (2) probability distribution modeling, (3) systematic missingness in the training dataset arising from multiple data sources, and (4) the high-dimensional, small-$n$-large-$p$ problem. To address these challenges, VHGM-MAE employs a likelihood-based approach to model distributions with heterogeneous types, a transformer-based MAE to capture complex dependencies among observed and missing attributes, and a novel training scheme that effectively leverages available samples with diverse missingness patterns to mitigate the small-n-large-p problem. Experimental results demonstrate that VHGM-MAE outperforms existing methods in both missing value imputation and synthetic data generation.

Ryu Tadokoro, Tsukasa Takagi, Shin-ichi Maeda

In semantic segmentation, the accuracy of models heavily depends on the high-quality annotations. However, in many practical scenarios, such as medical imaging and remote sensing, obtaining true annotations is not straightforward and usually requires significant human labor. Relying on human labor often introduces annotation errors, including mislabeling, omissions, and inconsistency between annotators. In the case of remote sensing, differences in procurement time can lead to misaligned ground-truth annotations. These label errors are not independently distributed, and instead usually appear in spatially connected regions where adjacent pixels are more likely to share the same errors. To address these issues, we propose an approximate Bayesian estimation based on a probabilistic model that assumes training data include label errors, incorporating the tendency for these errors to occur with spatial correlations between adjacent pixels. However, Bayesian inference for such spatially correlated discrete variables is notoriously intractable. To overcome this fundamental challenge, we introduce a novel class of probabilistic models, which we term the ELBO-Computable Correlated Discrete Distribution (ECCD). By representing the discrete dependencies through a continuous latent Gaussian field with a Kac-Murdock-Szegö (KMS) structured covariance, our framework enables scalable and efficient variational inference for problems previously considered computationally prohibitive. Through experiments on multiple segmentation tasks, we confirm that leveraging the spatial correlation of label errors significantly improves performance. Notably, in specific tasks such as lung segmentation, the proposed method achieves performance comparable to training with clean labels under moderate noise levels. Code is available at https://github.com/pfnet-research/Bayesian_SpatialCorr.

Yasuhiro Fujita, Shin-ichi Maeda

Many continuous control tasks have bounded action spaces. When policy gradient methods are applied to such tasks, out-of-bound actions need to be clipped before execution, while policies are usually optimized as if the actions are not clipped. We propose a policy gradient estimator that exploits the knowledge of actions being clipped to reduce the variance in estimation. We prove that our estimator, named clipped action policy gradient (CAPG), is unbiased and achieves lower variance than the conventional estimator that ignores action bounds. Experimental results demonstrate that CAPG generally outperforms the conventional estimator, indicating that it is a better policy gradient estimator for continuous control tasks. The source code is available at https://github.com/pfnet-research/capg.

Tsukasa Takagi, Shinya Ishizaki, Shin-ichi Maeda

Image denoising is a representative image restoration task in computer vision. Recent progress of image denoising from only noisy images has attracted much attention. Deep image prior (DIP) demonstrated successful image denoising from only a noisy image by inductive bias of convolutional neural network architectures without any pre-training. The major challenge of DIP based image denoising is that DIP would completely recover the original noisy image unless applying early stopping. For early stopping without a ground-truth clean image, we propose to monitor JPEG file size of the recovered image during optimization as a proxy metric of noise levels in the recovered image. Our experiments show that the compressed image file size works as an effective metric for early stopping.

Aditya Ganeshan, Alexis Vallet, Yasunori Kudo et al.

Deep learning models for semantic segmentation rely on expensive, large-scale, manually annotated datasets. Labelling is a tedious process that can take hours per image. Automatically annotating video sequences by propagating sparsely labeled frames through time is a more scalable alternative. In this work, we propose a novel label propagation method, termed Warp-Refine Propagation, that combines semantic cues with geometric cues to efficiently auto-label videos. Our method learns to refine geometrically-warped labels and infuse them with learned semantic priors in a semi-supervised setting by leveraging cycle consistency across time. We quantitatively show that our method improves label-propagation by a noteworthy margin of 13.1 mIoU on the ApolloScape dataset. Furthermore, by training with the auto-labelled frames, we achieve competitive results on three semantic-segmentation benchmarks, improving the state-of-the-art by a large margin of 1.8 and 3.61 mIoU on NYU-V2 and KITTI, while matching the current best results on Cityscapes.

Hiroaki Mikami, Kenji Fukumizu, Shogo Murai et al.

Synthetic-to-real transfer learning is a framework in which a synthetically generated dataset is used to pre-train a model to improve its performance on real vision tasks. The most significant advantage of using synthetic images is that the ground-truth labels are automatically available, enabling unlimited expansion of the data size without human cost. However, synthetic data may have a huge domain gap, in which case increasing the data size does not improve the performance. How can we know that? In this study, we derive a simple scaling law that predicts the performance from the amount of pre-training data. By estimating the parameters of the law, we can judge whether we should increase the data or change the setting of image synthesis. Further, we analyze the theory of transfer learning by considering learning dynamics and confirm that the derived generalization bound is consistent with our empirical findings. We empirically validated our scaling law on various experimental settings of benchmark tasks, model sizes, and complexities of synthetic images.

Kuniyuki Takahashi, Wilson Ko, Avinash Ummadisingu et al.

Food packing industry workers typically pick a target amount of food by hand from a food tray and place them in containers. Since menus are diverse and change frequently, robots must adapt and learn to handle new foods in a short time-span. Learning to grasp a specific amount of granular food requires a large training dataset, which is challenging to collect reasonably quickly. In this study, we propose ways to reduce the necessary amount of training data by augmenting a deep neural network with models that estimate its uncertainty through self-supervised learning. To further reduce human effort, we devise a data collection system that automatically generates labels. We build on the idea that we can grasp sufficiently well if there is at least one low-uncertainty (high-confidence) grasp point among the various grasp point candidates. We evaluate the methods we propose in this work on a variety of granular foods -- coffee beans, rice, oatmeal and peanuts -- each of which has a different size, shape and material properties such as volumetric mass density or friction. For these foods, we show significantly improved grasp accuracy of user-specified target masses using smaller datasets by incorporating uncertainty.

Shin-ichi Maeda, Toshiki Nakanishi, Masanori Koyama

Meta-Learning is a family of methods that use a set of interrelated tasks to learn a model that can quickly learn a new query task from a possibly small contextual dataset. In this study, we use a probabilistic framework to formalize what it means for two tasks to be related and reframe the meta-learning problem into the problem of Bayesian risk minimization (BRM). In our formulation, the BRM optimal solution is given by the predictive distribution computed from the posterior distribution of the task-specific latent variable conditioned on the contextual dataset, and this justifies the philosophy of Neural Process. However, the posterior distribution in Neural Process violates the way the posterior distribution changes with the contextual dataset. To address this problem, we present a novel Gaussian approximation for the posterior distribution that generalizes the posterior of the linear Gaussian model. Unlike that of the Neural Process, our approximation of the posterior distributions converges to the maximum likelihood estimate with the same rate as the true posterior distribution. We also demonstrate the competitiveness of our approach on benchmark datasets.

Homanga Bharadhwaj, Shoichiro Yamaguchi, Shin-ichi Maeda

In this paper we target the problem of transferring policies across multiple environments with different dynamics parameters and motor noise variations, by introducing a framework that decouples the processes of policy learning and system identification. Efficiently transferring learned policies to an unknown environment with changes in dynamics configurations in the presence of motor noise is very important for operating robots in the real world, and our work is a novel attempt in that direction. We introduce MANGA: Method Agnostic Neural-policy Generalization and Adaptation, that trains dynamics conditioned policies and efficiently learns to estimate the dynamics parameters of the environment given off-policy state-transition rollouts in the environment. Our scheme is agnostic to the type of training method used - both reinforcement learning (RL) and imitation learning (IL) strategies can be used. We demonstrate the effectiveness of our approach by experimenting with four different MuJoCo agents and comparing against previously proposed transfer baselines.

Shin-ichi Maeda, Hayato Watahiki, Shintarou Okada et al.

Practical reinforcement learning problems are often formulated as constrained Markov decision process (CMDP) problems, in which the agent has to maximize the expected return while satisfying a set of prescribed safety constraints. In this study, we propose a novel simulator-based method to approximately solve a CMDP problem without making any compromise on the safety constraints. We achieve this by decomposing the CMDP into a pair of MDPs; reconnaissance MDP and planning MDP. The purpose of reconnaissance MDP is to evaluate the set of actions that are safe, and the purpose of planning MDP is to maximize the return while using the actions authorized by reconnaissance MDP. RMDP can define a set of safe policies for any given set of safety constraint, and this set of safe policies can be used to solve another CMDP problem with different reward. Our method is not only computationally less demanding than the previous simulator-based approaches to CMDP, but also capable of finding a competitive reward-seeking policy in a high dimensional environment, including those involving multiple moving obstacles.

Kohei Hayashi, Taiki Yamaguchi, Yohei Sugawara et al.

Tensor decomposition methods are widely used for model compression and fast inference in convolutional neural networks (CNNs). Although many decompositions are conceivable, only CP decomposition and a few others have been applied in practice, and no extensive comparisons have been made between available methods. Previous studies have not determined how many decompositions are available, nor which of them is optimal. In this study, we first characterize a decomposition class specific to CNNs by adopting a flexible graphical notation. The class includes such well-known CNN modules as depthwise separable convolution layers and bottleneck layers, but also previously unknown modules with nonlinear activations. We also experimentally compare the tradeoff between prediction accuracy and time/space complexity for modules found by enumerating all possible decompositions, or by using a neural architecture search. We find some nonlinear decompositions outperform existing ones.

Amir Najafi, Shin-ichi Maeda, Masanori Koyama et al.

What is the role of unlabeled data in an inference problem, when the presumed underlying distribution is adversarially perturbed? To provide a concrete answer to this question, this paper unifies two major learning frameworks: Semi-Supervised Learning (SSL) and Distributionally Robust Learning (DRL). We develop a generalization theory for our framework based on a number of novel complexity measures, such as an adversarial extension of Rademacher complexity and its semi-supervised analogue. Moreover, our analysis is able to quantify the role of unlabeled data in the generalization under a more general condition compared to the existing theoretical works in SSL. Based on our framework, we also present a hybrid of DRL and EM algorithms that has a guaranteed convergence rate. When implemented with deep neural networks, our method shows a comparable performance to those of the state-of-the-art on a number of real-world benchmark datasets.

Katsuhiko Ishiguro, Shin-ichi Maeda, Masanori Koyama

Graph Neural Network (GNN) is a popular architecture for the analysis of chemical molecules, and it has numerous applications in material and medicinal science. Current lines of GNNs developed for molecular analysis, however, do not fit well on the training set, and their performance does not scale well with the complexity of the network. In this paper, we propose an auxiliary module to be attached to a GNN that can boost the representation power of the model without hindering with the original GNN architecture. Our auxiliary module can be attached to a wide variety of GNNs, including those that are used commonly in biochemical applications. With our auxiliary architecture, the performances of many GNNs used in practice improve more consistently, achieving the state-of-the-art performance on popular molecular graph datasets.

Riku Arakawa, Sosuke Kobayashi, Yuya Unno et al.

Exploration has been one of the greatest challenges in reinforcement learning (RL), which is a large obstacle in the application of RL to robotics. Even with state-of-the-art RL algorithms, building a well-learned agent often requires too many trials, mainly due to the difficulty of matching its actions with rewards in the distant future. A remedy for this is to train an agent with real-time feedback from a human observer who immediately gives rewards for some actions. This study tackles a series of challenges for introducing such a human-in-the-loop RL scheme. The first contribution of this work is our experiments with a precisely modeled human observer: binary, delay, stochasticity, unsustainability, and natural reaction. We also propose an RL method called DQN-TAMER, which efficiently uses both human feedback and distant rewards. We find that DQN-TAMER agents outperform their baselines in Maze and Taxi simulated environments. Furthermore, we demonstrate a real-world human-in-the-loop RL application where a camera automatically recognizes a user's facial expressions as feedback to the agent while the agent explores a maze.

Hirotaka Akita, Kosuke Nakago, Tomoki Komatsu et al.

Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach to answer this question is to visualize evidence substructures responsible for the predictions. For chemical property prediction tasks, the sample size of the training data is often small and/or a label imbalance problem occurs, where a few samples belong to a single class and the majority of samples belong to the other classes. This can lead to uncertainty related to the learned parameters of the machine learning model. To address this uncertainty, we propose BayesGrad, utilizing the Bayesian predictive distribution, to define the importance of each node in an input graph, which is computed efficiently using the dropout technique. We demonstrate that BayesGrad successfully visualizes the substructures responsible for the label prediction in the artificial experiment, even when the sample size is small. Furthermore, we use a real dataset to evaluate the effectiveness of the visualization. The basic idea of BayesGrad is not limited to graph-structured data and can be applied to other data types.

Ken Nakanishi, Shin-ichi Maeda, Takeru Miyato et al.

This study presents a new lossy image compression method that utilizes the multi-scale features of natural images. Our model consists of two networks: multi-scale lossy autoencoder and parallel multi-scale lossless coder. The multi-scale lossy autoencoder extracts the multi-scale image features to quantized variables and the parallel multi-scale lossless coder enables rapid and accurate lossless coding of the quantized variables via encoding/decoding the variables in parallel. Our proposed model achieves comparable performance to the state-of-the-art model on Kodak and RAISE-1k dataset images, and it encodes a PNG image of size $768 \times 512$ in 70 ms with a single GPU and a single CPU process and decodes it into a high-fidelity image in approximately 200 ms.

Hai Nguyen, Shin-ichi Maeda, Kenta Oono

With the rapid increase of compound databases available in medicinal and material science, there is a growing need for learning representations of molecules in a semi-supervised manner. In this paper, we propose an unsupervised hierarchical feature extraction algorithm for molecules (or more generally, graph-structured objects with fixed number of types of nodes and edges), which is applicable to both unsupervised and semi-supervised tasks. Our method extends recently proposed Paragraph Vector algorithm and incorporates neural message passing to obtain hierarchical representations of subgraphs. We applied our method to an unsupervised task and demonstrated that it outperforms existing proposed methods in several benchmark datasets. We also experimentally showed that semi-supervised tasks enhanced predictive performance compared with supervised ones with labeled molecules only.

Sotetsu Koyamada, Yuta Kikuchi, Atsunori Kanemura et al.

We propose a new neural sequence model training method in which the objective function is defined by $α$-divergence. We demonstrate that the objective function generalizes the maximum-likelihood (ML)-based and reinforcement learning (RL)-based objective functions as special cases (i.e., ML corresponds to $α\to 0$ and RL to $α\to1$). We also show that the gradient of the objective function can be considered a mixture of ML- and RL-based objective gradients. The experimental results of a machine translation task show that minimizing the objective function with $α> 0$ outperforms $α\to 0$, which corresponds to ML-based methods.

Takeru Miyato, Shin-ichi Maeda, Masanori Koyama et al.

We propose a new regularization method based on virtual adversarial loss: a new measure of local smoothness of the conditional label distribution given input. Virtual adversarial loss is defined as the robustness of the conditional label distribution around each input data point against local perturbation. Unlike adversarial training, our method defines the adversarial direction without label information and is hence applicable to semi-supervised learning. Because the directions in which we smooth the model are only "virtually" adversarial, we call our method virtual adversarial training (VAT). The computational cost of VAT is relatively low. For neural networks, the approximated gradient of virtual adversarial loss can be computed with no more than two pairs of forward- and back-propagations. In our experiments, we applied VAT to supervised and semi-supervised learning tasks on multiple benchmark datasets. With a simple enhancement of the algorithm based on the entropy minimization principle, our VAT achieves state-of-the-art performance for semi-supervised learning tasks on SVHN and CIFAR-10.

Yohei Kondo, Kohei Hayashi, Shin-ichi Maeda

A common strategy for sparse linear regression is to introduce regularization, which eliminates irrelevant features by letting the corresponding weights be zeros. However, regularization often shrinks the estimator for relevant features, which leads to incorrect feature selection. Motivated by the above-mentioned issue, we propose Bayesian masking (BM), a sparse estimation method which imposes no regularization on the weights. The key concept of BM is to introduce binary latent variables that randomly mask features. Estimating the masking rates determines the relevance of the features automatically. We derive a variational Bayesian inference algorithm that maximizes the lower bound of the factorized information criterion (FIC), which is a recently developed asymptotic criterion for evaluating the marginal log-likelihood. In addition, we propose reparametrization to accelerate the convergence of the derived algorithm. Finally, we show that BM outperforms Lasso and automatic relevance determination (ARD) in terms of the sparsity-shrinkage trade-off.

Takeru Miyato, Shin-ichi Maeda, Masanori Koyama et al.

We propose local distributional smoothness (LDS), a new notion of smoothness for statistical model that can be used as a regularization term to promote the smoothness of the model distribution. We named the LDS based regularization as virtual adversarial training (VAT). The LDS of a model at an input datapoint is defined as the KL-divergence based robustness of the model distribution against local perturbation around the datapoint. VAT resembles adversarial training, but distinguishes itself in that it determines the adversarial direction from the model distribution alone without using the label information, making it applicable to semi-supervised learning. The computational cost for VAT is relatively low. For neural network, the approximated gradient of the LDS can be computed with no more than three pairs of forward and back propagations. When we applied our technique to supervised and semi-supervised learning for the MNIST dataset, it outperformed all the training methods other than the current state of the art method, which is based on a highly advanced generative model. We also applied our method to SVHN and NORB, and confirmed our method's superior performance over the current state of the art semi-supervised method applied to these datasets.

Kohei Hayashi, Shin-ichi Maeda, Ryohei Fujimaki

Factorized information criterion (FIC) is a recently developed approximation technique for the marginal log-likelihood, which provides an automatic model selection framework for a few latent variable models (LVMs) with tractable inference algorithms. This paper reconsiders FIC and fills theoretical gaps of previous FIC studies. First, we reveal the core idea of FIC that allows generalization for a broader class of LVMs, including continuous LVMs, in contrast to previous FICs, which are applicable only to binary LVMs. Second, we investigate the model selection mechanism of the generalized FIC. Our analysis provides a formal justification of FIC as a model selection criterion for LVMs and also a systematic procedure for pruning redundant latent variables that have been removed heuristically in previous studies. Third, we provide an interpretation of FIC as a variational free energy and uncover a few previously-unknown their relationships. A demonstrative study on Bayesian principal component analysis is provided and numerical experiments support our theoretical results.

Shin-ichi Maeda

Dropout is one of the key techniques to prevent the learning from overfitting. It is explained that dropout works as a kind of modified L2 regularization. Here, we shed light on the dropout from Bayesian standpoint. Bayesian interpretation enables us to optimize the dropout rate, which is beneficial for learning of weight parameters and prediction after learning. The experiment result also encourages the optimization of the dropout.