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We present a novel multimodal interpretable VQA model that can answer the question more accurately and generate diverse explanations. Although researchers have proposed several methods that can generate human-readable and fine-grained natural language sentences to explain a model's decision, these methods have focused solely on the information in the image. Ideally, the model should refer to various information inside and outside the image to correctly generate explanations, just as we use background knowledge daily. The proposed method incorporates information from outside knowledge and multiple image captions to increase the diversity of information available to the model. The contribution of this paper is to construct an interpretable visual question answering model using multimodal inputs to improve the rationality of generated results. Experimental results show that our model can outperform state-of-the-art methods regarding answer accuracy and explanation rationality., Comment: Under review

Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the internet. The phonopy and phono3py codes are widely used open source phonon calculation codes. This review describes a collection of computational methods and techniques as implemented in these codes and shows their implementation strategies as a whole, aiming to be useful for the community. Some of the techniques presented here are not limited to phonon calculations and may therefore be useful in other area of condensed matter physics.

Problem: Detecting COVID-19 from chest X-Ray (CXR) images has become one of the fastest and easiest methods for detecting COVID-19. However, the existing methods usually use supervised transfer learning from natural images as a pretraining process. These methods do not consider the unique features of COVID-19 and the similar features between COVID-19 and other pneumonia. Aim: In this paper, we want to design a novel high-accuracy COVID-19 detection method that uses CXR images, which can consider the unique features of COVID-19 and the similar features between COVID-19 and other pneumonia. Methods: Our method consists of two phases. One is self-supervised learning-based pertaining; the other is batch knowledge ensembling-based fine-tuning. Self-supervised learning-based pretraining can learn distinguished representations from CXR images without manually annotated labels. On the other hand, batch knowledge ensembling-based fine-tuning can utilize category knowledge of images in a batch according to their visual feature similarities to improve detection performance. Unlike our previous implementation, we introduce batch knowledge ensembling into the fine-tuning phase, reducing the memory used in self-supervised learning and improving COVID-19 detection accuracy. Results: On two public COVID-19 CXR datasets, namely, a large dataset and an unbalanced dataset, our method exhibited promising COVID-19 detection performance. Our method maintains high detection accuracy even when annotated CXR training images are reduced significantly (e.g., using only 10% of the original dataset). In addition, our method is insensitive to changes in hyperparameters., Comment: Published as a journal paper at Elsevier CIBM

Purpose: Considering several patients screened due to COVID-19 pandemic, computer-aided detection has strong potential in assisting clinical workflow efficiency and reducing the incidence of infections among radiologists and healthcare providers. Since many confirmed COVID-19 cases present radiological findings of pneumonia, radiologic examinations can be useful for fast detection. Therefore, chest radiography can be used to fast screen COVID-19 during the patient triage, thereby determining the priority of patient's care to help saturated medical facilities in a pandemic situation. Methods: In this paper, we propose a new learning scheme called self-supervised transfer learning for detecting COVID-19 from chest X-ray (CXR) images. We compared six self-supervised learning (SSL) methods (Cross, BYOL, SimSiam, SimCLR, PIRL-jigsaw, and PIRL-rotation) with the proposed method. Additionally, we compared six pretrained DCNNs (ResNet18, ResNet50, ResNet101, CheXNet, DenseNet201, and InceptionV3) with the proposed method. We provide quantitative evaluation on the largest open COVID-19 CXR dataset and qualitative results for visual inspection. Results: Our method achieved a harmonic mean (HM) score of 0.985, AUC of 0.999, and four-class accuracy of 0.953. We also used the visualization technique Grad-CAM++ to generate visual explanations of different classes of CXR images with the proposed method to increase the interpretability. Conclusions: Our method shows that the knowledge learned from natural images using transfer learning is beneficial for SSL of the CXR images and boosts the performance of representation learning for COVID-19 detection. Our method promises to reduce the incidence of infections among radiologists and healthcare providers., Comment: Published as a journal paper at Springer IJCARS

This paper solves a generalized version of the problem of multi-source model adaptation for semantic segmentation. Model adaptation is proposed as a new domain adaptation problem which requires access to a pre-trained model instead of data for the source domain. A general multi-source setting of model adaptation assumes strictly that each source domain shares a common label space with the target domain. As a relaxation, we allow the label space of each source domain to be a subset of that of the target domain and require the union of the source-domain label spaces to be equal to the target-domain label space. For the new setting named union-set multi-source model adaptation, we propose a method with a novel learning strategy named model-invariant feature learning, which takes full advantage of the diverse characteristics of the source-domain models, thereby improving the generalization in the target domain. We conduct extensive experiments in various adaptation settings to show the superiority of our method. The code is available at https://github.com/lzy7976/union-set-model-adaptation., Comment: Accepted by ECCV2022

A crystal symmetry search is crucial for computational crystallography and materials science. Although algorithms and implementations for the crystal symmetry search have been developed, their extension to magnetic space groups (MSGs) remains limited. In this paper, algorithms for determining magnetic symmetry operations of magnetic crystal structures, identifying magnetic space-group types of given MSGs, searching for transformations to a BNS setting, and symmetrizing the magnetic crystal structures using the MSGs are presented. The determination of magnetic symmetry operations is numerically stable and is implemented with minimal modifications from the existing crystal symmetry search. Magnetic space-group types and transformations to the BNS setting are identified by a two-step approach combining space-group type identification and the use of affine normalizers. Point coordinates and magnetic moments of the magnetic crystal structures are symmetrized by projection operators for the MSGs. An implementation is distributed with a permissive free software license in spglib v2.0.2: https://github.com/spglib/spglib.

In this study, we propose a novel method called region-guided masked image modeling (RGMIM) for learning meaningful representations from X-ray images. Our method adopts a new masking strategy that utilizes organ mask information to identify valid regions for learning more meaningful representations. We conduct quantitative evaluations on an open lung X-ray image dataset as well as masking ratio hyperparameter studies. When using the entire training set, RGMIM outperformed other comparable methods, achieving a 0.962 lung disease detection accuracy. Specifically, RGMIM significantly improved performance in small data volumes, such as 5% and 10% of the training set compared to other methods. RGMIM can mask more valid regions, facilitating the learning of discriminative representations and the subsequent high-accuracy lung disease detection. RGMIM outperforms other state-of-the-art self-supervised learning methods in experiments, particularly when limited training data is used., Comment: Accepted by ECCV 2024 Workshop on Human-inspired Computer Vision

Background and objective: Sharing of medical data is required to enable the cross-agency flow of healthcare information and construct high-accuracy computer-aided diagnosis systems. However, the large sizes of medical datasets, the massive amount of memory of saved deep convolutional neural network (DCNN) models, and patients' privacy protection are problems that can lead to inefficient medical data sharing. Therefore, this study proposes a novel soft-label dataset distillation method for medical data sharing. Methods: The proposed method distills valid information of medical image data and generates several compressed images with different data distributions for anonymous medical data sharing. Furthermore, our method can extract essential weights of DCNN models to reduce the memory required to save trained models for efficient medical data sharing. Results: The proposed method can compress tens of thousands of images into several soft-label images and reduce the size of a trained model to a few hundredths of its original size. The compressed images obtained after distillation have been visually anonymized; therefore, they do not contain the private information of the patients. Furthermore, we can realize high-detection performance with a small number of compressed images. Conclusions: The experimental results show that the proposed method can improve the efficiency and security of medical data sharing., Comment: Published as a journal paper at Elsevier CMPB

In this study, we propose a novel dataset distillation method based on parameter pruning. The proposed method can synthesize more robust distilled datasets and improve distillation performance by pruning difficult-to-match parameters during the distillation process. Experimental results on two benchmark datasets show the superiority of the proposed method., Comment: Published as a journal paper at IEICE Trans. Fund

Sharing medical datasets between hospitals is challenging because of the privacy-protection problem and the massive cost of transmitting and storing many high-resolution medical images. However, dataset distillation can synthesize a small dataset such that models trained on it achieve comparable performance with the original large dataset, which shows potential for solving the existing medical sharing problems. Hence, this paper proposes a novel dataset distillation-based method for medical dataset sharing. Experimental results on a COVID-19 chest X-ray image dataset show that our method can achieve high detection performance even using scarce anonymized chest X-ray images., Comment: Accepted by AAAI-23 Workshop on Representation Learning for Responsible Human-Centric AI

Dataset complexity assessment aims to predict classification performance on a dataset with complexity calculation before training a classifier, which can also be used for classifier selection and dataset reduction. The training process of deep convolutional neural networks (DCNNs) is iterative and time-consuming because of hyperparameter uncertainty and the domain shift introduced by different datasets. Hence, it is meaningful to predict classification performance by assessing the complexity of datasets effectively before training DCNN models. This paper proposes a novel method called cumulative maximum scaled Area Under Laplacian Spectrum (cmsAULS), which can achieve state-of-the-art complexity assessment performance on six datasets., Comment: Published as a journal paper at Springer MTAP

Variational Autoencoder (VAE)-based generative models offer flexible representation learning by incorporating meta-priors, general premises considered beneficial for downstream tasks. However, the incorporated meta-priors often involve ad-hoc model deviations from the original likelihood architecture, causing undesirable changes in their training. In this paper, we propose a novel representation learning method, Gromov-Wasserstein Autoencoders (GWAE), which directly matches the latent and data distributions using the variational autoencoding scheme. Instead of likelihood-based objectives, GWAE models minimize the Gromov-Wasserstein (GW) metric between the trainable prior and given data distributions. The GW metric measures the distance structure-oriented discrepancy between distributions even with different dimensionalities, which provides a direct measure between the latent and data spaces. By restricting the prior family, we can introduce meta-priors into the latent space without changing their objective. The empirical comparisons with VAE-based models show that GWAE models work in two prominent meta-priors, disentanglement and clustering, with their GW objective unchanged., Comment: 38 pages, 9 tables, 13 figures; accepted at ICLR2023

This paper proposes a novel self-supervised learning method for learning better representations with small batch sizes. Many self-supervised learning methods based on certain forms of the siamese network have emerged and received significant attention. However, these methods need to use large batch sizes to learn good representations and require heavy computational resources. We present a new triplet network combined with a triple-view loss to improve the performance of self-supervised representation learning with small batch sizes. Experimental results show that our method can drastically outperform state-of-the-art self-supervised learning methods on several datasets in small-batch cases. Our method provides a feasible solution for self-supervised learning with real-world high-resolution images that uses small batch sizes., Comment: Published as a conference paper at ICASSP 2022

The global outbreak of the Coronavirus 2019 (COVID-19) has overloaded worldwide healthcare systems. Computer-aided diagnosis for COVID-19 fast detection and patient triage is becoming critical. This paper proposes a novel self-knowledge distillation based self-supervised learning method for COVID-19 detection from chest X-ray images. Our method can use self-knowledge of images based on similarities of their visual features for self-supervised learning. Experimental results show that our method achieved an HM score of 0.988, an AUC of 0.999, and an accuracy of 0.957 on the largest open COVID-19 chest X-ray dataset., Comment: Published as a conference paper at ICASSP 2022

We evaluate the zero-point renormalization (ZPR) due to electron-phonon interactions of 28 solids using the projector-augmented-wave (PAW) method. The calculations cover diamond, many zincblende semiconductors, rock-salt and wurtzite oxides, as well as silicate and titania. Particular care is taken to include long-range electrostatic interactions via a generalized Fr\"ohlich model, as discussed in Phys. Rev. Lett. 115, 176401 (2015) and Phys. Rev. B 92, 054307 (2015). The data are compared to recent calculations, npj Computational Materials 6, 167 (2020), and generally very good agreement is found. We discuss in detail the evaluation of the electron-phonon matrix elements within the PAW method. We show that two distinct versions can be obtained depending on when the atomic derivatives are taken. If the PAW transformation is applied before taking derivatives with respect to the ionic positions, equations similar to the ones conventionally used in pseudopotential codes are obtained. If the PAW transformation is used after taking the derivatives, the full-potential spirit is largely maintained. We show that both variants yield very similar ZPRs for selected materials when the rigid-ion approximation is employed. In practice, we find however that the pseudo version converges more rapidly with respect to the number of included unoccupied states., Comment: Added pseudopotential information; revised Sec. II B to avoid possible misconceptions; revised discussion in Sec. III A; added diamond calculation with harder pseudopotential; corrected ZPR comparisons for AlSb and GaP due to inconsistent band-gap transitions; conclusion unchanged