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Knowledge graphs (KGs) are gaining prominence in Healthcare AI, especially in drug discovery and pharmaceutical research as they provide a structured way to integrate diverse information sources, enhancing AI system interpretability. This interpretability is crucial in healthcare, where trust and transparency matter, and eXplainable AI (XAI) supports decision making for healthcare professionals. This overview summarizes recent literature on the impact of KGs in healthcare and their role in developing explainable AI models. We cover KG workflow, including construction, relationship extraction, reasoning, and their applications in areas like Drug-Drug Interactions (DDI), Drug Target Interactions (DTI), Drug Development (DD), Adverse Drug Reactions (ADR), and bioinformatics. We emphasize the importance of making KGs more interpretable through knowledge-infused learning in healthcare. Finally, we highlight research challenges and provide insights for future directions.

The soft Dice loss (SDL) has taken a pivotal role in numerous automated segmentation pipelines in the medical imaging community. Over the last years, some reasons behind its superior functioning have been uncovered and further optimizations have been explored. However, there is currently no implementation that supports its direct utilization in scenarios involving soft labels. Hence, a synergy between the use of SDL and research leveraging the use of soft labels, also in the context of model calibration, is still missing. In this work, we introduce Dice semimetric losses (DMLs), which (i) are by design identical to SDL in a standard setting with hard labels, but (ii) can be employed in settings with soft labels. Our experiments on the public QUBIQ, LiTS and KiTS benchmarks confirm the potential synergy of DMLs with soft labels (e.g.\ averaging, label smoothing, and knowledge distillation) over hard labels (e.g.\ majority voting and random selection). As a result, we obtain superior Dice scores and model calibration, which supports the wider adoption of DMLs in practice. The code is available at \href{//github.com/zifuwanggg/JDTLosses}{//github.com/zifuwanggg/JDTLosses}.

Single-step retrosynthesis is a crucial task in organic chemistry and drug design, requiring the identification of required reactants to synthesize a specific compound. with the advent of computer-aided synthesis planning, there is growing interest in using machine-learning techniques to facilitate the process. Existing template-free machine learning-based models typically utilize transformer structures and represent molecules as ID sequences. However, these methods often face challenges in fully leveraging the extensive topological information of the molecule and aligning atoms between the production and reactants, leading to results that are not as competitive as those of semi-template models. Our proposed method, Node-Aligned Graph-to-Graph (NAG2G), also serves as a transformer-based template-free model but utilizes 2D molecular graphs and 3D conformation information. Furthermore, our approach simplifies the incorporation of production-reactant atom mapping alignment by leveraging node alignment to determine a specific order for node generation and generating molecular graphs in an auto-regressive manner node-by-node. This method ensures that the node generation order coincides with the node order in the input graph, overcoming the difficulty of determining a specific node generation order in an auto-regressive manner. Our extensive benchmarking results demonstrate that the proposed NAG2G can outperform the previous state-of-the-art baselines in various metrics.

Objective: High-throughput phenotyping will accelerate the use of electronic health records (EHRs) for translational research. A critical roadblock is the extensive medical supervision required for phenotyping algorithm (PA) estimation and evaluation. To address this challenge, numerous weakly-supervised learning methods have been proposed. However, there is a paucity of methods for reliably evaluating the predictive performance of PAs when a very small proportion of the data is labeled. To fill this gap, we introduce a semi-supervised approach (ssROC) for estimation of the receiver operating characteristic (ROC) parameters of PAs (e.g., sensitivity, specificity). Materials and Methods: ssROC uses a small labeled dataset to nonparametrically impute missing labels. The imputations are then used for ROC parameter estimation to yield more precise estimates of PA performance relative to classical supervised ROC analysis (supROC) using only labeled data. We evaluated ssROC with synthetic, semi-synthetic, and EHR data from Mass General Brigham (MGB). Results: ssROC produced ROC parameter estimates with minimal bias and significantly lower variance than supROC in the simulated and semi-synthetic data. For the five PAs from MGB, the estimates from ssROC are 30% to 60% less variable than supROC on average. Discussion: ssROC enables precise evaluation of PA performance without demanding large volumes of labeled data. ssROC is also easily implementable in open-source R software. Conclusion: When used in conjunction with weakly-supervised PAs, ssROC facilitates the reliable and streamlined phenotyping necessary for EHR-based research.

Myocardial infarction (MI) is a severe case of coronary artery disease (CAD) and ultimately, its detection is substantial to prevent progressive damage to the myocardium. In this study, we propose a novel view-fusion model named self-attention fusion network (SAF-Net) to detect MI from multi-view echocardiography recordings. The proposed framework utilizes apical 2-chamber (A2C) and apical 4-chamber (A4C) view echocardiography recordings for classification. Three reference frames are extracted from each recording of both views and deployed pre-trained deep networks to extract highly representative features. The SAF-Net model utilizes a self-attention mechanism to learn dependencies in extracted feature vectors. The proposed model is computationally efficient thanks to its compact architecture having three main parts: a feature embedding to reduce dimensionality, self-attention for view-pooling, and dense layers for the classification. Experimental evaluation is performed using the HMC-QU-TAU dataset which consists of 160 patients with A2C and A4C view echocardiography recordings. The proposed SAF-Net model achieves a high-performance level with 88.26% precision, 77.64% sensitivity, and 78.13% accuracy. The results demonstrate that the SAF-Net model achieves the most accurate MI detection over multi-view echocardiography recordings.

Electroencephalography(EEG) classification is a crucial task in neuroscience, neural engineering, and several commercial applications. Traditional EEG classification models, however, have often overlooked or inadequately leveraged the brain's topological information. Recognizing this shortfall, there has been a burgeoning interest in recent years in harnessing the potential of Graph Neural Networks (GNN) to exploit the topological information by modeling features selected from each EEG channel in a graph structure. To further facilitate research in this direction, we introduce GNN4EEG, a versatile and user-friendly toolkit for GNN-based modeling of EEG signals. GNN4EEG comprises three components: (i)A large benchmark constructed with four EEG classification tasks based on EEG data collected from 123 participants. (ii)Easy-to-use implementations on various state-of-the-art GNN-based EEG classification models, e.g., DGCNN, RGNN, etc. (iii)Implementations of comprehensive experimental settings and evaluation protocols, e.g., data splitting protocols, and cross-validation protocols. GNN4EEG is publicly released at //github.com/Miracle-2001/GNN4EEG.

A multi-layer perceptron (MLP) is a type of neural networks which has a long history of research and has been studied actively recently in computer vision and graphics fields. One of the well-known problems of an MLP is the capability of expressing high-frequency signals from low-dimensional inputs. There are several studies for input encodings to improve the reconstruction quality of an MLP by applying pre-processing against the input data. This paper proposes a novel input encoding method, local positional encoding, which is an extension of positional and grid encodings. Our proposed method combines these two encoding techniques so that a small MLP learns high-frequency signals by using positional encoding with fewer frequencies under the lower resolution of the grid to consider the local position and scale in each grid cell. We demonstrate the effectiveness of our proposed method by applying it to common 2D and 3D regression tasks where it shows higher-quality results compared to positional and grid encodings, and comparable results to hierarchical variants of grid encoding such as multi-resolution grid encoding with equivalent memory footprint.

Outbreaks of hand-foot-and-mouth disease(HFMD) have been associated with significant morbidity and, in severe cases, mortality. Accurate forecasting of daily admissions of pediatric HFMD patients is therefore crucial for aiding the hospital in preparing for potential outbreaks and mitigating nosocomial transmissions. To address this pressing need, we propose a novel transformer-based model with a U-net shape, utilizing the patching strategy and the joint prediction strategy that capitalizes on insights from herpangina, a disease closely correlated with HFMD. This model also integrates representation learning by introducing reconstruction loss as an auxiliary loss. The results show that our U-net Patching Time Series Transformer (UPTST) model outperforms existing approaches in both long- and short-arm prediction accuracy of HFMD at hospital-level. Furthermore, the exploratory extension experiments show that the model's capabilities extend beyond prediction of infectious disease, suggesting broader applicability in various domains.

Video anomaly detection is a complex task, and the principle of "divide and conquer" is often regarded as an effective approach to tackling intricate issues. It's noteworthy that recent methods in video anomaly detection have revealed the application of the divide and conquer philosophy (albeit with distinct perspectives from traditional usage), yielding impressive outcomes. This paper systematically reviews these literatures from six dimensions, aiming to enhance the use of the divide and conquer strategy in video anomaly detection. Furthermore, based on the insights gained from this review, a novel approach is presented, which integrates human skeletal frameworks with video data analysis techniques. This method achieves state-of-the-art performance on the ShanghaiTech dataset, surpassing all existing advanced methods.

We propose a novel attention gate (AG) model for medical imaging that automatically learns to focus on target structures of varying shapes and sizes. Models trained with AGs implicitly learn to suppress irrelevant regions in an input image while highlighting salient features useful for a specific task. This enables us to eliminate the necessity of using explicit external tissue/organ localisation modules of cascaded convolutional neural networks (CNNs). AGs can be easily integrated into standard CNN architectures such as the U-Net model with minimal computational overhead while increasing the model sensitivity and prediction accuracy. The proposed Attention U-Net architecture is evaluated on two large CT abdominal datasets for multi-class image segmentation. Experimental results show that AGs consistently improve the prediction performance of U-Net across different datasets and training sizes while preserving computational efficiency. The code for the proposed architecture is publicly available.