A self-conformation-aware pre-training framework for molecular property prediction with substructure interpretability.

The major challenges in drug development stem from frequent structure-activity cliffs and unknown drug properties, which are expensive and time-consuming to estimate, contributing to a high rate of failures and substantial unavoidable costs in the clinical phases. Herein, we propose the self-conformation-aware graph transformer (SCAGE), an innovative deep learning architecture pretrained with approximately 5 million drug-like compounds for molecular property prediction. Notably, we develop a multitask pretraining framework, which incorporates four supervised and unsupervised tasks: molecular fingerprint prediction, functional group prediction using chemical prior information, 2D atomic distance prediction, and 3D bond angle prediction, covering aspects from molecular structures to functions.

Multi-modal Disease Prediction with Hierarchical Self-supervised Learning.

The proliferation of healthcare data sources, including diverse imaging modalities and biochemical measurements, has created unprecedented opportunities for comprehensive disease prediction. Multi-modal clinical data, encompassing medical imaging reports, biochemical assays, and longitudinal clinical records, provides a rich foundation for developing sophisticated diagnostic models. Graph Neural Networks (GNNs) have emerged as a leading methodological framework, distinguished by their capacity to model complex inter-patient relationships and capture community structures within patient data.

Fusing multispectral information for retinal layer segmentation.

Extensive research on retinal layer segmentation (RLS) using deep learning (DL) is mostly approaching a performance plateau, primarily due to reliance on structural information alone. To address the present situation, we conduct the first study on the impact of multi-spectral information (MSI) on RLS. Our experimental results show that incorporating MSI significantly improves segmentation accuracy for retinal layer optical coherence tomography (OCT) images.

Three-Dimensional View Relationship-Based Context-Aware Emotion Recognition.

Context-aware emotion recognition (CAER) leverages comprehensive scene information, including facial expressions, body postures, and contextual background. However, current studies predominantly rely on facial expressions, body postures, and global contextual features; the interaction between the agents (target individuals) and other objects in the scene is usually absent or incomplete. In this article, a three-dimensional view relationship-based CAER (TDRCer) method is proposed, which comprises two branches: the personal emotional branch (PEB) and the contextual emotional branch (CEB).

Beyond grassland degradation: Pathways to resilience for pastoralist households in alpine grassland ecosystems.

Sustaining the development of rural and pastoral communities' hinges on livelihood resilience. Pastoralist household resilience relies on resource availability and decision-making abilities. Despite extensive studies on pastoralist livelihoods, a significant knowledge gap remains in understanding the nuanced adaptive capacities of diverse households, particularly amid grassland degradation.

Improving Global Generalization and Local Personalization for Federated Learning.

Federated learning aims to facilitate collaborative training among multiple clients with data heterogeneity in a privacy-preserving manner, which either generates the generalized model or develops personalized models. However, existing methods typically struggle to balance both directions, as optimizing one often leads to failure in another. To address the problem, this article presents a method named personalized federated learning via cross silo prototypical calibration (pFedCSPC) to enhance the consistency of knowledge of clients by calibrating features from heterogeneous spaces, which contributes to enhancing the collaboration effectiveness between clients.

A Comprehensive Review of the Global Epidemiology, Clinical Management, Socio-Economic Impacts, and National Responses to Long COVID with Future Research Directions.

Long COVID, characterized by a persistent symptom spectrum following SARS-CoV-2 infection, poses significant health, social, and economic challenges. This review aims to consolidate knowledge on its epidemiology, clinical features, and underlying mechanisms to guide global responses; We conducted a literature review, analyzing peer-reviewed articles and reports to gather comprehensive data on long COVID's epidemiology, symptomatology, and management approaches; Our analysis revealed a wide array of long COVID symptoms and risk factors, with notable demographic variability. The current understanding of its pathophysiology suggests a multifactorial origin yet remains partially understood.

Hybrid multimodal fusion for graph learning in disease prediction.

Graph neural networks (GNNs) have gained significant attention in disease prediction where the latent embeddings of patients are modeled as nodes and the similarities among patients are represented through edges. The graph structure, which determines how information is aggregated and propagated, plays a crucial role in graph learning. Recent approaches typically create graphs based on patients' latent embeddings, which may not accurately reflect their real-world closeness.

Medicine Package Recommendation via Dual-Level Interaction Aware Heterogeneous Graph.

Medicine package recommendation aims to assist doctors in clinical decision-making by recommending appropriate packages of medicines for patients. Current methods model this task as a multi-label classification or sequence generation problem, focusing on learning relationships between individual medicines and other medical entities. However, these approaches uniformly overlook the interactions between medicine packages and other medical entities, potentially resulting in a lack of completeness in recommended medicine packages.

ResDeepSurv: A Survival Model for Deep Neural Networks Based on Residual Blocks and Self-attention Mechanism.

Survival analysis, as a widely used method for analyzing and predicting the timing of event occurrence, plays a crucial role in the medicine field. Medical professionals utilize survival models to gain insight into the effects of patient covariates on the disease, and the correlation with the effectiveness of different treatment strategies. This knowledge is essential for the development of treatment plans and the enhancement of treatment approaches.

A Survey on Federated Recommendation Systems.

Federated learning has recently been applied to recommendation systems to protect user privacy. In federated learning settings, recommendation systems can train recommendation models by collecting the intermediate parameters instead of the real user data, which greatly enhances user privacy. In addition, federated recommendation systems (FedRSs) can cooperate with other data platforms to improve recommendation performance while meeting the regulation and privacy constraints.

EAPR: explainable and augmented patient representation learning for disease prediction.

Patient representation learning aims to encode meaningful information about the patient's Electronic Health Records (EHR) in the form of a mathematical representation. Recent advances in deep learning have empowered Patient representation learning methods with greater representational power, allowing the learned representations to significantly improve the performance of disease prediction models. However, the inherent shortcomings of deep learning models, such as the need for massive amounts of labeled data and inexplicability, limit the performance of deep learning-based Patient representation learning methods to further improvements.

Differences in background environment and fertilization method mediate plant response to nitrogen fertilization in alpine grasslands on the Qinghai-Tibetan Plateau.

Grassland degradation threatens ecosystem function and livestock production, partly induced by soil nutrient deficiency due to the lack of nutrient return to soils, which is largely ascribed to the intense grazing activities. Therefore, nitrogen (N) fertilization has been widely adopted to restore degraded Qinghai-Tibetan Plateau (QTP) grasslands. Despite numerous field manipulation studies investigating its effects on alpine grasslands, the patterns and thresholds of plant response to N fertilization remain unclear, thus hindering the prediction of its influences on the regional scale.

Micro- and nanoplastics in soil: Linking sources to damage on soil ecosystem services in life cycle assessment.

Soil ecosystems are crucial for providing vital ecosystem services (ES), and are increasingly pressured by the intensification and expansion of human activities, leading to potentially harmful consequences for their related ES provision. Micro- and nanoplastics (MNPs), associated with releases from various human activities, have become prevalent in various soil ecosystems and pose a global threat. Life Cycle Assessment (LCA), a tool for evaluating environmental performance of product and technology life cycles, has yet to adequately include MNPs-related damage to soil ES, owing to factors like uncertainties in MNPs environmental fate and ecotoxicological effects, and characterizing related damage on soil species loss, functional diversity, and ES.

Navigating the landscape of global sustainable livelihood research: past insights and future trajectory.

Sustainable livelihoods (SL) have emerged as a crucial area of focus in global environmental change research, aligning with the Sustainable Development Goals (SDGs). This field is rapidly gaining prominence in sustainability science and has become one of the primary research paradigms. In our study, we conducted scientometrics analysis using the ISI Web of Science core collection database to examine research patterns and frontier areas in SL research.

Multi-Granularity Graph Convolution Network for Major Depressive Disorder Recognition.

Major depressive disorder (MDD) is the most common psychological disease. To improve the recognition accuracy of MDD, more and more machine learning methods have been proposed to mining EEG features, i.e.

MolFPG: Multi-level fingerprint-based Graph Transformer for accurate and robust drug toxicity prediction.

Drug toxicity prediction is essential to drug development, which can help screen compounds with potential toxicity and reduce the cost and risk of animal experiments and clinical trials. However, traditional handcrafted feature-based and molecular-graph-based approaches are insufficient for molecular representation learning. To address the problem, we developed an innovative molecular fingerprint Graph Transformer framework (MolFPG) with a global-aware module for interpretable toxicity prediction.

MVIL6: Accurate identification of IL-6-induced peptides using multi-view feature learning.

Interleukin-6 (IL-6) is a potential therapeutic target for many diseases, and it is of great significance in accurately predicting IL-6-induced peptides for IL-6 research. However, the cost of traditional wet experiments to detect IL-6-induced peptides is huge, and the discovery and design of peptides by computer before the experimental stage have become a promising technology. In this study, we developed a deep learning model called MVIL6 for predicting IL-6-inducing peptides.

Heterogeneous Collaborative Learning for Personalized Healthcare Analytics via Messenger Distillation.

The Healthcare Internet-of-Things (IoT) framework aims to provide personalized medical services with edge devices. Due to the inevitable data sparsity on an individual device, cross-device collaboration is introduced to enhance the power of distributed artificial intelligence. Conventional collaborative learning protocols (e.

SiameseCPP: a sequence-based Siamese network to predict cell-penetrating peptides by contrastive learning.

Background: Cell-penetrating peptides (CPPs) have received considerable attention as a means of transporting pharmacologically active molecules into living cells without damaging the cell membrane, and thus hold great promise as future therapeutics. Recently, several machine learning-based algorithms have been proposed for predicting CPPs. However, most existing predictive methods do not consider the agreement (disagreement) between similar (dissimilar) CPPs and depend heavily on expert knowledge-based handcrafted features.

Exploring the frontiers of sustainable livelihoods research within grassland ecosystem: A scientometric analysis.

Grassland degradation has become a global social-ecological problem, which seriously limits the sustainability of indigenous people's livelihoods. Bibliometrics, a type of analysis based on the Science Citation Index-Expanded (SCI-E), was therefore performed to explore the research trends and focus areas of studies on sustainable livelihoods (SLs). We conducted an in-depth analysis of 489 research publications and their 25,144 references from 1991 to 2020.

A Novel Multi-view Bi-clustering method for identifying abnormal Co-occurrence medical visit behaviors.

Abnormal co-occurrence medical visit behavior is a form of medical insurance fraud. Specifically, an organized gang of fraudsters hold multiple medical insurance cards and purchase similar drugs frequently at the same time and the same location in order to siphon off medical insurance funds. Conventional identification methods to identify such behaviors rely mainly on manual auditing, making it difficult to satisfy the needs of identifying the small number of fraudulent behaviors in the large-scale medical data.

HealthNet: A Health Progression Network via Heterogeneous Medical Information Fusion.

Numerous electronic health records (EHRs) offer valuable opportunities for understanding patients' health status at different stages, namely health progression. Extracting the health progression patterns allows researchers to perform accurate predictive analysis of patient outcomes. However, most existing works on this task suffer from the following two limitations: 1) the diverse dependencies among heterogeneous medical entities are overlooked, which leads to the one-sided modeling of patients' status and 2) the extraction granularity of patient's health progression patterns is coarse, limiting the model's ability to accurately infer the patient's future status.

Characteristics of nitrogen deposition research within grassland ecosystems globally and its insight from grassland microbial community changes in China.

As global change continues to intensify, the mode and rate of nitrogen input from the atmosphere to grassland ecosystems had changed dramatically. Firstly, we conducted a systematic analysis of the literature on the topic of nitrogen deposition impacts over the past 30 years using a bibliometric analysis. A systematic review of the global research status, publication patterns, research hotspots and important literature.

Personalized Federated Few-Shot Learning.

Personalized federated learning (PFL) learns a personalized model for each client in a decentralized manner, where each client owns private data that are not shared and data among clients are non-independent and identically distributed (i.i.d.