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The insufficient supervision limit the performance of the deep supervised models for brain disease diagnosis. It is important to develop a learning framework that can capture more information in limited data and insufficient supervision. To…

神经元与认知 · 定量生物学 2024-10-10 Wenjing Gao , Yuanyuan Yang , Jianrui Wei , Xuntao Yin , Xinhan Di

A major impediment to successful drug development is the complexity, cost, and scale of clinical trials. The detailed internal structure of clinical trial data can make conventional optimization difficult to achieve. Recent advances in…

Nowadays, graph-structured data are increasingly used to model complex systems. Meanwhile, detecting anomalies from graph has become a vital research problem of pressing societal concerns. Anomaly detection is an unsupervised learning task…

机器学习 · 计算机科学 2021-03-29 Xuhong Wang , Baihong Jin , Ying Du , Ping Cui , Yupu Yang

According to the Center of Disease Control (CDC), the Opioid epidemic has claimed more than 72,000 lives in the US in 2017 alone. In spite of various efforts at the local, state and federal level, the impact of the epidemic is becoming…

计算机视觉与模式识别 · 计算机科学 2019-06-24 Sandipan Choudhuri , Kaustav Basu , Kevin Thomas , Arunabha Sen

In the last decade, the United States has lost more than 500,000 people from an overdose involving prescription and illicit opioids making it a national public health emergency (USDHHS, 2017). Medical practitioners require robust and timely…

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

As multimodal large language models (MLLMs) advance, MLLM-based virtual agents have demonstrated remarkable performance. However, existing benchmarks face significant limitations, including uncontrollable task complexity, extensive manual…

计算机视觉与模式识别 · 计算机科学 2025-06-11 Wendong Bu , Yang Wu , Qifan Yu , Minghe Gao , Bingchen Miao , Zhenkui Zhang , Kaihang Pan , Yunfei Li , Mengze Li , Wei Ji , Juncheng Li , Siliang Tang , Yueting Zhuang

Clinicians prescribe antibiotics by looking at the patient's health record with an experienced eye. However, the therapy might be rendered futile if the patient has drug resistance. Determining drug resistance requires time-consuming…

人工智能 · 计算机科学 2023-03-09 Honglin Shu , Pei Gao , Lingwei Zhu , Zheng Chen

Text-to-chart retrieval, enabling users to find relevant charts via natural language queries, has gained significant attention. However, evaluating models in real-world business intelligence (BI) scenarios is challenging, as current…

信息检索 · 计算机科学 2026-03-18 Yifan Wu , Lutao Yan , Yizhang Zhu , Yenchi Tseng , Yinan Mei , Yong Wang , Jiannan Wang , Nan Tang , Yuyu Luo

A wide range of graph learning tasks, such as structure discovery, temporal graph analysis, and combinatorial optimization, focus on inferring graph structures from data, rather than making predictions on given graphs. However, the…

Offline goal-conditioned reinforcement learning (GCRL) is a major problem in reinforcement learning (RL) because it provides a simple, unsupervised, and domain-agnostic way to acquire diverse behaviors and representations from unlabeled…

机器学习 · 计算机科学 2025-02-14 Seohong Park , Kevin Frans , Benjamin Eysenbach , Sergey Levine

In order to advance the state of the art in graph learning algorithms, it is necessary to construct large real-world datasets. While there are many benchmark datasets for homogeneous graphs, only a few of them are available for…

机器学习 · 计算机科学 2022-03-16 Udesh Kumarasinghe , Fatih Deniz , Mohamed Nabeel

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…

机器学习 · 计算机科学 2025-09-10 Katherine Berry , Liang Cheng

Graph classification aims to categorize graphs based on their structural and attribute features, with applications in diverse fields such as social network analysis and bioinformatics. Among the methods proposed to solve this task, those…

机器学习 · 计算机科学 2025-07-23 Lucas Potin , Rosa Figueiredo , Vincent Labatut , Christine Largeron

Adversarial attacks to graph analytics are gaining increased attention. To date, two lines of countermeasures have been proposed to resist various graph adversarial attacks from the perspectives of either graph per se or graph neural…

机器学习 · 计算机科学 2025-05-21 Xinxin Fan , Wenxiong Chen , Mengfan Li , Wenqi Wei , Ling Liu

Graph neural networks (GNNs) are becoming increasingly popular in the medical domain for the tasks of disease classification and outcome prediction. Since patient data is not readily available as a graph, most existing methods either…

计算机视觉与模式识别 · 计算机科学 2023-10-05 Nithya Bhasker , Stefan Leger , Alexander Zwanenburg , Chethan Babu Reddy , Sebastian Bodenstedt , Steffen Löck , Stefanie Speidel

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

机器学习 · 计算机科学 2025-09-30 Yuehua Song , Yong Gao

Recipe recommendation systems play an essential role in helping people decide what to eat. Existing recipe recommendation systems typically focused on content-based or collaborative filtering approaches, ignoring the higher-order…

信息检索 · 计算机科学 2022-05-30 Yijun Tian , Chuxu Zhang , Zhichun Guo , Chao Huang , Ronald Metoyer , Nitesh V. Chawla

Graph Neural Networks (GNNs) have achieved unprecedented success in identifying categorical labels of graphs. However, most existing graph classification problems with GNNs follow the protocol of balanced data splitting, which misaligns…

机器学习 · 计算机科学 2022-09-29 Yu Wang , Yuying Zhao , Neil Shah , Tyler Derr