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Network science provides valuable insights across numerous disciplines including sociology, biology, neuroscience and engineering. A task of major practical importance in these application domains is inferring the network structure from…

机器学习 · 计算机科学 2019-05-01 Vassilis N. Ioannidis , Yanning Shen , Georgios B. Giannakis

Accurate prediction of molecular properties in complex chemical systems is crucial for accelerating material discovery and chemical innovation. However, current computational methods often struggle to capture the intricate compositional…

化学物理 · 物理学 2025-09-24 Jinming Fan , Chao Qian , Shaodong Zhou

Humans effortlessly identify objects by leveraging a rich understanding of the surrounding scene, including spatial relationships, material properties, and the co-occurrence of other objects. In contrast, most computational object…

计算机视觉与模式识别 · 计算机科学 2025-12-30 Ciprian Constantinescu , Marius Leordeanu

In this note we explore a fully unsupervised deep-learning framework for simulating non-linear structural equation models from observational training data. The main contribution of this note is an architecture for applying moment-matching…

机器学习 · 统计学 2020-07-28 Michael Park

Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…

机器学习 · 计算机科学 2024-09-16 Xiaohua Lu , Liangxu Xie , Lei Xu , Rongzhi Mao , Shan Chang , Xiaojun Xu

Leveraging deep learning for causal discovery in time series remains challenging because existing neural methods predominantly rely on component-wise architectures that fail to capture shared system dynamics or employ decoupled post-hoc…

机器学习 · 计算机科学 2026-05-11 Omar Muhammad , Pasupuleti Dhruv Shivkant , Deepak N. Subramani

Multimodal data empowers machine learning models to better understand the world from various perspectives. In this work, we study the combination of \emph{text and graph} modalities, a challenging but understudied combination which is…

社会与信息网络 · 计算机科学 2023-07-24 Yuexin Li , Bryan Hooi

The graph neural network (GNN) has been a powerful deep-learning tool in chemistry domain, due to its close connection with molecular graphs. Most GNN models collect and update atom and molecule features from the fed atom (and, in some…

化学物理 · 物理学 2022-03-18 Yeji Kim , Yoonho Jeong , Jihoo Kim , Eok Kyun Lee , Won June Kim , Insung S. Choi

Graph-based Multiple Instance Learning (MIL) is widely used in survival analysis with Hematoxylin and Eosin (H\&E)-stained whole slide images (WSIs) due to its ability to capture topological information. However, variations in staining and…

计算机视觉与模式识别 · 计算机科学 2025-09-25 Min Cen , Zhenfeng Zhuang , Yuzhe Zhang , Min Zeng , Baptiste Magnier , Lequan Yu , Hong Zhang , Liansheng Wang

Crystal graph neural networks are widely applicable in modeling experimentally synthesized compounds and hypothetical materials with unknown synthesizability. In contrast, structure-agnostic predictive algorithms allow exploring previously…

材料科学 · 物理学 2025-11-06 Ivan Rubtsov , Ivan Dudakov , Yuri Kuratov , Vadim Korolev

Identification theory for causal effects in causal models associated with hidden variable directed acyclic graphs (DAGs) is well studied. However, the corresponding algorithms are underused due to the complexity of estimating the…

机器学习 · 统计学 2022-10-17 Rohit Bhattacharya , Razieh Nabi , Ilya Shpitser

Causal discovery is a fundamental problem with applications spanning various areas in science and engineering. It is well understood that solely using observational data, one can only orient the causal graph up to its Markov equivalence…

机器学习 · 计算机科学 2024-10-29 Zihan Zhou , Muhammad Qasim Elahi , Murat Kocaoglu

The ability to reason over learned knowledge is an innate ability for humans and humans can easily master new reasoning rules with only a few demonstrations. While most existing studies on knowledge graph (KG) reasoning assume enough…

计算与语言 · 计算机科学 2019-08-15 Hong Wang , Wenhan Xiong , Mo Yu , Xiaoxiao Guo , Shiyu Chang , William Yang Wang

Recent weakly supervised semantic segmentation (WSSS) methods strive to incorporate contextual knowledge to improve the completeness of class activation maps (CAM). In this work, we argue that the knowledge bias between instances and…

计算机视觉与模式识别 · 计算机科学 2024-03-13 Feilong Tang , Zhongxing Xu , Zhaojun Qu , Wei Feng , Xingjian Jiang , Zongyuan Ge

Learning causal structure from sampled data is a fundamental problem with applications in various fields, including healthcare, machine learning and artificial intelligence. Traditional methods predominantly rely on observational data, but…

机器学习 · 计算机科学 2024-08-12 Qiu Chengbo , Yang Kai

Context matters! Nevertheless, there has not been much research in exploiting contextual information in deep neural networks. For most part, the entire usage of contextual information has been limited to recurrent neural networks. Attention…

计算机视觉与模式识别 · 计算机科学 2020-06-30 Ismail Elezi

Model-agnostic meta-learning (MAML) is a well-known optimization-based meta-learning algorithm that works well in various computer vision tasks, e.g., few-shot classification. MAML is to learn an initialization so that a model can adapt to…

计算机视觉与模式识别 · 计算机科学 2021-10-22 Sanghyuk Lee , Seunghyun Lee , Byung Cheol Song

Visual dialog is a challenging task that requires the comprehension of the semantic dependencies among implicit visual and textual contexts. This task can refer to the relation inference in a graphical model with sparse contexts and unknown…

计算机视觉与模式识别 · 计算机科学 2020-04-07 Dan Guo , Hui Wang , Hanwang Zhang , Zheng-Jun Zha , Meng Wang

Causal discovery, the problem of inferring the direction of causality, is generally ill-posed. We use the language of structural causal models (SCM) to show that assuming that the causal relations are acyclic and invariant across multiple…

机器学习 · 统计学 2026-05-14 Francesco Montagna , Francesco Locatello

Few-shot image classification remains a critical challenge in the field of computer vision, particularly in data-scarce environments. Existing methods typically rely on pre-trained visual-language models, such as CLIP. However, due to the…

计算机视觉与模式识别 · 计算机科学 2026-02-17 Xi Yang , Pai Peng , Wulin Xie , Xiaohuan Lu , Jie Wen