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The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery. The existing deep neural network methods usually require large training dataset for each…

Machine Learning · Computer Science 2021-02-17 Zhichun Guo , Chuxu Zhang , Wenhao Yu , John Herr , Olaf Wiest , Meng Jiang , Nitesh V. Chawla

Virtual sensing techniques allow for inferring signals at new unmonitored locations by exploiting spatio-temporal measurements coming from physical sensors at different locations. However, as the sensor coverage becomes sparse due to costs…

Machine Learning · Computer Science 2024-02-21 Giovanni De Felice , Andrea Cini , Daniele Zambon , Vladimir V. Gusev , Cesare Alippi

Message-passing graph neural networks (GNNs) excel at capturing local relationships but struggle with long-range dependencies in graphs. In contrast, graph transformers (GTs) enable global information exchange but often oversimplify the…

Machine Learning · Computer Science 2024-10-08 Dexiong Chen , Till Hendrik Schulz , Karsten Borgwardt

We propose a simple algorithm that needs only a few data samples from a single graph for learning local routing policies that generalize across a rich class of geometric random graphs in Euclidean metric spaces. We thus solve the all-pairs…

Machine Learning · Computer Science 2025-09-09 Yung-Fu Chen , Sen Lin , Anish Arora

Few-shot Named Entity Recognition (NER) is a task aiming to identify named entities via limited annotated samples. Recently, prototypical networks have shown promising performance in few-shot NER. Most of prototypical networks will utilize…

Computation and Language · Computer Science 2023-05-23 Mozhi Zhang , Hang Yan , Yaqian Zhou , Xipeng Qiu

Modeling of relation pattern is the core focus of previous Knowledge Graph Embedding works, which represents how one entity is related to another semantically by some explicit relation. However, there is a more natural and intuitive…

Computation and Language · Computer Science 2021-10-05 Ren Li , Yanan Cao , Qiannan Zhu , Xiaoxue Li , Fang Fang

Knowledge graph embedding (KGE) models perform well on link prediction but struggle with unseen entities, relations, and especially literals, limiting their use in dynamic, heterogeneous graphs. In contrast, pretrained large language models…

Computation and Language · Computer Science 2026-04-15 Alkid Baci , Luke Friedrichs , Caglar Demir , N'Dah Jean Kouagou , Axel-Cyrille Ngonga Ngomo

In this paper, we propose a novel inference method for dynamic genetic networks which makes it possible to face with a number of time measurements n much smaller than the number of genes p. The approach is based on the concept of low order…

Statistics Theory · Mathematics 2009-05-29 Sophie Lèbre

Typically, Few-shot Continual Relation Extraction (FCRE) models must balance retaining prior knowledge while adapting to new tasks with extremely limited data. However, real-world scenarios may also involve unseen or undetermined relations…

Machine Learning · Computer Science 2025-02-26 Thiem Nguyen , Anh Nguyen , Quyen Tran , Tu Vu , Diep Nguyen , Linh Ngo , Thien Nguyen

Knowledge graphs (KGs) consist of links that describe relationships between entities. Due to the difficulty of manually enumerating all relationships between entities, automatically completing them is essential for KGs. Knowledge Graph…

Computation and Language · Computer Science 2024-06-07 Yusuke Sakai , Hidetaka Kamigaito , Katsuhiko Hayashi , Taro Watanabe

Large language models (LLMs) have achieved remarkable performance in generating human-like text and solving reasoning tasks of moderate complexity, such as question-answering and mathematical problem-solving. However, their capabilities in…

Computation and Language · Computer Science 2025-02-21 Cole Gawin , Yidan Sun , Mayank Kejriwal

Graph neural networks (GNNs) have emerged as a powerful paradigm for embedding-based entity alignment due to their capability of identifying isomorphic subgraphs. However, in real knowledge graphs (KGs), the counterpart entities usually…

Computation and Language · Computer Science 2019-11-21 Zequn Sun , Chengming Wang , Wei Hu , Muhao Chen , Jian Dai , Wei Zhang , Yuzhong Qu

Graph neural networks (GNNs) can learn effective node representations that significantly improve link prediction accuracy. However, most GNN-based link prediction algorithms are incompetent to predict weak ties connecting different…

Social and Information Networks · Computer Science 2024-10-22 Weiwei Gu , Linbi Lv , Gang Lu , Ruiqi Li

Learning from a few examples is an important practical aspect of training classifiers. Various works have examined this aspect quite well. However, all existing approaches assume that the few examples provided are always correctly labeled.…

Computer Vision and Pattern Recognition · Computer Science 2020-11-24 Pratik Mazumder , Pravendra Singh , Vinay P. Namboodiri

Recently, few-shot molecular property prediction (FSMPP) has garnered increasing attention. Despite impressive breakthroughs achieved by existing methods, they often overlook the inherent many-to-many relationships between molecules and…

Quantitative Methods · Quantitative Biology 2024-05-27 Zeyu Wang , Tianyi Jiang , Yao Lu , Xiaoze Bao , Shanqing Yu , Bin Wei , Qi Xuan

In this paper, we have explored the effects of different minibatch sampling techniques in Knowledge Graph Completion. Knowledge Graph Completion (KGC) or Link Prediction is the task of predicting missing facts in a knowledge graph. KGC…

Social and Information Networks · Computer Science 2020-04-14 Bishal Santra , Prakhar Sharma , Sumegh Roychowdhury , Pawan Goyal

Knowledge graphs offer a structured representation of real-world entities and their relationships, enabling a wide range of applications from information retrieval to automated reasoning. In this paper, we conduct a systematic comparison…

Machine Learning · Computer Science 2025-07-31 Thanh Hoang-Minh

Out-Of-Distribution (OOD) generalization has gained increasing attentions for machine learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation under distribution shifts. Existing graph OOD methods tend to…

Machine Learning · Computer Science 2025-05-12 Henan Sun , Xunkai Li , Lei Zhu , Junyi Han , Guang Zeng , Ronghua Li , Guoren Wang

We study the problem of learning the causal relationships between a set of observed variables in the presence of latents, while minimizing the cost of interventions on the observed variables. We assume access to an undirected graph $G$ on…

Data Structures and Algorithms · Computer Science 2020-12-29 Raghavendra Addanki , Andrew McGregor , Cameron Musco

Link prediction is a widely studied task in Graph Representation Learning (GRL) for modeling relational data. The early theories in GRL were based on the assumption of a symmetric adjacency matrix, reflecting an undirected setting. As a…

Machine Learning · Computer Science 2025-02-24 Jun Zhai , Muberra Ozmen , Thomas Markovich