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Designing molecular structures with desired chemical properties is an essential task in drug discovery and material design. However, finding molecules with the optimized desired properties is still a challenging task due to combinatorial…

Biomolecules · Quantitative Biology 2023-02-02 Masatsugu Yamada , Mahito Sugiyama

There has been an increased interest in applying machine learning techniques on relational structured-data based on an observed graph. Often, this graph is not fully representative of the true relationship amongst nodes. In these settings,…

Machine Learning · Statistics 2022-08-05 Florence Regol , Soumyasundar Pal , Jianing Sun , Yingxue Zhang , Yanhui Geng , Mark Coates

We consider the problem of graph generation guided by network statistics, i.e., the generation of graphs which have given values of various numerical measures that characterize networks, such as the clustering coefficient and the number of…

Social and Information Networks · Computer Science 2023-03-02 Jérôme Kunegis , Jun Sun , Eiko Yoneki

Prompt learning for vision-language models, e.g., CoOp, has shown great success in adapting CLIP to different downstream tasks, making it a promising solution for federated learning due to computational reasons. Existing prompt learning…

Computer Vision and Pattern Recognition · Computer Science 2023-10-11 Chen Qiu , Xingyu Li , Chaithanya Kumar Mummadi , Madan Ravi Ganesh , Zhenzhen Li , Lu Peng , Wan-Yi Lin

Graph structured data provide two-fold information: graph structures and node attributes. Numerous graph-based algorithms rely on both information to achieve success in supervised tasks, such as node classification and link prediction.…

Machine Learning · Statistics 2019-07-24 Xu Chen , Siheng Chen , Huangjie Zheng , Jiangchao Yao , Kenan Cui , Ya Zhang , Ivor W. Tsang

Real-world data is often times associated with irregular structures that can analytically be represented as graphs. Having access to this graph, which is sometimes trivially evident from domain knowledge, provides a better representation of…

Signal Processing · Electrical Eng. & Systems 2020-06-16 Muhammad Asad Lodhi , Waheed U. Bajwa

Graphs are ubiquitous for modeling complex relationships between objects across various fields. Graph neural networks (GNNs) have become a mainstream technique for graph-based applications, but their performance heavily relies on abundant…

Machine Learning · Computer Science 2025-02-27 Xingtong Yu , Jie Zhang , Yuan Fang , Renhe Jiang

In this paper we present a technique for procedurally generating 3D maps using a set of premade meshes which snap together based on designer-specified visual constraints. The proposed approach avoids size and layout limitations, offering…

Artificial Intelligence · Computer Science 2022-05-03 Rafael C. e Silva , Nuno Fachada , Diogo de Andrade , Nélio Códices

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that diffusion can also be defined on graphs, including graph…

Machine Learning · Computer Science 2023-02-09 Alex M. Tseng , Nathaniel Diamant , Tommaso Biancalani , Gabriele Scalia

In the past decades, many graph drawing techniques have been proposed for generating aesthetically pleasing graph layouts. However, it remains a challenging task since different layout methods tend to highlight different characteristics of…

Machine Learning · Computer Science 2021-06-30 Xiaoqi Wang , Kevin Yen , Yifan Hu , Han-Wei Shen

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Graph In-Context Learning, with the ability to adapt pre-trained graph models to novel and diverse downstream graphs without updating any parameters, has gained much attention in the community. The key to graph in-context learning is to…

Machine Learning · Computer Science 2025-05-06 Rui Lv , Zaixi Zhang , Kai Zhang , Qi Liu , Weibo Gao , Jiawei Liu , Jiaxia Yan , Linan Yue , Fangzhou Yao

In the broader machine learning literature, data-generation methods demonstrate promising results by generating additional informative training examples via augmenting sparse labels. Such methods are less studied in graphs due to the…

Social and Information Networks · Computer Science 2024-09-13 Hang Cui , Tarek Abdelzaher

Heterogeneous graphs are present in various domains, such as social networks, recommendation systems, and biological networks. Unlike homogeneous graphs, heterogeneous graphs consist of multiple types of nodes and edges, each representing…

Social and Information Networks · Computer Science 2024-10-17 Hritaban Ghosh , Chen Changyu , Arunesh Sinha , Shamik Sural

Uniform sampling from graphical realizations of a given degree sequence is a fundamental component in simulation-based measurements of network observables, with applications ranging from epidemics, through social networks to Internet…

Physics and Society · Physics 2010-04-14 Charo I. Del Genio , Hyunju Kim , Zoltan Toroczkai , Kevin E. Bassler

We initiate the study of deterministic distributed graph algorithms with predictions in synchronous message passing systems. The process at each node in the graph is given a prediction, which is some extra information about the problem…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-01 Joan Boyar , Faith Ellen , Kim S. Larsen

Metal forging is used to manufacture dies. We require the best set of input parameters for the process to be efficient. Currently, we predict the best parameters using the finite element method by generating simulations for the different…

Machine Learning · Computer Science 2023-10-24 Shwetha Salimath , Francesca Bugiotti , Frederic Magoules

With the unprecedented proliferation of machine learning software, there is an ever-increasing need to generate efficient code for such applications. State-of-the-art deep-learning compilers like TVM and Halide incorporate a learning-based…

Machine Learning · Computer Science 2021-08-31 Shikhar Singh , Benoit Steiner , James Hegarty , Hugh Leather

Prompt learning is an effective paradigm that bridges gaps between the pre-training tasks and the corresponding downstream applications. Approaches based on this paradigm have achieved great transcendent results in various applications.…

Information Retrieval · Computer Science 2022-09-26 Zhigang Kan , Linhui Feng , Zhangyue Yin , Linbo Qiao , Xipeng Qiu , Dongsheng Li

Learning to generate graphs is challenging as a graph is a set of pairwise connected, unordered nodes encoding complex combinatorial structures. Recently, several works have proposed graph generative models based on normalizing flows or…

Machine Learning · Computer Science 2023-06-21 Xiaohui Chen , Yukun Li , Aonan Zhang , Li-Ping Liu
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