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For the past 30 years or so, machine learning has stimulated a great deal of research in the study of approximation capabilities (expressive power) of a multitude of processes, such as approximation by shallow or deep neural networks,…

Machine Learning · Computer Science 2025-01-07 Hrushikesh Mhaskar

Multimodal learning combines multiple data modalities, broadening the types and complexity of data our models can utilize: for example, from plain text to image-caption pairs. Most multimodal learning algorithms focus on modeling simple…

Artificial Intelligence · Computer Science 2023-10-13 Minji Yoon , Jing Yu Koh , Bryan Hooi , Ruslan Salakhutdinov

Malware analysis techniques are divided into static and dynamic analysis. Both techniques can be bypassed by circumvention techniques such as obfuscation. In a series of works, the authors have promoted the use of symbolic executions…

Cryptography and Security · Computer Science 2022-04-13 Charles-Henry Bertrand Van Ouytsel , Axel Legay

The theoretical notions of graph classes with bounded expansion and that are nowhere dense are meant to capture structural sparsity of real world networks that can be used to design efficient algorithms. In the area of sparse graphs, the…

Data Structures and Algorithms · Computer Science 2018-11-20 Wojciech Nadara

Dictionary learning algorithms have been successfully used in both reconstructive and discriminative tasks, where the input signal is represented by a linear combination of a few dictionary atoms. While these methods are usually developed…

Machine Learning · Statistics 2015-02-12 Soheil Bahrampour , Nasser M. Nasrabadi , Asok Ray , Kenneth W. Jenkins

Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message…

Machine Learning · Computer Science 2025-11-12 Xiang Chen , Kun Yue , Wenjie Liu , Zhenyu Zhang , Liang Duan

Prediction of molecular properties, including physico-chemical properties, is a challenging task in chemistry. Herein we present a new state-of-the-art multitask prediction method based on existing graph neural network models. We have used…

Machine Learning · Computer Science 2019-10-31 Fabio Capela , Vincent Nouchi , Ruud Van Deursen , Igor V. Tetko , Guillaume Godin

Learning with kernels is an important concept in machine learning. Standard approaches for kernel methods often use predefined kernels that require careful selection of hyperparameters. To mitigate this burden, we propose in this paper a…

Machine Learning · Computer Science 2020-06-26 Yufan Zhou , Changyou Chen , Jinhui Xu

Real-world events exhibit a high degree of interdependence and connections, and hence data points generated also inherit the linkages. However, the majority of AI/ML techniques leave out the linkages among data points. The recent surge of…

Social and Information Networks · Computer Science 2020-06-17 Shrey Dabhi , Manojkumar Parmar

The success of kernel methods has initiated the design of novel positive semidefinite functions, in particular for structured data. A leading design paradigm for this is the convolution kernel, which decomposes structured objects into their…

Machine Learning · Computer Science 2017-02-01 Nils M. Kriege , Pierre-Louis Giscard , Richard C. Wilson

Graphs effectively characterize relational data, driving graph representation learning methods that uncover underlying predictive information. As state-of-the-art approaches, Graph Neural Networks (GNNs) enable end-to-end learning for…

Machine Learning · Computer Science 2025-04-24 Mao Wang , Tao Wu , Xingping Xian , Shaojie Qiao , Weina Niu , Canyixing Cui

The notion of a (polynomial) kernelization from parameterized complexity is a well-studied model for efficient preprocessing for hard computational problems. By now, it is quite well understood which parameterized problems do or…

Data Structures and Algorithms · Computer Science 2025-04-28 Leonid Antipov , Stefan Kratsch

The accuracy and complexity of machine learning algorithms based on kernel optimization are limited by the set of kernels over which they are able to optimize. An ideal set of kernels should: admit a linear parameterization (for…

Machine Learning · Computer Science 2020-06-16 Brendon K. Colbert , Matthew M. Peet

Graph mining tasks arise from many different application domains, ranging from social networks, transportation to E-commerce, etc., which have been receiving great attention from the theoretical and algorithmic design communities in recent…

Machine Learning · Computer Science 2023-01-18 Mingshuo Nie , Dongming Chen , Dongqi Wang

Graph representation learning has now become the de facto standard when handling graph-structured data, with the framework of message-passing graph neural networks (MPNN) being the most prevailing algorithmic tool. Despite its popularity,…

Machine Learning · Computer Science 2023-10-18 Jiawang Dan , Ruofan Wu , Yunpeng Liu , Baokun Wang , Changhua Meng , Tengfei Liu , Tianyi Zhang , Ningtao Wang , Xing Fu , Qi Li , Weiqiang Wang

Using different methods for laying out a graph can lead to very different visual appearances, with which the viewer perceives different information. Selecting a "good" layout method is thus important for visualizing a graph. The selection…

Social and Information Networks · Computer Science 2017-10-13 Oh-Hyun Kwon , Tarik Crnovrsanin , Kwan-Liu Ma

In many applications involving multi-media data, the definition of similarity between items is integral to several key tasks, e.g., nearest-neighbor retrieval, classification, and recommendation. Data in such regimes typically exhibits…

Artificial Intelligence · Computer Science 2010-09-01 Brian McFee , Gert Lanckriet

Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these…

Machine Learning · Computer Science 2020-03-26 Wei Ye , Zhen Wang , Rachel Redberg , Ambuj Singh

Machine learning techniques paired with the availability of massive datasets dramatically enhance our ability to explore the chemical compound space by providing fast and accurate predictions of molecular properties. However, learning on…

Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

Neural and Evolutionary Computing · Computer Science 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini