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With the consolidation of deep learning in drug discovery, several novel algorithms for learning molecular representations have been proposed. Despite the interest of the community in developing new methods for learning molecular embeddings…

Biomolecules · Quantitative Biology 2022-05-09 María Virginia Sabando , Ignacio Ponzoni , Evangelos E. Milios , Axel J. Soto

Kernel methods are one of the mainstays of machine learning, but the problem of kernel learning remains challenging, with only a few heuristics and very little theory. This is of particular importance in methods based on estimation of…

Machine Learning · Statistics 2016-06-03 Seth Flaxman , Dino Sejdinovic , John P. Cunningham , Sarah Filippi

Effective representation of data is crucial in various machine learning tasks, as it captures the underlying structure and context of the data. Embeddings have emerged as a powerful technique for data representation, but evaluating their…

Machine Learning · Computer Science 2023-09-21 Sarwan Ali

Structural equation models (SEMs) have been widely adopted for inference of causal interactions in complex networks. Recent examples include unveiling topologies of hidden causal networks over which processes such as spreading diseases, or…

Machine Learning · Statistics 2017-04-05 Yanning Shen , Brian Baingana , Georgios B. Giannakis

Multiple kernel learning algorithms are proposed to combine kernels in order to obtain a better similarity measure or to integrate feature representations coming from different data sources. Most of the previous research on such methods is…

Machine Learning · Computer Science 2012-07-03 Mehmet Gonen

Kernel matrices are crucial in many learning tasks such as support vector machines or kernel ridge regression. The kernel matrix is typically dense and large-scale. Depending on the dimension of the feature space even the computation of all…

Machine Learning · Computer Science 2023-12-04 Franziska Nestler , Martin Stoll , Theresa Wagner

Much recent work in bioinformatics has focused on the inference of various types of biological networks, representing gene regulation, metabolic processes, protein-protein interactions, etc. A common setting involves inferring network edges…

Quantitative Methods · Quantitative Biology 2007-05-23 Jean-Philippe Vert , Jian Qiu , William Stafford Noble

The kernel $k$-means is an effective method for data clustering which extends the commonly-used $k$-means algorithm to work on a similarity matrix over complex data structures. The kernel $k$-means algorithm is however computationally very…

Machine Learning · Computer Science 2014-01-30 Ahmed Elgohary , Ahmed K. Farahat , Mohamed S. Kamel , Fakhri Karray

Key properties of brain-inspired hyperdimensional (HD) computing make it a prime candidate for energy-efficient and fast learning in biosignal processing. The main challenge is however to formulate embedding methods that map biosignal…

Signal Processing · Electrical Eng. & Systems 2019-01-01 Michael Hersche , José del R. Millán , Luca Benini , Abbas Rahimi

Support vector machine (SVM), is a popular kernel method for data classification that demonstrated its efficiency for a large range of practical applications. The method suffers, however, from some weaknesses including; time processing,…

Machine Learning · Computer Science 2023-08-23 Lakhdar Remaki

Data similarity is a key concept in many data-driven applications. Many algorithms are sensitive to similarity measures. To tackle this fundamental problem, automatically learning of similarity information from data via self-expression has…

Machine Learning · Computer Science 2019-03-12 Zhao Kang , Yiwei Lu , Yuanzhang Su , Changsheng Li , Zenglin Xu

In the field of biological research, it is essential to comprehend the characteristics and functions of molecular sequences. The classification of molecular sequences has seen widespread use of neural network-based techniques. Despite their…

Machine Learning · Computer Science 2024-02-14 Sarwan Ali , Tamkanat E Ali , Prakash Chourasia , Murray Patterson

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Kernel-based learning algorithms are widely used in machine learning for problems that make use of the similarity between object pairs. Such algorithms first embed all data points into an alternative space, where the inner product between…

Machine Learning · Statistics 2017-09-21 Amir-Hossein Karimi

Image reconstruction for positron emission tomography (PET) is challenging because of the ill-conditioned tomographic problem and low counting statistics. Kernel methods address this challenge by using kernel representation to incorporate…

Image and Video Processing · Electrical Eng. & Systems 2022-05-26 Siqi Li , Guobao Wang

In this paper we present new algorithms for training reduced-size nonlinear representations in the Kernel Dictionary Learning (KDL) problem. Standard KDL has the drawback of a large size of the kernel matrix when the data set is large.…

Signal Processing · Electrical Eng. & Systems 2023-07-19 Denis C. Ilie-Ablachim , Bogdan Dumitrescu

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

Metric and kernel learning are important in several machine learning applications. However, most existing metric learning algorithms are limited to learning metrics over low-dimensional data, while existing kernel learning algorithms are…

Machine Learning · Computer Science 2009-11-02 Prateek Jain , Brian Kulis , Jason V. Davis , Inderjit S. Dhillon

We introduce a regularization loss based on kernel mean embeddings with rotation-invariant kernels on the hypersphere (also known as dot-product kernels) for self-supervised learning of image representations. Besides being fully competitive…

Computer Vision and Pattern Recognition · Computer Science 2023-03-09 Léon Zheng , Gilles Puy , Elisa Riccietti , Patrick Pérez , Rémi Gribonval

Multi-sequence MRIs can be necessary for reliable diagnosis in clinical practice due to the complimentary information within sequences. However, redundant information exists across sequences, which interferes with mining efficient…

Computer Vision and Pattern Recognition · Computer Science 2023-02-02 Luyi Han , Tao Tan , Tianyu Zhang , Yunzhi Huang , Xin Wang , Yuan Gao , Jonas Teuwen , Ritse Mann