相关论文: Virtual screening with support vector machines and…

The principle of translation equivariance (if an input image is translated an output image should be translated by the same amount), led to the development of convolutional neural networks that revolutionized machine vision. Other…

Quantum machine learning is a growing research field that aims to perform machine learning tasks assisted by a quantum computer. Kernel-based quantum machine learning models are paradigmatic examples where the kernel involves quantum…

Learning a kernel matrix from relative comparison human feedback is an important problem with applications in collaborative filtering, object retrieval, and search. For learning a kernel over a large number of objects, existing methods face…

The most popular graph indices for vector search use principles from computational geometry to build the graph. Hence, their formal graph navigability guarantees are only valid in Euclidean space. In this work, we show that machine learning…

In this article, a large dimensional performance analysis of kernel least squares support vector machines (LS-SVMs) is provided under the assumption of a two-class Gaussian mixture model for the input data. Building upon recent advances in…

Quantitative Structure-Activity Relationship (QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This research proposes enhancing…

Support vector clustering (SVC) is a versatile clustering technique that is able to identify clusters of arbitrary shapes by exploiting the kernel trick. However, one hurdle that restricts the application of SVC lies in its sensitivity to…

The Nystr\"om methods have been popular techniques for scalable kernel based learning. They approximate explicit, low-dimensional feature mappings for kernel functions from the pairwise comparisons with the training data. However, Nystr\"om…

Face Recognition (FR) has been the interest to several researchers over the past few decades due to its passive nature of biometric authentication. Despite high accuracy achieved by face recognition algorithms under controlled conditions,…

The G-protein coupled receptor (GPCR) superfamily is currently the largest class of therapeutic targets. \textit{In silico} prediction of interactions between GPCRs and small molecules is therefore a crucial step in the drug discovery…

Numerically efficient and stable algorithms are essential for kernel-based regularized system identification. The state of art algorithms exploit the semiseparable structure of the kernel and are based on the generator representation of the…

Computing a consensus object from a set of given objects is a core problem in machine learning and pattern recognition. One popular approach is to formulate it as an optimization problem using the generalized median. Previous methods like…

Recently, machine learning had a remarkable impact, from scientific to everyday-life applications. However, complex tasks often imply unfeasible energy and computational power consumption. Quantum computation might lower such requirements,…

We present a new approach to obtaining photometric redshifts using a kernel learning technique called Support Vector Machines (SVMs). Unlike traditional spectral energy distribution fitting, this technique requires a large and…

We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing…

We propose digital-analog quantum kernels for enhancing the detection of complex features in the classification of images. We consider multipartite-entangled analog blocks, stemming from native Ising interactions in neutral-atom quantum…

Many kinds of data are naturally amenable to being treated as sequences. An example is text data, where a text may be seen as a sequence of words. Another example is clickstream data, where a data instance is a sequence of clicks made by a…

Identifying coherent spatiotemporal patterns generated by complex dynamical systems is a central problem in many science and engineering disciplines. Here, we combine ideas from the theory of operator-valued kernels with delay-embedding…

Recently a new formulation of quantum mechanics has been suggested which describes systems by means of ensembles of classical particles provided with a sign. This novel approach mainly consists of two steps: the computation of the Wigner…

Autonomous materials science, where active learning is used to navigate large compositional phase space, has emerged as a powerful vehicle to rapidly explore new materials. A crucial aspect of autonomous materials science is exploring new…