A faster graph kernel using optical random features.
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Exploratory analysis over network data is often limited by the ability to efficiently calculate graph statistics, which can provide a model-free understanding of the macroscopic properties of a network. We introduce a framework for estimating the graphlet count---the number of occurrences of a small subgraph motif (e.g…
Graphlets are defined as k-node connected induced subgraph patterns. For an undirected graph, 3-node graphlets include close triangle and open triangle. When k = 4, there are six types of graphlets, e.g., tailed-triangle and clique are two possible 4-node graphlets. The number of each graphlet, called graphlet count, i…
GraphMoE generates random graphs using neural networks and graphlets.
From social science to biology, numerous applications often rely on graphlets for intuitive and meaningful characterization of networks at both the global macro-level as well as the local micro-level. While graphlets have witnessed a tremendous success and impact in a variety of domains, there has yet to be a fast and …
Repelling random walks improve graph-based sampling efficiency.
Graphlets are induced subgraphs of a large network and are important for understanding and modeling complex networks. Despite their practical importance, graphlets have been severely limited to applications and domains with relatively small graphs. Most previous work has focused on exact algorithms, however, it is ofte…
Graph-based methods are known to be successful in many machine learning and pattern classification tasks. These methods consider semi-structured data as graphs where nodes correspond to primitives (parts, interest points, segments, etc.) and edges characterize the relationships between these primitives. However, these …
As proteins with similar structures often have similar functions, analysis of protein structures can help predict protein functions and is thus important. We consider the problem of protein structure classification, which computationally classifies the structures of proteins into pre-defined groups. We develop a weight…
Global pairwise network alignment (GPNA) aims to find a one-to-one node mapping between two networks that identifies conserved network regions. GPNA algorithms optimize node conservation (NC) and edge conservation (EC). NC quantifies topological similarity between nodes. Graphlet-based degree vectors (GDVs) are a state…
Massively parallel architectures such as the GPU are becoming increasingly important due to the recent proliferation of data. In this paper, we propose a key class of hybrid parallel graphlet algorithms that leverages multiple CPUs and GPUs simultaneously for computing k-vertex induced subgraph statistics (called graph…
This paper introduces a novel graph-analytic approach for detecting anomalies in network flow data called GraphPrints. Building on foundational network-mining techniques, our method represents time slices of traffic as a graph, then counts graphlets -- small induced subgraphs that describe local topology. By performing…
Despite being very successful within the pattern recognition and machine learning community, graph-based methods are often unusable because of the lack of mathematical operations defined in graph domain. Graph embedding, which maps graphs to a vectorial space, has been proposed as a way to tackle these difficulties ena…
Experimental determination of protein function is resource-consuming. As an alternative, computational prediction of protein function has received attention. In this context, protein structural classification (PSC) can help, by allowing for determining structural classes of currently unclassified proteins based on thei…
Consider a linear regression model where the design matrix X has n rows and p columns. We assume (a) p is much large than n, (b) the coefficient vector beta is sparse in the sense that only a small fraction of its coordinates is nonzero, and (c) the Gram matrix G = X'X is sparse in the sense that each row has relativel…
Previous work in network analysis has focused on modeling the mixed-memberships of node roles in the graph, but not the roles of edges. We introduce the edge role discovery problem and present a generalizable framework for learning and extracting edge roles from arbitrary graphs automatically. Furthermore, while existi…
GNNS uses graph neural networks to efficiently estimate subgraph frequency distributions.
This paper presents a general graph representation learning framework called DeepGL for learning deep node and edge representations from large (attributed) graphs. In particular, DeepGL begins by deriving a set of base features (e.g., graphlet features) and automatically learns a multi-layered hierarchical graph repres…
Many unsupervised kernel methods rely on the estimation of the kernel covariance operator (kernel CO) or kernel cross-covariance operator (kernel CCO). Both kernel CO and kernel CCO are sensitive to contaminated data, even when bounded positive definite kernels are used. To the best of our knowledge, there are few well…
Survey of kernels, RKHS, and their applications in machine learning.
To the best of our knowledge, there are no general well-founded robust methods for statistical unsupervised learning. Most of the unsupervised methods explicitly or implicitly depend on the kernel covariance operator (kernel CO) or kernel cross-covariance operator (kernel CCO). They are sensitive to contaminated data, …
Deep neural kernels and Laplace kernel have equivalent RKHS on spheres.
Kernel methods linked to feature subspaces and maximal correlation kernels.
Adapts manifold structure for better clustering performance.
PGF kernels analyze spherical data using generalized RBF kernels.
Optimal kernel in KR can be data-dependent, improving model performance.
Quantum kernels can be efficiently embedded into classical feature spaces.
New random feature maps for Laplacian and related kernels.
New method for learning with non-Euclidean data using decomposable kernels.
New estimator reduces kernel mean estimation error.
Estimates kernel eigenvalues for compositional dot-product kernels.
Optimal Biweight kernel and computationally efficient Epanechnikov kernel for modal linear regression.
We present Random Partition Kernels, a new class of kernels derived by demonstrating a natural connection between random partitions of objects and kernels between those objects. We show how the construction can be used to create kernels from methods that would not normally be viewed as random partitions, such as Random…
The NNGP kernel's predictions closely match those of the Matern kernel under certain conditions.
In this paper, we compare 5 different nonlinear kernels: min-max, RBF, fRBF (folded RBF), acos, and acos-, on a wide range of publicly available datasets. The proposed fRBF kernel performs very similarly to the RBF kernel. Both RBF and fRBF kernels require an important tuning parameter (). Interestingly, for a …
New kernels allow learning from non-separable data.
Laplace kernel and Neural Tangent Kernels are shown to be nearly identical for normalized data.
Kernel smoothing on unknown manifolds with bounds and asymptotic normality.
In this paper we propose a family of tractable kernels that is dense in the family of bounded positive semi-definite functions (i.e. can approximate any bounded kernel with arbitrary precision). We start by discussing the case of stationary kernels, and propose a family of spectral kernels that extends existing approac…
The success of kernel-based learning methods depend on the choice of kernel. Recently, kernel learning methods have been proposed that use data to select the most appropriate kernel, usually by combining a set of base kernels. We introduce a new algorithm for kernel learning that combines a {\em continuous set of base …
Quantum kernel machines need to use more complex kernels to fully exploit their potential.
New kernels capture both local and non-local interactions efficiently.
Constructing the adjacency graph is fundamental to graph-based clustering. Graph learning in kernel space has shown impressive performance on a number of benchmark data sets. However, its performance is largely determined by the chosen kernel matrix. To address this issue, the previous multiple kernel learning algorith…
Optimal kernel improves estimation accuracy in modal statistical methods.
Efficiently searches through Gaussian process kernels using symbolic representation and Bayesian optimization.
The term "CoRE kernel" stands for correlation-resemblance kernel. In many applications (e.g., vision), the data are often high-dimensional, sparse, and non-binary. We propose two types of (nonlinear) CoRE kernels for non-binary sparse data and demonstrate the effectiveness of the new kernels through a classification ex…
MKLpy simplifies Multiple Kernel Learning in Python.
Sparse Kernel Flows learns dynamical systems from data.