2,817 research outputs found
Incremental spectral clustering and its application to topological mapping
This paper presents a novel use of spectral clustering algorithms to support cases where the entries in the affinity matrix are costly to compute. The method is incremental – the
spectral clustering algorithm is applied to the affinity matrix after each row/column is added – which makes it possible to inspect the clusters as new data points are added. The method is well suited to the problem of appearance-based, on-line topological mapping for mobile robots. In this problem domain, we show that we can reduce environment-dependent parameters of the clustering algorithm to just a single, intuitive parameter. Experimental results in large outdoor and indoor environments
show that we can close loops correctly by computing only a fraction of the entries in the affinity matrix. The accompanying video clip shows how an example map is produced by the
algorithm
Methods of Hierarchical Clustering
We survey agglomerative hierarchical clustering algorithms and discuss
efficient implementations that are available in R and other software
environments. We look at hierarchical self-organizing maps, and mixture models.
We review grid-based clustering, focusing on hierarchical density-based
approaches. Finally we describe a recently developed very efficient (linear
time) hierarchical clustering algorithm, which can also be viewed as a
hierarchical grid-based algorithm.Comment: 21 pages, 2 figures, 1 table, 69 reference
ProtNN: Fast and Accurate Nearest Neighbor Protein Function Prediction based on Graph Embedding in Structural and Topological Space
Studying the function of proteins is important for understanding the
molecular mechanisms of life. The number of publicly available protein
structures has increasingly become extremely large. Still, the determination of
the function of a protein structure remains a difficult, costly, and time
consuming task. The difficulties are often due to the essential role of spatial
and topological structures in the determination of protein functions in living
cells. In this paper, we propose ProtNN, a novel approach for protein function
prediction. Given an unannotated protein structure and a set of annotated
proteins, ProtNN finds the nearest neighbor annotated structures based on
protein-graph pairwise similarities. Given a query protein, ProtNN finds the
nearest neighbor reference proteins based on a graph representation model and a
pairwise similarity between vector embedding of both query and reference
protein-graphs in structural and topological spaces. ProtNN assigns to the
query protein the function with the highest number of votes across the set of k
nearest neighbor reference proteins, where k is a user-defined parameter.
Experimental evaluation demonstrates that ProtNN is able to accurately classify
several datasets in an extremely fast runtime compared to state-of-the-art
approaches. We further show that ProtNN is able to scale up to a whole PDB
dataset in a single-process mode with no parallelization, with a gain of
thousands order of magnitude of runtime compared to state-of-the-art
approaches
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