1,642 research outputs found
Efficient mining of discriminative molecular fragments
Frequent pattern discovery in structured data is receiving
an increasing attention in many application areas of sciences. However, the computational complexity and the large amount of data to be explored often make the sequential algorithms unsuitable. In this context high performance distributed computing becomes a very interesting and promising approach. In this paper we present a parallel formulation of the frequent subgraph mining problem to discover interesting patterns in molecular compounds. The application is characterized by a highly irregular tree-structured computation. No estimation is available for task workloads, which show a power-law distribution in a wide range. The proposed approach allows dynamic resource aggregation and provides fault and latency tolerance. These features make the distributed application suitable for multi-domain heterogeneous environments, such as computational Grids. The distributed application has been evaluated on the well known National Cancer Institute’s HIV-screening dataset
Dynamic load balancing for the distributed mining of molecular structures
In molecular biology, it is often desirable to find common properties in large numbers of drug candidates. One family of
methods stems from the data mining community, where algorithms to find frequent graphs have received increasing attention over the
past years. However, the computational complexity of the underlying problem and the large amount of data to be explored essentially
render sequential algorithms useless. In this paper, we present a distributed approach to the frequent subgraph mining problem to
discover interesting patterns in molecular compounds. This problem is characterized by a highly irregular search tree, whereby no
reliable workload prediction is available. We describe the three main aspects of the proposed distributed algorithm, namely, a dynamic
partitioning of the search space, a distribution process based on a peer-to-peer communication framework, and a novel receiverinitiated
load balancing algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer
Institute’s HIV-screening data set, where we were able to show close-to linear speedup in a network of workstations. The proposed
approach also allows for dynamic resource aggregation in a non dedicated computational environment. These features make it suitable
for large-scale, multi-domain, heterogeneous environments, such as computational grids
Distributed mining of molecular fragments
In real world applications sequential algorithms of
data mining and data exploration are often unsuitable for
datasets with enormous size, high-dimensionality and complex
data structure. Grid computing promises unprecedented
opportunities for unlimited computing and storage resources. In this context there is the necessity to develop
high performance distributed data mining algorithms.
However, the computational complexity of the problem and
the large amount of data to be explored often make the design of large scale applications particularly challenging. In this paper we present the first distributed formulation of a frequent subgraph mining algorithm for discriminative fragments of molecular compounds. Two distributed approaches have been developed and compared on the well known National Cancer Institute’s HIV-screening dataset. We present experimental results on a small-scale computing environment
Mining Brain Networks using Multiple Side Views for Neurological Disorder Identification
Mining discriminative subgraph patterns from graph data has attracted great
interest in recent years. It has a wide variety of applications in disease
diagnosis, neuroimaging, etc. Most research on subgraph mining focuses on the
graph representation alone. However, in many real-world applications, the side
information is available along with the graph data. For example, for
neurological disorder identification, in addition to the brain networks derived
from neuroimaging data, hundreds of clinical, immunologic, serologic and
cognitive measures may also be documented for each subject. These measures
compose multiple side views encoding a tremendous amount of supplemental
information for diagnostic purposes, yet are often ignored. In this paper, we
study the problem of discriminative subgraph selection using multiple side
views and propose a novel solution to find an optimal set of subgraph features
for graph classification by exploring a plurality of side views. We derive a
feature evaluation criterion, named gSide, to estimate the usefulness of
subgraph patterns based upon side views. Then we develop a branch-and-bound
algorithm, called gMSV, to efficiently search for optimal subgraph features by
integrating the subgraph mining process and the procedure of discriminative
feature selection. Empirical studies on graph classification tasks for
neurological disorders using brain networks demonstrate that subgraph patterns
selected by the multi-side-view guided subgraph selection approach can
effectively boost graph classification performances and are relevant to disease
diagnosis.Comment: in Proceedings of IEEE International Conference on Data Mining (ICDM)
201
A customizable multi-agent system for distributed data mining
We present a general Multi-Agent System framework for
distributed data mining based on a Peer-to-Peer model. Agent
protocols are implemented through message-based asynchronous
communication. The framework adopts a dynamic load balancing
policy that is particularly suitable for irregular search algorithms. A modular design allows a separation of the general-purpose system protocols and software components from the specific data mining algorithm. The experimental evaluation has been carried out on a parallel frequent subgraph mining algorithm, which has shown good scalability performances
LogCHEM: interactive discriminative mining of chemical structure
One of the most well known successes of Inductive Logic Programming (ILP) is on Structure-Activity Relationship (SAR) problems. In such problems, ILP has proved several times to be capable of constructing expert comprehensible models that hell) to explain the activity of chemical compounds based on their structure and properties. However, despite its successes on SAR problems, ILP has severe scalability problems that prevent its application oil larger datasets. In this paper we present LogCHEM, an ILP based tool for discriminative interactive mining of chemical fragments. LogCHEM tackles ILP's scalability issues in the context of SAR applications. We show that LogCHEM benefits from the flexibility of ILP both by its ability to quickly extend the original mining model, and by its ability, to interface with external tools. Furthermore, We demonstrate that LogCHEM can be used to mine effectively large chemoinformatics datasets, namely, several datasets from EPA's DSSTox database and on a dataset based on the DTP AIDS anti-viral screen
Algorithms for Extracting Frequent Episodes in the Process of Temporal Data Mining
An important aspect in the data mining process is the discovery of patterns having a great influence on the studied problem. The purpose of this paper is to study the frequent episodes data mining through the use of parallel pattern discovery algorithms. Parallel pattern discovery algorithms offer better performance and scalability, so they are of a great interest for the data mining research community. In the following, there will be highlighted some parallel and distributed frequent pattern mining algorithms on various platforms and it will also be presented a comparative study of their main features. The study takes into account the new possibilities that arise along with the emerging novel Compute Unified Device Architecture from the latest generation of graphics processing units. Based on their high performance, low cost and the increasing number of features offered, GPU processors are viable solutions for an optimal implementation of frequent pattern mining algorithmsFrequent Pattern Mining, Parallel Computing, Dynamic Load Balancing, Temporal Data Mining, CUDA, GPU, Fermi, Thread
Semi-Supervised Sparse Coding
Sparse coding approximates the data sample as a sparse linear combination of
some basic codewords and uses the sparse codes as new presentations. In this
paper, we investigate learning discriminative sparse codes by sparse coding in
a semi-supervised manner, where only a few training samples are labeled. By
using the manifold structure spanned by the data set of both labeled and
unlabeled samples and the constraints provided by the labels of the labeled
samples, we learn the variable class labels for all the samples. Furthermore,
to improve the discriminative ability of the learned sparse codes, we assume
that the class labels could be predicted from the sparse codes directly using a
linear classifier. By solving the codebook, sparse codes, class labels and
classifier parameters simultaneously in a unified objective function, we
develop a semi-supervised sparse coding algorithm. Experiments on two
real-world pattern recognition problems demonstrate the advantage of the
proposed methods over supervised sparse coding methods on partially labeled
data sets
Mining Representative Unsubstituted Graph Patterns Using Prior Similarity Matrix
One of the most powerful techniques to study protein structures is to look
for recurrent fragments (also called substructures or spatial motifs), then use
them as patterns to characterize the proteins under study. An emergent trend
consists in parsing proteins three-dimensional (3D) structures into graphs of
amino acids. Hence, the search of recurrent spatial motifs is formulated as a
process of frequent subgraph discovery where each subgraph represents a spatial
motif. In this scope, several efficient approaches for frequent subgraph
discovery have been proposed in the literature. However, the set of discovered
frequent subgraphs is too large to be efficiently analyzed and explored in any
further process. In this paper, we propose a novel pattern selection approach
that shrinks the large number of discovered frequent subgraphs by selecting the
representative ones. Existing pattern selection approaches do not exploit the
domain knowledge. Yet, in our approach we incorporate the evolutionary
information of amino acids defined in the substitution matrices in order to
select the representative subgraphs. We show the effectiveness of our approach
on a number of real datasets. The results issued from our experiments show that
our approach is able to considerably decrease the number of motifs while
enhancing their interestingness
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