3,008 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
High performance subgraph mining in molecular compounds
Structured data represented in the form of graphs arises in
several fields of the science and the growing amount of available data makes distributed graph mining techniques particularly relevant. In this paper, we present a distributed approach to the frequent subgraph mining
problem to discover interesting patterns in molecular compounds. The 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 receiver-initiated, load balancing
algorithm. The effectiveness of the distributed method has been evaluated on the well-known National Cancer Institute’s HIV-screening dataset, where the approach attains close-to linear speedup in a network
of workstations
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
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
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
Motif counting beyond five nodes
Counting graphlets is a well-studied problem in graph mining and social network analysis. Recently, several papers explored very simple and natural algorithms based on Monte Carlo sampling of Markov Chains (MC), and reported encouraging results. We show, perhaps surprisingly, that such algorithms are outperformed by color coding (CC) [2], a sophisticated algorithmic technique that we extend to the case of graphlet sampling and for which we prove strong statistical guarantees. Our computational experiments on graphs with millions of nodes show CC to be more accurate than MC; furthermore, we formally show that the mixing time of the MC approach is too high in general, even when the input graph has high conductance. All this comes at a price however. While MC is very efficient in terms of space, CC’s memory requirements become demanding when the size of the input graph and that of the graphlets grow. And yet, our experiments show that CC can push the limits of the state-of-the-art, both in terms of the size of the input graph and of that of the graphlets
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