1,120 research outputs found
DSL: Discriminative Subgraph Learning via Sparse Self-Representation
The goal in network state prediction (NSP) is to classify the global state
(label) associated with features embedded in a graph. This graph structure
encoding feature relationships is the key distinctive aspect of NSP compared to
classical supervised learning. NSP arises in various applications: gene
expression samples embedded in a protein-protein interaction (PPI) network,
temporal snapshots of infrastructure or sensor networks, and fMRI coherence
network samples from multiple subjects to name a few. Instances from these
domains are typically ``wide'' (more features than samples), and thus, feature
sub-selection is required for robust and generalizable prediction. How to best
employ the network structure in order to learn succinct connected subgraphs
encompassing the most discriminative features becomes a central challenge in
NSP. Prior work employs connected subgraph sampling or graph smoothing within
optimization frameworks, resulting in either large variance of quality or weak
control over the connectivity of selected subgraphs.
In this work we propose an optimization framework for discriminative subgraph
learning (DSL) which simultaneously enforces (i) sparsity, (ii) connectivity
and (iii) high discriminative power of the resulting subgraphs of features. Our
optimization algorithm is a single-step solution for the NSP and the associated
feature selection problem. It is rooted in the rich literature on
maximal-margin optimization, spectral graph methods and sparse subspace
self-representation. DSL simultaneously ensures solution interpretability and
superior predictive power (up to 16% improvement in challenging instances
compared to baselines), with execution times up to an hour for large instances.Comment: 9 page
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
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
Outlier Detection from Network Data with Subnetwork Interpretation
Detecting a small number of outliers from a set of data observations is
always challenging. This problem is more difficult in the setting of multiple
network samples, where computing the anomalous degree of a network sample is
generally not sufficient. In fact, explaining why the network is exceptional,
expressed in the form of subnetwork, is also equally important. In this paper,
we develop a novel algorithm to address these two key problems. We treat each
network sample as a potential outlier and identify subnetworks that mostly
discriminate it from nearby regular samples. The algorithm is developed in the
framework of network regression combined with the constraints on both network
topology and L1-norm shrinkage to perform subnetwork discovery. Our method thus
goes beyond subspace/subgraph discovery and we show that it converges to a
global optimum. Evaluation on various real-world network datasets demonstrates
that our algorithm not only outperforms baselines in both network and high
dimensional setting, but also discovers highly relevant and interpretable local
subnetworks, further enhancing our understanding of anomalous networks
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
kLog: A Language for Logical and Relational Learning with Kernels
We introduce kLog, a novel approach to statistical relational learning.
Unlike standard approaches, kLog does not represent a probability distribution
directly. It is rather a language to perform kernel-based learning on
expressive logical and relational representations. kLog allows users to specify
learning problems declaratively. It builds on simple but powerful concepts:
learning from interpretations, entity/relationship data modeling, logic
programming, and deductive databases. Access by the kernel to the rich
representation is mediated by a technique we call graphicalization: the
relational representation is first transformed into a graph --- in particular,
a grounded entity/relationship diagram. Subsequently, a choice of graph kernel
defines the feature space. kLog supports mixed numerical and symbolic data, as
well as background knowledge in the form of Prolog or Datalog programs as in
inductive logic programming systems. The kLog framework can be applied to
tackle the same range of tasks that has made statistical relational learning so
popular, including classification, regression, multitask learning, and
collective classification. We also report about empirical comparisons, showing
that kLog can be either more accurate, or much faster at the same level of
accuracy, than Tilde and Alchemy. kLog is GPLv3 licensed and is available at
http://klog.dinfo.unifi.it along with tutorials
Predictive analysis of real-time strategy games using graph mining
Machine learning and computational intelligence have facilitated the development of recommendation systems for a broad range of domains. Such recommendations are based on contextual information that is explicitly provided or pervasively collected. Recommendation systems often improve decision-making or increase the efficacy of a task. Real-Time Strategy (RTS) video games are not only a popular entertainment medium, they also are an abstraction of many real-world applications where the aim is to increase your resources and decrease those of your opponent. Using predictive analytics, which examines past examples of success and failure, we can learn how to predict positive outcomes for such scenarios. To do this, one way to represent this type of data in order to model relationships between entities is by using graphs. The vast amount of data has resulting in complex and large graphs that are difficult to process. Hence, researchers frequently employ parallelized or distributed processing. But first, the graph data must be partitioned and assigned to multiple processors in such a way that the workload will be balanced, and inter-processor communication will be minimized. The latter problem may be complicated by the existence of edges between vertices in a graph that have been assigned to different processors. One objective of this research is to develop an accurate predictive recommendation system for multiplayer strategic games to determine recommendations for moves that a player should, and should not, make which can provide a competitive advantage. Another objective is to determine how to partition a single undirected graph in order to optimize multiprocessor load balancing and reduce the number of edges between split subgraphs --Abstract, page iv
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