16225700
QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine
The binding affinities to human serum albumin for 94 diverse drugs and drug-like compounds were modeled with the descriptors calculated from the molecular structure alone using a quantitative structure-activity relationship (QSAR) technique. The heuristic method (HM) and support vector machine (SVM) were utilized to construct the linear and nonlinear prediction models, leading to a good correlation coefficient (R2) of 0.86 and 0.94 and root-mean-square errors (rms) of 0.212 and 0.134 albumin drug binding affinity units, respectively. Furthermore, the models were evaluated by a 10 compound external test set, yielding R2 of 0.71 and 0.89 and rms error of 0.430 and 0.222. The specific information described by the heuristic linear model could give some insights into the factors that are likely to govern the binding affinity of the compounds and be used as an aid to the drug design process; however, the prediction results of the nonlinear SVM model seem to be better than that of the HM.
6057998
Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat Capacity
The support vector machine (SVM), as a novel type of learning machine, for the first time, was used to develop a Quantitative Structure-Property Relationship (QSPR) model of the heat capacity of a diverse set of 182 compounds based on the molecular descriptors calculated from the structure alone. Multiple linear regression (MLR) and radial basis function networks (RBFNNs) were also utilized to construct quantitative linear and nonlinear models to compare with the results obtained by SVM. The root-mean-square (rms) errors in heat capacity predictions for the whole data set given by MLR, RBFNNs, and SVM were 4.648, 4.337, and 2.931 heat capacity units, respectively. The prediction results are in good agreement with the experimental value of heat capacity; also, the results reveal the superiority of the SVM over MLR and RBFNNs models.
11225223
Diagnosing Breast Cancer Based on Support Vector Machines
The Support Vector Machine (SVM) classification algorithm, recently developed from the machine learning community, was used to diagnose breast cancer. At the same time, the SVM was compared to several machine learning techniques currently used in this field. The classification task involves predicting the state of diseases, using data obtained from the UCI machine learning repository. SVM outperformed k-means cluster and two artificial neural networks on the whole. It can be concluded that nine samples could be mislabeled from the comparison of several machine learning techniques.
5969857
A data mining approach to modeling relationships among categories in image collection
This paper proposes a data mining approach to modeling relationships among categories in image collection. In our approach, with image feature grouping, a visual dictionary is created for color, texture, and shape feature attributes respectively. Labeling each training image with the keywords in the visual dictionary, a classification tree is built. Based on the statistical properties of the feature space we define a structure, called α-Semantics Graph, to discover the hidden semantic relationships among the semantic categories embodied in the image collection. With the α-Semantics Graph, each semantic category is modeled as a unique fuzzy set to explicitly address the semantic uncertainty and semantic overlap among the categories in the feature space. The model is utilized in the semantics-intensive image retrieval application. An algorithm using the classification accuracy measures is developed to combine the built classification tree with the fuzzy set modeling method to deliver semantically relevant image retrieval for a given query image. The experimental evaluations have demonstrated that the proposed approach models the semantic relationships effectively and the image retrieval prototype system utilizing the derived model is promising both in effectiveness and efficiency.
7052862
Impact of the Inaccuracy of Distance Prediction Algorithms on Internet Applications - an Analytical and Comparative Study
Distance prediction algorithms use O(N) round trip time (RTT) measurements to predict the N2 RTTs among N nodes. Distance prediction can be applied to improve the performance of a wide variety of Internet applications: for instance, to guide the selection of a download server from multiple replicas, or to guide the construction of overlay networks or multicast trees. Although the accuracy of existing prediction algorithms has been extensively compared using the relative prediction error metric, their impact on applications has not been systematically studied. In this paper, we consider distance prediction algorithms from an application's perspective to answer the following questions: (1) Are existing prediction algorithms adequate for the applications? (2) Is there a significant performance difference between the different prediction algorithms, and which is the best from the application perspective? (3) How does the prediction error propagate to affect the user perceived application performance? (4) How can we address the fundamental limitation (i.e., inaccuracy) of distance prediction algorithms? We systematically experiment with three types of representative applications (overlay multicast, server selection, and overlay construction), three distance prediction algorithms (GNP, IDES, and the triangulated heuristic), and three real-world distance datasets (King, PlanetLab, and AMP). We find that, although using prediction can improve the performance of these applications, the achieved performance can be dramatically worse than the optimal case where the real distances are known. We formulate statistical models to explain this performance gap. In addition, we explore various techniques to improve the prediction accuracy and the performance of prediction-based applications. We find that selectively conducting a small number of measurements based on prediction-based screening is most effective.
3159534
FAST: Toward more effective and efficient image retrieval
This paper focuses on developing a Fast And Semantics-Tailored (FAST) image retrieval methodology. Specifically, the contributions of FAST methodology to the CBIR literature include: (1) development of a new indexing method based on fuzzy logic to incorporate color, texture, and shape information into a region-based approach to improving the retrieval effectiveness and robustness; (2) development of a new hierarchical indexing structure and the corresponding hierarchical, elimination-based A* retrieval (HEAR) algorithm to significantly improve the retrieval efficiency without sacrificing the retrieval effectiveness; it is shown that HEAR is guaranteed to deliver a logarithm search in the average case; (3) employment of user relevance feedback to tailor the effective retrieval to each user's individualized query preference through the novel indexing tree pruning (ITP) and adaptive region weight updating (ARWU) algorithms. Theoretical analysis and experimental evaluations show that FAST methodology holds great promise in delivering fast and semantics-tailored image retrieval in CBIR.
195908742
Threshold network synthesis and optimization and its application to nanotechnologies
We propose an algorithm for efficient threshold network synthesis of arbitrary multioutput Boolean functions. Many nanotechnologies, such as resonant tunneling diodes, quantum cellular automata, and single electron tunneling, are capable of implementing threshold logic efficiently. The main purpose of this work is to bridge the current wide gap between research on nanoscale devices and research on synthesis methodologies for generating optimized networks utilizing these devices. While functionally-correct threshold gates and circuits based on nanotechnologies have been successfully demonstrated, there exists no methodology or design automation tool for general multilevel threshold network synthesis. We have built the first such tool, threshold logic synthesizer (TELS), on top of an existing Boolean logic synthesis tool. Experiments with 56 multioutput benchmarks indicate that, compared to traditional logic synthesis, up to 80.0% and 70.6% reduction in gate count and interconnect count, respectively, is possible with the average being 22.7% and 12.6%, respectively. Furthermore, the synthesized networks are well-balanced structurally. The novelty of this work lies in the introduction of the first comprehensive synthesis methodology and tool for general multilevel threshold logic design.
8326799
Topology-Aware Peer-to-Peer On-demand Streaming
In this paper, we consider large-scale high-bandwidth on-demand media streaming in a dynamic and heterogeneous environment. We present MetaStream, a scalable and distributed content discovery protocol that enables clients across the Internet to self-organize into a topology-aware overlay network, in which they can “cache and relay” a stream among nearby peers. We present the design and implementation of MetaStream and show experimental results obtained in a large-scale emulated environment. Our evaluation shows that MetaStream distributes relaying load among the clients in a topology-aware manner, imposing low link cost to the underlying network and low streaming load on the media server. MetaStream is also highly resilient to node or network failures and is capable of quickly recovering the streaming quality at clients even at high failure rates.