Compounds in drug screening-libraries should resemble pharmaceuticals. To operationally test this, we analysed the compounds in terms of known drug-like filters and developed a novel machinelearning method to discrim...
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ISBN:
(纸本)9783642040306
Compounds in drug screening-libraries should resemble pharmaceuticals. To operationally test this, we analysed the compounds in terms of known drug-like filters and developed a novel machinelearning method to discriminate approved pharmaceuticals from "drug-like" compounds. this method uses both structural features and molecular properties for discrimination. the method has an estimated accuracy of 91% in discriminating between the Maybridge Hit-Finder library and approved pharmaceuticals, and 99% between the NATDiverse collection (from Analyticon Discovery) and approved pharmaceuticals. these results show that Lipinski's Rule of 5 for oral absorption is not Sufficient to describe "drug-likeness" and be the main basis of screening-library design.
We consider the problem of learning classifiers from samples which have additional features that are absent due to noise or corruption of measurement. the common approach for handling missing features in discriminativ...
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ISBN:
(纸本)9783642030697
We consider the problem of learning classifiers from samples which have additional features that are absent due to noise or corruption of measurement. the common approach for handling missing features in discriminative models is first to complete their unknown values, anti then a standard classification algorithm is employed over the completed data. In this paper, an algorithm which aims to maximize the margin of each sample in its own relevant subspace is proposed. We show how incomplete data can be classified directly without completing any missing features in a large-margin learning framework. Moreover, according to the theory of optimal kernel function, we proposed an optimal kernel function which is a convex composition of a set of linear kernel function to measure the similarity between additional features of each two samples. Based on the geometric interpretation of the margin, we formulate an objective function to maximize the margin of each sample in its own relevant subspace. In this formulation. we make use of the Structural parameters trained front existing features and optimize the structural parameters trained front additional features only. A two-step iterative procedure for solving, the objective function is proposed. By avoiding the pre-processing phase in which the data is completed, our algorithm Could offer considerable computational saving. We demonstrate our results on a number of standard benchmarks from UCI and the results Show that our algorithm can achieve better or comparable classification accuracy compared to the existing algorithms.
It is fundamental work to translate the historical characters called "kuzushi-ji" into the contemporary characters in Japanese historical studies. In this paper, we develop the japanese historical character ...
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the proceedings contain 65 papers. the topics discussed include: inference and learning for active sensing, experimental design and control;large scale online learning of image similarity through ranking;inpainting id...
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ISBN:
(纸本)3642021719
the proceedings contain 65 papers. the topics discussed include: inference and learning for active sensing, experimental design and control;large scale online learning of image similarity through ranking;inpainting ideas for image compression;smoothed disparity maps for continuous American sign language recognition;human action recognition using optical flow accumulated local histograms;trajectory modeling using mixtures of vector fields;high speed human detection using a multiresolution cascade of histograms of oriented gradients;face-to-face social activity detection using data collected with a wearable device;estimating vehicle velocity using Image profiles on rectified images;kernel based multi-object tracking using gabor functions embedded in a region covariance matrix;and autonomous configuration of parameters in robotic digital cameras.
Organ transplantation is a highly complex decision process that requires expert, decisions. the major problem ill a transplantation procedure is the possibility of the receiver's immune system attack and destroy t...
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ISBN:
(纸本)9783642030697
Organ transplantation is a highly complex decision process that requires expert, decisions. the major problem ill a transplantation procedure is the possibility of the receiver's immune system attack and destroy the transplanted tissue. It is therefore of capital importance to find a donor withthe highest possible compatibility withthe receiver, and thus reduce rejection. Finding a good donor is not a straightforward task because a complex network of relations exist's between the immunological and the clinical variables that, influence the receivers acceptance of the transplanted organ. Currently the process of analyzing these variables involves a careful study by the clinical transplant team. the number and complexity of the relations between variables make the manual process very slow. Ill this paper we propose and compare two machinelearning algorithms that might help the transplant team ill improving and Speeding up their decisions. We achieve that objective by analyzing past real cases and constructing models as set, of rules. Such models are accurate and understandable by experts.
In this paper we address the problem of using bet selections of a large number of mostly non-expert users to improve sports betting tips. A similarity based approach is used to describe individual users' strategie...
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Pervasive healthcare applications help to improve elderly and needy persons habitability by assisting them in living autonomously, and letting them participate in social communities and family life. these applications...
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ISBN:
(纸本)9788374934701
Pervasive healthcare applications help to improve elderly and needy persons habitability by assisting them in living autonomously, and letting them participate in social communities and family life. these applications are often highly complex. the data gained from many wireless sensors running on different sensor platforms is usually further processed and interpreted by machinelearning and patternrecognition components. the complexity of these systems stems from different types of environmental and vital parameters, different sampling rates, heterogeneous sensor platforms, unreliable network connections, as well as different programming languages that must be tailored to the use-case and the application environment. For further development decisions and to improve existing pervasive healthcare applications is the analysis and evaluation of known approaches a well known method. In this paper we present an evaluation framework for pervasive healthcare applications, which allows us to separate different approaches and discuss important aspects.
this book constitutes the refereed proceedings of the 8thinternationalconference on Intelligent data Analysis, IDA 2009, held in Lyon, France, August 31 September 2, 2009. the 33 revised papers, 18 full oral present...
ISBN:
(数字)9783642039157
ISBN:
(纸本)9783642039140
this book constitutes the refereed proceedings of the 8thinternationalconference on Intelligent data Analysis, IDA 2009, held in Lyon, France, August 31 September 2, 2009. the 33 revised papers, 18 full oral presentations and 15 poster and short oral presentations, presented were carefully reviewed and selected from almost 80 submissions. All current aspects of this interdisciplinary field are addressed; for example interactive tools to guide and support data analysis in complex scenarios, increasing availability of automatically collected data, tools that intelligently support and assist human analysts, how to control clustering results and isotonic classification trees. In general the areas covered include statistics, machinelearning, datamining, classification and patternrecognition, clustering, applications, modeling, and interactive dynamic data visualization.
A number of studies have presented machine-learning approaches to semantic role labeling with availability of corpora such as FrameNet and PropBank. these corpora define the semantic roles of predicates for each frame...
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For many biomedical modelling tasks a number of different types of data may influence predictions made by the model. Ail established approach to pursuing supervised learning with multiple types of data, is to encode t...
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ISBN:
(纸本)9783642040306
For many biomedical modelling tasks a number of different types of data may influence predictions made by the model. Ail established approach to pursuing supervised learning with multiple types of data, is to encode these different types of data into separate kernels and use multiple kernel learning. In this paper we propose a, simple iterative approach to multiple kernel learning (MKL), focusing on multi-class classification. this approach uses a block L-1-regularization term leading to a jointly convex formulation. It solves a standard multi-class classification problem for a single kernel, and then updates the kernel combinatorial coefficients based oil mixed RKHS norms. As opposed to other MKL approaches, our iterative approach delivers a largely ignored message that MKL does not require sophisticated optimization methods while keeping competitive training times and accuracy across a variety of problems. We show that the proposed method outperforms state-of-the-art results oil all important protein fold prediction dataset and gives competitive performance on a protein subcellular localization task.
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