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Active Learning in the Drug Discovery Process

Neural Information Processing Systems

We investigate the following data mining problem from Computational Chemistry: From a large data set of compounds, find those that bind to a target molecule in as few iterations of biological testing as possible. In each iteration a comparatively small batch of compounds is screened for binding to the target. We apply active learning techniques for selecting the successive batches. One selection strategy picks unlabeled examples closest to the maximum margin hyperplane. Another produces many weight vectors by running perceptrons over multiple permutations of the data.


The Intelligent surfer: Probabilistic Combination of Link and Content Information in PageRank

Neural Information Processing Systems

Traditional information retrieval techniques can give poor results on the Web, with its vast scale and highly variable content quality. Recently, however, it was found that Web search results can be much improved by using the information contained in the link structure between pages. The two best-known algorithms which do this are HITS [1] and PageRank [2]. The latter is used in the highly successful Google search engine [3]. The heuristic underlying both of these approaches is that pages with many inlinks are more likely to be of high quality than pages with few inlinks, given that the author of a page will presumably include in it links to pages that s/he believes are of high quality.


A Bayesian Network for Real-Time Musical Accompaniment

Neural Information Processing Systems

We describe a computer system that provides a real-time musical accompanimentfor a live soloist in a piece of non-improvised music for soloist and accompaniment. A Bayesian network is developed thatrepresents the joint distribution on the times at which the solo and accompaniment notes are played, relating the two parts through a layer of hidden variables. The network is first constructed usingthe rhythmic information contained in the musical score. The network is then trained to capture the musical interpretations ofthe soloist and accompanist in an off-line rehearsal phase. During live accompaniment the learned distribution of the network is combined with a real-time analysis of the soloist's acoustic signal, performedwith a hidden Markov model, to generate a musically principledaccompaniment that respects all available sources of knowledge. A live demonstration will be provided.


Learning a Gaussian Process Prior for Automatically Generating Music Playlists

Neural Information Processing Systems

This paper presents AutoDJ: a system for automatically generating music playlistsbased on one or more seed songs selected by a user. AutoDJ uses Gaussian Process Regression to learn a user preference function over songs. This function takes music metadata as inputs. This paper further introduces Kernel Meta-Training, which is a method of learning a Gaussian Process kernel from a distribution of functions that generates the learned function. For playlist generation, AutoDJ learns a kernel from a large set of albums. This learned kernel is shown to be more effective at predicting users' playlists than a reasonable hand-designed kernel.


Hyperbolic Self-Organizing Maps for Semantic Navigation

Neural Information Processing Systems

We introduce a new type of Self-Organizing Map (SOM) to navigate in the Semantic Space of large text collections. We propose a "hyperbolic SOM"(HSOM) based on a regular tesselation of the hyperbolic plane, which is a non-euclidean space characterized by constant negative gaussian curvature. The exponentially increasing size of a neighborhood around a point in hyperbolic space provides more freedom to map the complex information space arising from language into spatial relations. We describe experiments, showing that the HSOM can successfully be applied to text categorization tasks and yields results comparable to other state-of-the-art methods.


Prodding the ROC Curve: Constrained Optimization of Classifier Performance

Neural Information Processing Systems

When designing a two-alternative classifier, one ordinarily aims to maximize the classifier's ability to discriminate between members of the two classes. We describe a situation in a real-world business application of machine-learning prediction in which an additional constraint is placed on the nature of the solution: thatthe classifier achieve a specified correct acceptance or correct rejection rate (i.e., that it achieve a fixed accuracy on members of one class or the other). Our domain is predicting churn in the telecommunications industry. Churn refers to customers who switch from one service provider to another. We propose fouralgorithms for training a classifier subject to this domain constraint, and present results showing that each algorithm yields a reliable improvement in performance.


Using Vocabulary Knowledge in Bayesian Multinomial Estimation

Neural Information Processing Systems

Recent approaches have used uncertainty over the vocabulary of symbols in a multinomial distribution as a means of accounting for sparsity. We present a Bayesian approach that allows weak prior knowledge, in the form of a small set of approximate candidate vocabularies, to be used to dramatically improve the resulting estimates. We demonstrate these improvements in applications to text compression andestimating distributions over words in newsgroup data. 1 Introduction Sparse multinomial distributions arise in many statistical domains, including natural languageprocessing and graphical models. Consequently, a number of approaches toparameter estimation for sparse multinomial distributions have been suggested [3]. These approaches tend to be domain-independent: they make little use of prior knowledge about a specific domain. In many domains where multinomial distributionsare estimated there is often at least weak prior knowledge about' the potential structure of distributions, such as a set of hypotheses about restricted vocabularies from which the symbols might be generated. Such knowledge can be solicited from experts or obtained from unlabeled data. We present a method for Bayesian_parameter estimation in sparse discrete domains that exploits this weak form of prior knowledge to improve estimates over knowledge-free approaches.


Improvisation and Learning

Neural Information Processing Systems

This article presents a 2-phase computational learning model and application. Asa demonstration, a system has been built, called CHIME for Computer Human Interacting Musical Entity. In phase 1 of training, recurrent back-propagationtrains the machine to reproduce 3 jazz melodies. The recurrent network is expanded and is further trained in phase 2 with a reinforcement learning algorithm and a critique produced by a set of basic rules for jazz improvisation.


Estimating Car Insurance Premia: a Case Study in High-Dimensional Data Inference

Neural Information Processing Systems

This conditional expected claim amount is called the pure premium and it is the basis of the gross premium charged to the insured. This expected value is conditionned on information available about the insured and about the contract, which we call input profile here. This regression problem is difficult for several reasons: large number of examples, -large number variables (most of which are discrete and multi-valued), non-stationarity of the distribution, and a conditional distribution of the dependent variable which is very different from those usually encountered in typical applications .of


Tempo tracking and rhythm quantization by sequential Monte Carlo

Neural Information Processing Systems

We present a probabilistic generative model for timing deviations in expressive music. The structure of the proposed model is equivalent to a switching state space model. We formulate twowell known music recognition problems, namely tempo tracking and automatic transcription (rhythm quantization) as filtering andmaximum a posteriori (MAP) state estimation tasks. The inferences are carried out using sequential Monte Carlo integration (particlefiltering) techniques. For this purpose, we have derived a novel Viterbi algorithm for Rao-Blackwellized particle filters, wherea subset of the hidden variables is integrated out.