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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 accompaniment for a live soloist in a piece of non-improvised music for soloist and accompaniment. A Bayesian network is developed that represents 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 using the rhythmic information contained in the musical score. The network is then trained to capture the musical interpretations of the 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, performed with a hidden Markov model, to generate a musically principled accompaniment 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 playlists based 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: that the 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 four algorithms for training a classifier subject to this domain constraint, and present results showing that each algorithm yields a reliable improvement in performance.


Cobot: A Social Reinforcement Learning Agent

Neural Information Processing Systems

We report on the use of reinforcement learning with Cobot, a software agent residing in the well-known online community LambdaMOO. Our initial work on Cobot (Isbell et al.2000) provided him with the ability to collect social statistics and report them to users. Here we describe an application of RL allowing Cobot to take proactive actions in this complex social environment, and adapt behavior from multiple sources of human reward. After 5 months of training, and 3171 reward and punishment events from 254 different LambdaMOO users, Cobot learned nontrivial preferences for a number of users, modifing his behavior based on his current state. Here we describe LambdaMOO and the state and action spaces of Cobot, and report the statistical results of the learning experiment.


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 and estimating distributions over words in newsgroup data.


Improvisation and Learning

Neural Information Processing Systems

This article presents a 2-phase computational learning model and application. As a demonstration, a system has been built, called CHIME for Computer Human Interacting Musical Entity. In phase 1 of training, recurrent back-propagation trains 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.