18104124
A Note on Two Simple Transformations for Improving the Efficiency of an ILP System
Inductive Logic Programming (ILP) systems have had noteworthy successes in extracting comprehensible and accurate models for data drawn from a number of scientific and engineering domains. These results suggest that ILP methods could enhance the model-construction capabilities of software tools being developed for the emerging discipline of "knowledge discovery from databases." One significant concern in the use of ILP for this purpose is that of efficiency. The performance of modern ILP systems is principally affected by two issues: (1) they often have to search through very large numbers of possible rules (usually in the form of definite clauses); (2) they have to score each rule on the data (usually in the form of ground facts) to estimate "goodness". Stochastic and greedy approaches have been proposed to alleviate the complexity arising from each of these issues. While these techniques can result in order-of-magnitude improvements in the worst-case search complexity of an ILP system, they do so at the expense of exactness. As this may be unacceptable in some situations, we examine two methods that result in admissible transformations of clauses examined in a search. While the methods do not alter the size ofthe search space (that is, the number of clauses examined), they can alleviate the theorem-proving effort required to estimate goodness. The first transformation simply involves eliminating literals using a weak test for redundancy. The second involves partitioning the set of literals within a clause into groups that can be executed independently of each other. The efficacy ofthe se transformations are evaluated empirically on a number of well-known ILP datasets. The results suggest that for problems that require the use of highly nondeterminate predicates, the transformations can provide significant gains as the complexity of clauses sought increases.
27782030
The Applicability to ILP of Results Concerning the Ordering of Binomial Populations
Results obtained in the 1950's on the ordering of k binomial populations are directly applicable to computing the size of data sample required to identify the best amongst k theories in an ILP search. The basic problem considered is that of selecting the best one of k (k ≥= 2) binomial populations on the basis of the observed frequency of 'success' on n observations. In the statistical formulation of the problem the experimenter specifies that he or she would like to guarantee that the probability of correct selection is at least P* (0 ≤ P* < 1) whenever the true difference between the best and second best population is at least d* (0 < d* ≤ 1). The principal result of interest is that for large values of k, the value of n required to meet any fixed specification (d*, P*) is approximately equal to some constant multiple of ln k. Depending on the k, d* and P* specified, this value of n can be substantially lower than that obtained within the corresponding PAC formulation. Applied to the search conducted by an ILP algorithm, the result guarantees with confidence level P*, that the true accuracy of the theory selected will be no more than d* below that of the best theory. In this paper, we review this basic result and test its predictions empirically. We also comment on the relevance to ILP of more recent work in the field.
1268789
Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL
This paper presents a case study of a machine-aided knowledge discovery process within the general area of drug design. Within drug design, the particular problem of pharmacophore discovery is isolated, and the Inductive Logic Programming (ILP) system progol is applied to the problem of identifying potential pharmacophores for ACE inhibition. The case study reported in this paper supports four general lessons for machine learning and knowledge discovery, as well as more specific lessons for pharmacophore discovery, for Inductive Logic Programming, and for ACE inhibition. The general lessons for machine learning and knowledge discovery are as follows.1. An initial rediscovery step is a useful tool when approaching a new application domain.2. General machine learning heuristics may fail to match the details of an application domain, but it may be possible to successfully apply a heuristic-based algorithm in spite of the mismatch.3. A complete search for all plausible hypotheses can provide useful information to a user, although experimentation may be required to choose between competing hypotheses.4. A declarative knowledge representation facilitates the development and debugging of background knowledge in collaboration with a domain expert, as well as the communication of final results.
16914350
Biochemical Knowledge Discovery Using Inductive Logic Programming
Machine Learning algorithms are being increasingly used for knowledge discovery tasks. Approaches can be broadly divided by distinguishing discovery of procedural from that of declarative knowledge. Client requirements determine which of these is appropriate. This paper discusses an experimental application of machine learning in an area related to drug design. The bottleneck here is in finding appropriate constraints to reduce the large number of candidate molecules to be synthesised and tested. Such constraints can be viewed as declarative specifications of the structuralel ements necessary for high medicinal activity and low toxicity. The first-order representation used within Inductive Logic Programming (ILP) provides an appropriate description language for such constraints. Within this application area knowledge accreditation requires not only a demonstration of predictive accuracy but also, and crucially, a certification of novel insight into the structuralc hemistry. This paper describes an experiment in which the ILP system Progolw as used to obtain structural constraints associated with mutagenicity of molecules. In doing so Progol found a new indicator of mutagenicity within a subset of previously published data. This subset was already known not to be amenable to statistical regression, though its complement was adequately explained by a linear model. According to the combined accuracy/explanation criterion provided in this paper, on both subsets comparative trials show that Progol's structurally-oriented hypotheses are preferable to those of other machine learning algorithms.
15627466
Testing parallel random number generators
Monte Carlo computations are considered easy to parallelize. However, the results can be adversely affected by defects in the parallel pseudorandom number generator used. A parallel pseudorandom number generator must be tested for two types of correlations--(i) intra-stream correlation, as for any sequential generator, and (ii) inter-stream correlation for correlations between random number streams on different processes. Since bounds on these correlations are difficult to prove mathematically, large and thorough empirical tests are necessary. Many of the popular pseudorandom number generators in use today were tested when computational power was much lower, and hence they were evaluated with much smaller test sizes.This paper describes several tests of pseudorandom number generators, both statistical and application-based. We show defects in several popular generators. We describe the implementation of these tests in the SPRING [ACM Trans. Math. Software 26 (2000) 436; SPRNG--scalable parallel random number generators. SPRNG 1.0--http://www.ncsa.uiuc.edu/ Apps/SPRNG; SPRNG 2.0--http://sprng.cs.fsu.edu] test suite and also present results for the tests conducted on the SPRNG generators. These generators have passed some of the largest empirical random number tests.
14860992
Scalable Time-Parallelization of Molecular Dynamics Simulations in Nano Mechanics
Molecular dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is that the time step size is small, requiring a large number of iterations to simulate realistic time spans. Conventional parallelization is not very effective for this. We recently introduced a new approach to parallelization, where data from related prior simulations are used to parallelize a new computation along the time domain. In our prior work, the size of the physical system in the current simulation needed to be identical to that of the prior simulations. The significance of this paper lies in demonstrating a strategy that enables this approach to be used even when the physical systems differ in size. Furthermore, this method scaled up to almost 1000 processors with close to ideal speedup in one case, where conventional methods scale to only 2-3 processors
18206354
Optimal design of signaling networks for Internet telephony
We present an approach for efficient design of a signaling network for a network of software switches supporting Internet telephony. While one may take an integer programming approach to solve this problem, it quickly becomes intractable even for modest-sized networks. Instead, our topology design uses random graphs that we show to be nearly optimal in cost, highly connected, and computationally efficient even for large networks. We then formulate a quadratic assignment problem (QAP) to map the abstract topology into the physical network to achieve optimal load balancing for given demand forecasts, which we solve using randomized heuristics. Numerical results on several example networks illustrate the performance and computational efficiency of our method. A graphical design tool has been developed based on our algorithms.
887266
Approximation Algorithms for Channel Allocation Problems in Broadcast Networks
We study two packing problems that arise in the area of dissemination-based information systems; a second theme is the study of distributed approximation algorithms. The problems considered have the property that the space occupied by a collection of objects together could be significantly less than the sum of the sizes of the individual objects. In the Channel Allocation Problem, there are users who request subsets of items. There are a fixed number of channels that can carry an arbitrary amount of information. Each user must get all of the requested items from one channel, i.e., all the data items of each request must be broadcast on some channel. The load on any channel is the number of items that are broadcast on that channel; the objective is to minimize the maximum load on any channel. We present approximation algorithms for this problem and also show that the problem is MAX-SNP hard. The second problem is the Edge Partitioning Problem addressed by Goldschmidt, Hochbaum, Levin, and Olinick (Networks, 41:13-23, 2003). Each channel here can deliver information to at most k users, and we aim to minimize the total load on all channels. We present an O(n 1/3 )-approximation algorithm and also show that the algorithm can be made fully distributed with the same approximation guarantee; we also generalize to the case of hypergraphs.
23028632
Mechanism design for intellectual property rights protection
Estimates for the annual size of software piracy are in the region of $15 billion. The problem is also manifest in other forms of intellectual property. The explosive growth of the Internet and other communications networks has accentuated this problem. The new infrastructure has facilitated piracy by effectively reducing the cost of copying to negligible levels. (Recently, the FBI launched an operation called “Cyber Strike,” with the objective of curbing illegal copying and distribution of software over computer networks.) A naive suggestion has been that intellectual property rights (IPR) violation is actually beneficial from the social point of view, since it decreases the monopoly power of the provider. However, the flip side of this argument is that the IPR violations decrease the incentive for innovation because they lead to lower profits. In this paper, several mechanisms for IPR protection are designed. The mechanisms involve two tools: the level of enforcement (i.e., the probability that an IPR violator will be apprehended) and the penalty to be levied on an apprehended IPR violator. These tools are analyzed by considering the tradeoff between social welfare and the provider’s profit. The paper considers a provider who wants to maximize his profit and a policy maker who wants to maximize “net” social welfare (defined as welfare less any costs of enforcement), subject to a target profit for the provider. The consumers choose from among three options: buy, copy, or stay out of the market. A game-theoretic framework is adopted, where the policy maker, the provider, and the consumers get to move in that order. Among the results, the research shows that