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 Scientific Discovery


Multiple Hypothesis Testing in Pattern Discovery

arXiv.org Machine Learning

The problem of multiple hypothesis testing arises when there are more than one hypothesis to be tested simultaneously for statistical significance. This is a very common situation in many data mining applications. For instance, assessing simultaneously the significance of all frequent itemsets of a single dataset entails a host of hypothesis, one for each itemset. A multiple hypothesis testing method is needed to control the number of false positives (Type I error). Our contribution in this paper is to extend the multiple hypothesis framework to be used with a generic data mining algorithm. We provide a method that provably controls the family-wise error rate (FWER, the probability of at least one false positive) in the strong sense. We evaluate the performance of our solution on both real and generated data. The results show that our method controls the FWER while maintaining the power of the test.


Evaluating Abductive Hypotheses using an EM Algorithm on BDDs

AAAI Conferences

Abductive inference is an important AI reasoning technique to find explanations of observations, and has recently been applied to scientific discovery.  To find best hypotheses among many logically possible hypotheses, we need to evaluate hypotheses obtained from the process of hypothesis generation.  We propose an abductive inference architecture combined with an EM algorithm working on binary decision diagrams (BDDs).  This work opens a way of applying BDDs to compress multiple hypotheses and to select most probable ones from them.  An implemented system has been applied to inference of inhibition in metabolic pathways in the domain of systems biology.


Simultaneous Discovery of Conservation Laws and Hidden Particles With Smith Matrix Decomposition

AAAI Conferences

Particle physics experiments, like the Large Hadron Collider in Geneva, can generate thousands of data points listing detected particle reactions. An important learning task is to analyze the reaction data for evidence of conserved quantities and hidden particles. This task involves latent structure in two ways: first, hypothesizing hidden quantities whose conservation determines which reactions occur, and second, hypothesizing the presence of hidden particles. We model this problem in the classic linear algebra framework of automated scientific discovery due to Valdes-Perez, Zytkow and Simon, where both reaction data and conservation laws are represented as matrices. We introduce a new criterion for selecting a matrix model for reaction data: find hidden particles and conserved quantities that rule out as many interactions among the nonhidden particles as possible. A polynomial-time algorithm for optimizing this criterion is based on the new theorem that hidden particles are required if and only if the Smith Normal Form of the reaction matrix R contains entries other than 0 or 1. To our knowledge this is the first application of Smith matrix decomposition to a problem in AI. Using data from particle accelerators, we compare our algorithm to the main model of particles in physics, known as the Standard Model: our algorithm discovers conservation laws that are equivalent to those in the Standard Model, and indicates the presence of a  hidden particle (the electron antineutrino) in accordance with the Standard Model.


Sequential Hypothesis Testing under Stochastic Deadlines

Neural Information Processing Systems

Most models of decision-making in neuroscience assume an infinite horizon, which yields an optimal solution that integrates evidence up to a fixed decision threshold; however, under most experimental as well as naturalistic behavioral settings, the decision has to be made before some finite deadline, which is often experienced as a stochastic quantity, either due to variable external constraints or internal timing uncertainty. In this work, we formulate this problem as sequential hypothesis testing under a stochastic horizon. We use dynamic programming tools to show that, for a large class of deadline distributions, the Bayes-optimal solution requires integrating evidence up to a threshold that declines monotonically over time. We use numerical simulations to illustrate the optimal policy in the special cases of a fixed deadline and one that is drawn from a gamma distribution.


Sequential Hypothesis Testing under Stochastic Deadlines

Neural Information Processing Systems

Most models of decision-making in neuroscience assume an infinite horizon, which yields an optimal solution that integrates evidence up to a fixed decision threshold; however, under most experimental as well as naturalistic behavioral settings, the decision has to be made before some finite deadline, which is often experienced as a stochastic quantity, either due to variable external constraints or internal timing uncertainty. In this work, we formulate this problem as sequential hypothesis testing under a stochastic horizon. We use dynamic programming tools to show that, for a large class of deadline distributions, the Bayes-optimal solution requires integrating evidence up to a threshold that declines monotonically over time. We use numerical simulations to illustrate the optimal policy in the special cases of a fixed deadline and one that is drawn from a gamma distribution.


Sequential Hypothesis Testing under Stochastic Deadlines

Neural Information Processing Systems

Most models of decision-making in neuroscience assume an infinite horizon, which yields an optimal solution that integrates evidence up to a fixed decision threshold; however, under most experimental as well as naturalistic behavioral settings, the decision has to be made before some finite deadline, which is often experienced as a stochastic quantity, either due to variable external constraints or internal timing uncertainty. In this work, we formulate this problem as sequential hypothesis testing under a stochastic horizon. We use dynamic programming tools to show that, for a large class of deadline distributions, the Bayes-optimal solution requires integrating evidence up to a threshold that declines monotonically over time. We use numerical simulations to illustrate the optimal policy in the special cases of a fixed deadline and one that is drawn from a gamma distribution.


Toward Automated Discovery in the Biological Sciences

AI Magazine

Knowledge discovery programs in the biological sciences require flexibility in the use of symbolic data and semantic information. Because of the volume of nonnumeric, as well as numeric, data, the programs must be able to explore a large space of possibly interesting relationships to discover those that are novel and interesting. Thus, the framework for the discovery program must facilitate proposing and selecting the next task to perform and performing the selected tasks. The framework we describe, called the agenda- and justificationbased framework, has several properties that are desirable in semiautonomous discovery systems: It provides a mechanism for estimating the plausibility of tasks, it uses heuristics to propose and perform tasks, and it facilitates the encoding of general discovery strategies and the use of background knowledge. We have implemented the framework and our heuristics in a prototype program, HAMB, and have evaluated them in the domain of protein crystallization. Our results demonstrate that both reasons given for performing tasks and estimates of the interestingness of the concepts and hypotheses examined by HAMB contribute to its performance and that the program can discover novel, interesting relationships in biological data.


Creativity at the Metalevel: AAAI-2000 Presidential Address

AI Magazine

Creativity is sometimes taken to be an inexplicable aspect of human activity. By summarizing a considerable body of literature on creativity, I hope to show how to turn some of the best ideas about creativity into programs that are demonstrably more creative than any we have seen to date. I believe the key to building more creative programs is to give them the ability to reflect on and modify their own frameworks and criteria. That is, I believe that the key to creativity is at the metalevel.


The 1995 AAAI Spring Symposia Reports

AI Magazine

The Association for the Advancement of Artificial Intelligence held its 1995 Spring Symposium Series on March 27 to 29 at Stanford University. This article contains summaries of the nine symposia that were conducted: (1) Empirical Methods in Discourse Interpretation and Generation; (2) Extending Theories of Action: Formal Theory and Practical Applications; (3) Information Gathering from Heterogeneous, Distributed Environments; (4) Integrated Planning Applications; (5) Interactive Story Systems: Plot and Character; (6) Lessons Learned from Implemented Software Architectures for Physical Agents; (7) Representation and Acquisition of Lexical Knowledge: Polysemy, Ambiguity, and Generativity; (8) Representing Mental States and Mechanisms; and (9) Systematic Methods of Scientific Discovery.


Model-Based Scientific Discovery: A Study in Space Bioengineering

AI Magazine

The human orientation system is a complex system in which the brain merges information from a variety of sensors to help maintain a coherent interpretation of body position and movement. I designed a model of this system based on the observer theory model (OTM), which was developed by Merfeld (1990) for the orientation system of the squirrel monkey. Under this scheme, the central nervous system has an internal representation of the sensor organs and tries to minimize the error between its estimate of the sensory afferent signals and the actual afferent signals. It works iteratively until the results of the proposed experiment can be modeled.