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 Scientific Discovery


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.


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. These sensors include the semicircular canals and the otolith organs located in the inner ear as well as vision and somatosensory perception. 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. As designed, MARIKA's goal is to classify the vestibular system of the subject as normal or abnormal and propose a corresponding model. It works iteratively until the results of the proposed experiment can be modeled. Additional experiments can be presented in succession to the same model.


Functional Categorization of Knowledge: Applications in Modeling Scientific Research and Discovery

AI Magazine

The central thesis of my dissertation (Kocabas 1989)1 is that in complex systems, descriptive and definitive knowledge can be organized into functional categories; this categorization provides clarity and efficiency in representation and facilitates the integrated use of various methods of learning. I describe a formalism for organizing knowledge into such functional categories and some of its implementations. In this formalism, descriptive scientific knowledge is classified into seven categories. The categorization formalism allows complex propositions to be analyzed into their simple constituents; in turn, these constituents can be maintained in their categories. They can then be combined using a simple transformation function to form complex constructs such as frames and schemata. The methodology facilitates the implementation of knowledge-level methods of learning such as similarity-based learning, explanation-based learning, and conceptual clustering. It simplifies the identification and resolution of conflicts in knowledge systems.


Machine Discovery of Chemical Reaction Pathways

AI Magazine

A fundamental question in AI is what mechanisms suffice for computer programs to make scientific discoveries. My Ph.D. thesis addresses this question by automating the following scientific task to a significant extent: Given observed data about a particular chemical reaction, discover the underlying set of reaction steps from starting materials to products, that is, elucidate the reaction pathway.