Presentation 2004/11/29
Multiple-Instance Learning Based Heuristics for Mining Chemical Compound Structure(Scientific Data Mining)(Joint Workshop of Vietnamese Society of AI, SIGKBS-JSAI, ICS-IPSJ, and IEICE-SIGAI on Active Mining)
CHOLWICH NATTEE, SUKREE SINTHUPINYO, MASAYUKI NUMAO, TAKASHI OKADA,
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Abstract(in English) Inductive Logic Programming (ILP) is a combination of inductive learning and first-order logic aiming to learn first-order hypotheses from training examples. ILP has a serious bottleneck in an intractably enormous hypothesis search space. This makes existing approaches perform poorly on large-scale real-world datasets. In this research, we propose a technique to make the system handle an enormous search space efficiently by deriving qualitative information into search heuristics. Currently, heuristic functions used in ILP systems are based only on quantitative information, e.g. number of examples covered and length of candidates. We focus on a kind of data consisting of several parts. The approach aims to find hypotheses describing each class by using both individual and relational features of parts. The data can be found in denoting chemical compound structure for Structure-Activity Relationship. Studies (SAR). We apply the proposed method to extract rules describing chemical activity from their structures. The experiments are conducted on a real-world dataset. The results are compared to existing ILP methods using ten-fold cross validation.
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Paper # AI2004-46
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Committee AI
Conference Date 2004/11/29(1days)
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Language ENG
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Title (in English) Multiple-Instance Learning Based Heuristics for Mining Chemical Compound Structure(Scientific Data Mining)(Joint Workshop of Vietnamese Society of AI, SIGKBS-JSAI, ICS-IPSJ, and IEICE-SIGAI on Active Mining)
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1st Author's Name CHOLWICH NATTEE
1st Author's Affiliation The Institute of Scientific and Industrial Research, Osaka,University()
2nd Author's Name SUKREE SINTHUPINYO
2nd Author's Affiliation The Institute of Scientific and Industrial Research, Osaka,University
3rd Author's Name MASAYUKI NUMAO
3rd Author's Affiliation The Institute of Scientific and Industrial Research, Osaka,University
4th Author's Name TAKASHI OKADA
4th Author's Affiliation School of Science and Technology, Kwansei Gakuin University
Date 2004/11/29
Paper # AI2004-46
Volume (vol) vol.104
Number (no) 487
Page pp.pp.-
#Pages 6
Date of Issue