Chien-Cheng Chen, Leuo-hong Wang, Cheng-Yan Kao, M. Ouhyoung, Wen-Chin Chen
The molecular binding problem, one of the most important problems in structure based drug design, can be formulated as a global energy optimization problem by using molecular mechanics. A novel computational algorithm is proposed to address the molecular binding problem. The algorithm is derived from genetic algorithms (GA) plus simulated annealing (SA) hybrid techniques, namely population based annealing genetic algorithms (PAG). We have applied the algorithm to find binding structures for three drug protein molecular pairs. One of the three drugs is an anti cancer drug methotrexate (MTX) and the other two are analogues of the antibacterial drug trimethoprim. Moreover, we have also studied two other well resolved ligand receptor molecular complex which are obtained from the Protein Data Bank (PDB): Thermolysin-HONH-benzylmalonyl-L-Ala-Gly-p-nitroanilide complex (5tln) and HIV-1 protease-Hydroxyethylene isostere inhibitor complex. Hydroxyethylene isostere inhibitor is one of new potential HIV-1 protease inhibitors synthesized. Through our experiments, all of the binding results not only keep the energy at low levels, but also have a promising binding geometrical structure in terms of number of hydrogen bonds formed.
{"title":"Molecular binding in structure-based drug design: a case study of the population-based annealing genetic algorithms","authors":"Chien-Cheng Chen, Leuo-hong Wang, Cheng-Yan Kao, M. Ouhyoung, Wen-Chin Chen","doi":"10.1109/TAI.1998.744861","DOIUrl":"https://doi.org/10.1109/TAI.1998.744861","url":null,"abstract":"The molecular binding problem, one of the most important problems in structure based drug design, can be formulated as a global energy optimization problem by using molecular mechanics. A novel computational algorithm is proposed to address the molecular binding problem. The algorithm is derived from genetic algorithms (GA) plus simulated annealing (SA) hybrid techniques, namely population based annealing genetic algorithms (PAG). We have applied the algorithm to find binding structures for three drug protein molecular pairs. One of the three drugs is an anti cancer drug methotrexate (MTX) and the other two are analogues of the antibacterial drug trimethoprim. Moreover, we have also studied two other well resolved ligand receptor molecular complex which are obtained from the Protein Data Bank (PDB): Thermolysin-HONH-benzylmalonyl-L-Ala-Gly-p-nitroanilide complex (5tln) and HIV-1 protease-Hydroxyethylene isostere inhibitor complex. Hydroxyethylene isostere inhibitor is one of new potential HIV-1 protease inhibitors synthesized. Through our experiments, all of the binding results not only keep the energy at low levels, but also have a promising binding geometrical structure in terms of number of hydrogen bonds formed.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125594788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Discourse analysis plays an important role in natural language understanding. Mandarin Chinese discourse, which has many different properties compared with English discourse, is still far behind in the construction of a basic computational model. We propose an event model to elucidate anaphora and ellipsis in Mandarin Chinese. An event based approach (EBA) based on the model is designed to resolve anaphora and ellipsis in Mandarin Chinese discourse. In this approach, we provide an event based partial parser and an event based reasoning mechanism. This approach is applied to the mathematics word problems of elementary school (MWES). Our results provide empirical evidence that the EBA can resolve many difficult problems in Mandarin Chinese discourse.
{"title":"Empirical study of Mandarin Chinese discourse analysis: an event-based approach","authors":"Yuan-Kai Wang, Yi-Shiou Chen, W. Hsu","doi":"10.1109/TAI.1998.744887","DOIUrl":"https://doi.org/10.1109/TAI.1998.744887","url":null,"abstract":"Discourse analysis plays an important role in natural language understanding. Mandarin Chinese discourse, which has many different properties compared with English discourse, is still far behind in the construction of a basic computational model. We propose an event model to elucidate anaphora and ellipsis in Mandarin Chinese. An event based approach (EBA) based on the model is designed to resolve anaphora and ellipsis in Mandarin Chinese discourse. In this approach, we provide an event based partial parser and an event based reasoning mechanism. This approach is applied to the mathematics word problems of elementary school (MWES). Our results provide empirical evidence that the EBA can resolve many difficult problems in Mandarin Chinese discourse.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121940468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The explosion of the World Wide Web as a global information network brings with it a number of related challenges for information retrieval and automation. The link structure, which is the main feature of the hypermedia environment, can be a rich source of information for exploration. This paper is centered around the exploitation of hyperlinks in the subject of automatic discovery. The paper discusses the design of site traversal algorithms and identifies some important parameters for hyperlink-based information discovery on the Web. Meanwhile, it proposes a new evaluation method, the search depth, for comparing various hyperlink traversal algorithms.
{"title":"Exploiting hyperlinks for automatic information discovery on the WWW","authors":"Chia-Hui Chang, Ching-Chi Hsu, Cheng-Lin Hou","doi":"10.1109/TAI.1998.744835","DOIUrl":"https://doi.org/10.1109/TAI.1998.744835","url":null,"abstract":"The explosion of the World Wide Web as a global information network brings with it a number of related challenges for information retrieval and automation. The link structure, which is the main feature of the hypermedia environment, can be a rich source of information for exploration. This paper is centered around the exploitation of hyperlinks in the subject of automatic discovery. The paper discusses the design of site traversal algorithms and identifies some important parameters for hyperlink-based information discovery on the Web. Meanwhile, it proposes a new evaluation method, the search depth, for comparing various hyperlink traversal algorithms.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"88 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116013915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We present a game theoretic coordination mechanism in a multi agent community. We assume that all the agents are rational and have the ability to communicate with each other. In our approach, agents are treated as players in a noncooperative game defined in conventional game theory. In order to make the agents behave coordinately and to avoid an undesirable state, such as Prisoners' dilemma, we introduce a trusted third party into the conventional two-player game theory. The mechanism changes the equilibrium states by altering the payoff of the game. We show how agents are able to recognize undesirable states by reasoning on a 2 by 2 payoff matrix and find a way out by communicating with a trusted third party. A communication protocol among agents and the trusted third party is constructed to achieve a negotiation for coordination.
{"title":"Escape from a prisoners' dilemma by communication with a trusted third party","authors":"Shih-Hung Wu, V. Soo","doi":"10.1109/TAI.1998.744767","DOIUrl":"https://doi.org/10.1109/TAI.1998.744767","url":null,"abstract":"We present a game theoretic coordination mechanism in a multi agent community. We assume that all the agents are rational and have the ability to communicate with each other. In our approach, agents are treated as players in a noncooperative game defined in conventional game theory. In order to make the agents behave coordinately and to avoid an undesirable state, such as Prisoners' dilemma, we introduce a trusted third party into the conventional two-player game theory. The mechanism changes the equilibrium states by altering the payoff of the game. We show how agents are able to recognize undesirable states by reasoning on a 2 by 2 payoff matrix and find a way out by communicating with a trusted third party. A communication protocol among agents and the trusted third party is constructed to achieve a negotiation for coordination.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"76 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134559743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The task of diagnosis, a typical abductive problem, as to find a hypothesis that best explains a set of observations. Generally, a neural network diagnostic reasoning model finds only one hypothesis to a set of observations. It is computationally expensive to find the hypothesis because the number of the potential hypotheses is exponentially large. Recently, we have proposed a connectionist diagnosis model to overcome the above difficulty. In this paper, we propose a method to improve the efficiency and the practicality of the model. The improved model can find more solutions, and the efficiency of the model is also improved.
{"title":"An efficient and practical diagnosis model","authors":"Yue Xu, Chengqi Zhang","doi":"10.1109/TAI.1998.744866","DOIUrl":"https://doi.org/10.1109/TAI.1998.744866","url":null,"abstract":"The task of diagnosis, a typical abductive problem, as to find a hypothesis that best explains a set of observations. Generally, a neural network diagnostic reasoning model finds only one hypothesis to a set of observations. It is computationally expensive to find the hypothesis because the number of the potential hypotheses is exponentially large. Recently, we have proposed a connectionist diagnosis model to overcome the above difficulty. In this paper, we propose a method to improve the efficiency and the practicality of the model. The improved model can find more solutions, and the efficiency of the model is also improved.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"74 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133840687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The paper proposes a new feature vector which is characterized by a density of 2D overcomplete wavelet transform extrema estimated at the output of the corresponding filter bank and forms a feature vector for clustering. We formulated the texture segmentation problem as a combinatorial optimization. The good texture discrimination ability of the feature is demonstrated with the three-category texture image via a modified tabu search approach. According to the proposed schedule, the trial solution in this search uses the centroid of the cluster as a string and has been performed to make the objective function better in the hope that it eventually will achieve a better solution. A quantitative calculation of the accuracy of our segmentation results is presented.
{"title":"A modified tabu search approach for texture segmentation using 2-D non-separable wavelet frames","authors":"J.-S. Pan, Jing-Wein Wang, C. H. Chen, H. Fang","doi":"10.1109/TAI.1998.744888","DOIUrl":"https://doi.org/10.1109/TAI.1998.744888","url":null,"abstract":"The paper proposes a new feature vector which is characterized by a density of 2D overcomplete wavelet transform extrema estimated at the output of the corresponding filter bank and forms a feature vector for clustering. We formulated the texture segmentation problem as a combinatorial optimization. The good texture discrimination ability of the feature is demonstrated with the three-category texture image via a modified tabu search approach. According to the proposed schedule, the trial solution in this search uses the centroid of the cluster as a string and has been performed to make the objective function better in the hope that it eventually will achieve a better solution. A quantitative calculation of the accuracy of our segmentation results is presented.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"13 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124048448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The current search tools for retrieving information on the WWW are not suitable for building customized information repositories because these search tools are designed for general users with the result of only an unstructured collection of documents. We present a personal digital library capable of efficiently retrieving information on the World Wide Web. We adopt several new strategies to overcome the shortcomings of current tools. The first strategy, classification, merges and organizes the retrieved documents to put them in a structural hierarchical frame. The second strategy, user profile, saves time and bandwidth for the access of the documents and permits the users to build their own customized category structure. The third strategy, multi-search, capitalizes on the power of multiple search engines to broaden the domains of information sources and alleviate the overloading of a single search engine. Furthermore we derive in detail the techniques for speeding up the iterative process of clustering.
{"title":"Constructing personal digital library by multi-search and customized category","authors":"Ching-Chi Hsu, Fan-Chen Tseng, Jiming Chen, Chui-Hung Chang","doi":"10.1109/TAI.1998.744831","DOIUrl":"https://doi.org/10.1109/TAI.1998.744831","url":null,"abstract":"The current search tools for retrieving information on the WWW are not suitable for building customized information repositories because these search tools are designed for general users with the result of only an unstructured collection of documents. We present a personal digital library capable of efficiently retrieving information on the World Wide Web. We adopt several new strategies to overcome the shortcomings of current tools. The first strategy, classification, merges and organizes the retrieved documents to put them in a structural hierarchical frame. The second strategy, user profile, saves time and bandwidth for the access of the documents and permits the users to build their own customized category structure. The third strategy, multi-search, capitalizes on the power of multiple search engines to broaden the domains of information sources and alleviate the overloading of a single search engine. Furthermore we derive in detail the techniques for speeding up the iterative process of clustering.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"104 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128047379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This work is at the boundary between knowledge representation and application design. We want to define a method to design an object schema from examples. We had to improve clustering algorithms used in knowledge representation (they build a hierarchy of classes from examples), so that they can manage additional problems encountered in application design. We have carried out four main improvements. First, to take semantics into account, we have built a thesaurus. Second, we must take into account not only attributes, but also methods. We must manage these methods while comparing examples and classes and while merging and extending classes. Third we induce multiple inheritance, which is necessary for real world applications. Fourth, in the case of multi-expertise (the examples are given by several users), we build a schema for each user, because we consider each user to have her/his own perspective. These schemata are then merged using an integration method. Our method is a tool based on knowledge representation that helps application design.
{"title":"A tool based on concepts used in knowledge representation, to facilitate application design","authors":"J.-L. Segapeli, A. Cavarero","doi":"10.1109/TAI.1998.744867","DOIUrl":"https://doi.org/10.1109/TAI.1998.744867","url":null,"abstract":"This work is at the boundary between knowledge representation and application design. We want to define a method to design an object schema from examples. We had to improve clustering algorithms used in knowledge representation (they build a hierarchy of classes from examples), so that they can manage additional problems encountered in application design. We have carried out four main improvements. First, to take semantics into account, we have built a thesaurus. Second, we must take into account not only attributes, but also methods. We must manage these methods while comparing examples and classes and while merging and extending classes. Third we induce multiple inheritance, which is necessary for real world applications. Fourth, in the case of multi-expertise (the examples are given by several users), we build a schema for each user, because we consider each user to have her/his own perspective. These schemata are then merged using an integration method. Our method is a tool based on knowledge representation that helps application design.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"108 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127956306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
An adaptive controller composed of several independent self tuning neurons for multivariable dynamic systems is developed. Unlike traditional fully connected neural network, there are no synaptic connections among the independent neurons in our proposed controller. Each self tuning neuron can be regarded as an independent adaptive controller. It eases the hardware implementation due to the simplicity of our proposed neuron controller. Two case studies are provided to demonstrate the use of the proposed controller where the system dynamics is fully known or only partially known.
{"title":"Adaptive control of multivariable dynamic systems using independent self-tuning neurons","authors":"W. Chang, R. Hwang, J. Hsieh","doi":"10.1109/TAI.1998.744771","DOIUrl":"https://doi.org/10.1109/TAI.1998.744771","url":null,"abstract":"An adaptive controller composed of several independent self tuning neurons for multivariable dynamic systems is developed. Unlike traditional fully connected neural network, there are no synaptic connections among the independent neurons in our proposed controller. Each self tuning neuron can be regarded as an independent adaptive controller. It eases the hardware implementation due to the simplicity of our proposed neuron controller. Two case studies are provided to demonstrate the use of the proposed controller where the system dynamics is fully known or only partially known.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"43 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124398976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this paper we present two state aggregation methods used to build stochastic plans, modelling our environment with Markov decision processes. Classical methods used to compute stochastic plans are highly intractable for problems necessitating a large number of states, such as our robotics application. The use of aggregation techniques allows to reduce the number of states and our methods give nearly optimal plans in a significantly reduced time.
{"title":"State aggregation for solving Markov decision problems an application to mobile robotics","authors":"Pierre Laroche, F. Charpillet","doi":"10.1109/TAI.1998.744868","DOIUrl":"https://doi.org/10.1109/TAI.1998.744868","url":null,"abstract":"In this paper we present two state aggregation methods used to build stochastic plans, modelling our environment with Markov decision processes. Classical methods used to compute stochastic plans are highly intractable for problems necessitating a large number of states, such as our robotics application. The use of aggregation techniques allows to reduce the number of states and our methods give nearly optimal plans in a significantly reduced time.","PeriodicalId":424568,"journal":{"name":"Proceedings Tenth IEEE International Conference on Tools with Artificial Intelligence (Cat. No.98CH36294)","volume":"75 6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1998-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132105461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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