Chart-ahead method for decision tree construction
AssigneeAccelrys Software Inc.
InventorThomas P. Stockfisch
Life of this patent
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AssigneeAccelrys Software Inc.
InventorThomas P. Stockfisch
Estimating the term…
Systems and methods are described for forming a decision tree by considering multiple possible alternative tests or thresholds as well as the possible alternative branches from each test or threshold. This method of making decision trees may be referred to as “look-ahead” or “chart-ahead” recursive partitioning because tests or thresholds can be selected not only for their own ability to divide items into different classes, but also for the ability of future tests or thresholds, enabled by the present tests or thresholds, to further divide items into classes. In preferred embodiments, the method of making the decision tree includes generating clusters of items having similar descriptors and properties, and then evaluating various tests or thresholds for their ability to isolate clusters. Also disclosed are methods of using such decision trees, particularly for the purpose of predicting the unknown properties of molecules.
A method of forming a decision tree that comprises a hierarchical set of nodes and that predicts properties of interest of physical items by testing characteristics of physical items against defined thresholds at each of a series of nodes of said hierarchy, said physical items having two or more known characteristics and at least one unknown property of interest, said method comprising defining tests or thresholds for a series of two or more nodes in said hierarchy by determining the total combined predictive accuracy of said series of nodes under a plurality of alternative test or threshold definitions for at least one of the nodes in said series.
A method of forming a decision tree, said decision tree operating to provide predictions of at least one attribute of interest of a physical item, wherein the physical item has one or more measured or computed descriptors representative of one or more physical characteristics of the physical item, and wherein the physical item has one or more unknown attributes of interest which have not been physically measured or otherwise previously determined, the decision tree comprising two or more nodes in a hierarchical structure, wherein each node is defined by a test based on one or more of the physical items' descriptors, wherein the result of the test at a node operates to classify the physical item into one of two or more classes, and wherein the classification made at any given node determines the identity of a node lower in the hierarchy which is next applied to the physical item until a final node in the hierarchy is reached, and wherein the classification made by the final node comprises a prediction of the behavior of the physical item with respect to the unknown attribute of interest, the method of forming the decision tree comprising:
A method of forming a super tree, said super tree representing a plurality of decision trees, each decision tree operating to provide prediction of at least one property of interest of a physical item, wherein the physical item has one or more measured or computed descriptors representative of one or more physical characteristics of the physical item and one or more physical properties of interest, and wherein said super tree comprises a plurality of nodes in a hierarchical structure, said plurality of nodes defined by at least one test based on at least one of said one or more physical characteristics, at least one of said plurality of nodes comprising a plurality of alternative tests such that each alternative test results in an alternative decision tree, the method comprising:
A method of pruning a decision super tree comprising discarding all but one alternative test at each node to produce one or more decision trees.
A method of clustering a set of items, the set of items having a plurality of numeric physical descriptors and one or more physical properties, at least one of the properties being characterized by a non-numeric value, the method comprising:
A method of forming a decision tree, said decision tree operating to provide predictions of the behavior of a physical item with respect to at least one attribute of interest, wherein the physical item has one or more measured or computed descriptors representative of one or more characteristics of the physical item, and wherein the physical item exhibits unknown behavior with respect to at least one attribute of interest, the decision tree comprising two or more nodes in a hierarchical structure, wherein each node is defined by a test based on one or more of the physical items' descriptors, wherein the result of the test at a given node operates to categorize the physical item into one of a plurality of categories, and wherein the categorization made at any given node determines the identity of a node lower in the hierarchy which is next applied to the physical item until an end node of the hierarchy is reached, and wherein the classification made by said end node comprises a prediction of the behavior of the physical item with respect to the unknown attribute of interest, the method of forming the decision tree comprising:
A computer implemented system for constructing decision trees for predicting the behavior of a physical item with respect to an attribute of interest, said system comprising:
Dependencies are inferred from the claim text.