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US6453246B1 Expired / Lapsed US ⏱️ 0.0 years remaining

System, method, and computer program product for representing proximity data in a multi-dimensional space

Assignee: 3 Dimensional Pharmaceuticals Inc
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Filing: 1998-05-07
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Granted: 2002-09-17
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Expires: 2018-05-07
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Abstract

Abstract A system, method and computer program product for representing precise or imprecise measurements of similarity/dissimilarity (relationships) between objects as distances between points in a multi-dimensional space that represents the objects. Self-organizing principles are used to iteratively refine an initial (random or partially ordered) configuration of points using stochastic relationship/distance errors. The data can be complete or incomplete (i.e. some relationships between objects may not be known), exact or inexact (i.e. some or all of the relationships may be given in terms of allowed ranges or limits), symmetric or asymmetric (i.e. the relationship of object A to object B may not be the same as the relationship of B to A) and may contain systematic or stochastic errors. The relationships between objects may be derived directly from observation, measurement, a priori knowledge, or intuition, or may be determined indirectly using any suitable technique for deriving proximity (relationship) data.

Inventors

  • 👤 Dimitris K. Agrafiotis
  • 👤 Victor S. Labanov
  • 👤 Francis R. Salemme

Bibliographic Details

Application Number —
Jurisdiction US
Data Source google_patents
Last Synchronized 2026-10-24 15:57
CPC Classifications
G; G06; G06T; G06T11/00; G06T11/20; G06T7/00; G06T7/60; G06T7/62; G06F; G06F18/00; G06F18/20; G06F18/21; G06F18/213; G06F18/2137; B; B01; B01J; B01J2219/00; B01J2219/00274; B01J2219/0068; B01J2219/00686; B01J2219/00689; B01J2219/007; C; C40; C40B; C40B40/00; G16; G16C; G16C20/00; G16C20/70; G16C20/80

Claims Analysis

Total Claims: 56
Claim 1
Independent Claim 137 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with bounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (3) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance, only when the at least one distance falls outside a set of allowable ranges of relationship values; (4) repeating steps (2) and (3) for additional sub-sets of objects from the set of objects; and (5) generating mapping coordinates for the set of objects.
Claim 2
Dependent Claim 137 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with bounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (3) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance, only when the at least one distance falls outside a set of allowable ranges of relationship values; (4) repeating steps (2) and (3) for additional sub-sets of objects from the set of objects; and (5) generating mapping coordinates for the set of objects.
Claim 3
Dependent Claim 24 words
The method according to claim 1 , wherein step (2) comprises the step of: selecting a pair of objects having an associated pair-wise relationship.
Claim 4
Dependent Claim 72 words
The method according to claim 1 , wherein the associated pair-wise relationships between one or more pairs of objects are unknown, the method further comprising the steps of: performing steps (2) through (4) only for pairs of objects for which an associated pair-wise relationship is known; and allowing distances between objects on the display map for which associated pair-wise relationships are not known to adapt during performance of steps (2) through (4).
Claim 5
Dependent Claim 25 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate.
Claim 6
Dependent Claim 26 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance based on a fixed learning rate.
Claim 7
Dependent Claim 26 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance based on a variable learning rate.
Claim 8
Dependent Claim 39 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of the associated pair-wise relationship between the pair of objects.
Claim 9
Dependent Claim 39 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of at least one object of the pair of objects.
Claim 10
Dependent Claim 35 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of the selected pair of objects.
Claim 11
Dependent Claim 26 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance using a conventional multi-dimensional scaling technique.
Claim 12
Dependent Claim 26 words
The method according to claim 1 , wherein step (3) comprises the step of: revising the at least one distance using a conventional non-linear mapping technique.
Claim 13
Dependent Claim 35 words
The method according to claim 1 , wherein step (3) comprises the steps of: computing an error function value using a conventional technique; and revising the at least one distance using a gradient descent procedure.
Claim 14
Dependent Claim 16 words
The method according to claim 1 , wherein that the objects do not represent chemical objects.
Claim 15
Dependent Claim 136 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with bounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (3) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance, only when the at least one distance falls above an upper limit of allowable relationship values; (4) repeating steps (2) and (3) for additional sub-sets of objects from the set of objects; and (5) generating mapping coordinates for the set of objects.
Claim 16
Dependent Claim 136 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with bounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (3) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance, only when the at least one distance falls above an upper limit of allowable relationship values; (4) repeating steps (2) and (3) for additional sub-sets of objects from the set of objects; and (5) generating mapping coordinates for the set of objects.
Claim 17
Dependent Claim 24 words
The method according to claim 14 , wherein step (2) comprises the step of: selecting a pair of objects having an associated pair-wise relationship.
Claim 18
Dependent Claim 72 words
The method according to claim 14 , wherein the associated pair-wise relationships between one or more pairs of objects are unknown, the method further comprising the steps of: performing steps (2) through (4) only for pairs of objects for which an associated pair-wise relationship is known; and allowing distances between objects on the display map for which associated pair-wise relationships are not known to adapt during performance of steps (2) through (4).
Claim 19
Dependent Claim 25 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate.
Claim 20
Dependent Claim 26 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance based on a fixed learning rate.
Claim 21
Dependent Claim 26 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance based on a variable learning rate.
Claim 22
Dependent Claim 39 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of the associated pair-wise relationship between the pair of objects.
Claim 23
Dependent Claim 39 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of at least one object of the pair of objects.
Claim 24
Dependent Claim 35 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of the selected pair of objects.
Claim 25
Dependent Claim 26 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance using a conventional multi-dimensional scaling technique.
Claim 26
Dependent Claim 26 words
The method according to claim 14 , wherein step (3) comprises the step of: revising the at least one distance using a conventional non-linear mapping technique.
Claim 27
Dependent Claim 35 words
The method according to claim 14 , wherein step (3) comprises the steps of: computing an error function value using a conventional technique; and revising the at least one distance using a gradient descent procedure.
Claim 28
Dependent Claim 16 words
The method according to claim 14 , wherein that the objects do not represent chemical objects.
Claim 29
Dependent Claim 136 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with bounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (3) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance, only when the at least one distance falls below a lower limit of allowable relationship values; (4) repeating steps (2) and (3) for additional sub-sets of objects from the set of objects; and (5) generating mapping coordinates for the set of objects.
Claim 30
Dependent Claim 136 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with bounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (3) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance, only when the at least one distance falls below a lower limit of allowable relationship values; (4) repeating steps (2) and (3) for additional sub-sets of objects from the set of objects; and (5) generating mapping coordinates for the set of objects.
Claim 31
Dependent Claim 24 words
The method according to claim 27 , wherein step (2) comprises the step of: selecting a pair of objects having an associated pair-wise relationship.
Claim 32
Dependent Claim 72 words
The method according to claim 27 , wherein the associated pair-wise relationships between one or more pairs of objects are unknown, the method further comprising the steps of: performing steps (2) through (4) only for pairs of objects for which an associated pair-wise relationship is known; and allowing distances between objects on the display map for which associated pair-wise relationships are not known to adapt during performance of steps (2) through (4).
Claim 33
Dependent Claim 25 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate.
Claim 34
Dependent Claim 26 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance based on a fixed learning rate.
Claim 35
Dependent Claim 26 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance based on a variable learning rate.
Claim 36
Dependent Claim 39 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of the associated pair-wise relationship between the pair of objects.
Claim 37
Dependent Claim 39 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of at least one object of the pair of objects.
Claim 38
Dependent Claim 35 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance based on a learning rate that is a function of the selected pair of objects.
Claim 39
Dependent Claim 26 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance using a conventional multi-dimensional scaling technique.
Claim 40
Dependent Claim 26 words
The method according to claim 27 , wherein step (3) comprises the step of: revising the at least one distance using a conventional non-linear mapping technique.
Claim 41
Dependent Claim 35 words
The method according to claim 27 , wherein step (3) comprises the steps of: computing an error function value using a conventional technique; and revising the at least one distance using a gradient descent procedure.
Claim 42
Dependent Claim 16 words
The method according to claim 27 , wherein that the objects do not represent chemical objects.
Claim 43
Dependent Claim 176 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with unbounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) identifying at least one pair of objects for which an associated pair-wise relationship contains an unbounded uncertainty; (3) removing the associated pair-wise relationships with the unbounded uncertainties identified in step (2); (4) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (5) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance; (6) repeating steps (4) and (5) for additional sub-sets of objects from the set of objects; (7) allowing distances between the objects for which the associated pair-wise relationships have been removed to adapt during performance of steps (4) through (6); and (8) generating mapping coordinates for the set of objects.
Claim 44
Dependent Claim 176 words
A computerized method for generating mapping coordinates, wherein one or more pairs of objects are related by associated pair-wise relationships with unbounded uncertainties, the method comprising the steps of: (1) placing a set of objects on a display map; (2) identifying at least one pair of objects for which an associated pair-wise relationship contains an unbounded uncertainty; (3) removing the associated pair-wise relationships with the unbounded uncertainties identified in step (2); (4) selecting a sub-set of objects from the set of objects, wherein the sub-set of objects includes at least one associated relationship between the objects in the sub-set; (5) revising at least one distance between the objects on the display map based on the at least one associated relationship and the at least one distance; (6) repeating steps (4) and (5) for additional sub-sets of objects from the set of objects; (7) allowing distances between the objects for which the associated pair-wise relationships have been removed to adapt during performance of steps (4) through (6); and (8) generating mapping coordinates for the set of objects.
Claim 45
Dependent Claim 24 words
The method according to claim 40 , wherein step (4) comprises the step of: selecting a pair of objects having an associated pair-wise relationship.
Claim 46
Dependent Claim 72 words
The method according to claim 40 , wherein the associated pair-wise relationships between one or more pairs of objects are unknown, the method further comprising the steps of: performing steps (4) through (6) only for pairs of objects for which an associated pair-wise relationship is known; and allowing distances between objects on the display map for which associated pair-wise relationships are not known to adapt during performance of steps (4) through (6).
Claim 47
Dependent Claim 25 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance based on a learning rate.
Claim 48
Dependent Claim 26 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance based on a fixed learning rate.
Claim 49
Dependent Claim 26 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance based on a variable learning rate.
Claim 50
Dependent Claim 39 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance based on a learning rate that is a function of the associated pair-wise relationship between the pair of objects.
Claim 51
Dependent Claim 39 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance based on a learning rate that is a function of at least one object of the pair of objects.
Claim 52
Dependent Claim 35 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance based on a learning rate that is a function of the selected pair of objects.
Claim 53
Dependent Claim 26 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance using a conventional multi-dimensional scaling technique.
Claim 54
Dependent Claim 26 words
The method according to claim 40 , wherein step (5) comprises the step of: revising the at least one distance using a conventional non-linear mapping technique.
Claim 55
Dependent Claim 35 words
The method according to claim 40 , wherein step (5) comprises the steps of: computing an error function value using a conventional technique; and revising the at least one distance using a gradient descent procedure.
Claim 56
Dependent Claim 16 words
The method according to claim 40 , wherein that the objects do not represent chemical objects.

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3.5 Years (Year 4) 2005-09-16 2006-03-18 2006-09-17 $2000.00 Window Closed / Lapsed
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