PolyAnalyst. A MACHINE DISCOVERY SYSTEM INFEJ RING FUNCTIONAL

From: AAAI Technical Report WS-94-03. Compilation copyright © 1994, AAAI (www.aaai.org). All rights reserved.
PolyAnalyst. A MACHINEDISCOVERYSYSTEM
INFEJ RING FUNCTIONALPROGRAMS.
Mikhail V.Kiselev
ComputerPatient Monitoring Laboratory at National Research Center of
Surgery, per.Abrikosovski, 2, Moscow119874, RUSSIA
e-maiL"geography@glas,
ape. org
ABSTRACT
The present paper describes the learning technique used in
PolyAnalyst- the systemof machinediscoveryand intelligent analysis
of the experimental/observationaldatawhichhas been created in the
Computer
Patient
Monitoring
Laboratoryat
theNational
Research
Center
ofSurgery.
Po!yAnalyst
Is a multi-purpose
system
designed
to
solve
thefollowing
classes
ofproblems:
I)construction
ofa procedure
realiT.ingthe mapping
fromthe set of desCriptions
to the set of parameters
given by the pairs <description, parameter>; 2) search for the
interdependencesbetweencomponenm
of the description; 3) search for
characteristicfeaturesof agivenset of descriptions.Herethe description
¯ meansa single experimental/observational
data recordandit is assumed
that all the recordsin the sameset of observations
havethe samestructure.
Thepeperis devotedmainlyto P01yAnalyst’s
application to the ~rpe1
problems,This type includes classification, empirical lawinference,
choiceof the best decisionfroma fixed set of possibledecisions, and
other tasks. To solve a problemPoIyAnalystconstructs and tests
programs
ona simple
functional
programming:language
whose
inputs
are
thedescriptions
andoutputs
arethecorresponding
parameter
values.
While
searching
forthe
solutionPolyAnalyst
combines
fullsearch,
heuristicalsearch,
anddirect
cons~’uction
oftheprograms.
Since
thefirst
version
of PolyAnalyst
wascreated
it hassolved
a number
of real
problems
from
chemistry,
medicine,
geophysics,
andagricultural
science.
Oneexample
is givenin the paper- the predictionof the elasticity of the
polyethylenesamplesfromtheir infra-red spectrums.
KEYWORDS:
machinediscovery, automated knowledgeacquisition.
1. Introduction
Since 60s whenmachinelearning began existing as a science the great
diversity of methodsand systems has been proposed varying in the form of
training examples, the degree of autonomy,the use of existing formalized
knowledgeabout application domain, the form of learned information, and
other features. However
the "density" of research is not the sameover all the
rangeof the machinelearning tasks. In particular this density is still lowin the
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fields where the problems of recognition of the complex multi-factor
interdependencesin the bodies of the experimental/observationaldata should
be solved under condition of sparse or absent model knowledgeand under
¯ minimumguidance
from a human.It is especially true for the cases, whenthe
structural properties are important and. the possibility to performdesired
experimentsis limited. Themaindifficulty of these problemsis determinedby
the fact that since the type of sought dependenceis not knowna priori the
solution has to be sought in the space of proceduresrealizing various dependences.In this situation the possibility to constructthe solutiondirectly is limited,
therefore the search in very wide spaces should be used. Althoughon the other
hand the search in the se~ of procedurescan be combinedwith the use of more
effective methodsin sometheir widesubsets. For example,they maybe the sets
of proceduresequivalent to the predicate calculus formulaeor to the rational
functions.
The present research is devotedto use of methodsbased on the search in
the space of procedures for solution of real problemsof the empirical law
inference and machinelearning. Its aims include the effective search strategies,
¯ the principles of selection of the best search directions, andthe methodsof the
direct synthesis of desired procedures.
Thelast years are markedby significant increase of research activity in the
field of automatedknowledgeacquisition, machinediscovery, and automated
inference of models.The present paper does not include a thoroughliterature
review -it wouldrequire a.lot of space. Goodreview of research before 1989
can be found in (MacDonald,Witten, 1989). There exists a numberof systems
whichinfer the dependencesbetweenvariables constituting training examples
(as a rule in the form of rational functions). Themost famousones are BACON
(Langley, Zitkov, Bradshaw, Simon, 1986), ABACUS
(Falkenhainer,
Michalski, 1990), FAHRENHEIT
(Zitkov, Zhu, 1991). The description
another interestingmachinediscovery technique can be found in (Phan, Witten,
1990). There are various approacheswhichuse the extensions of the classic
declarative formalisms to achieve moreexpressive power(see, for example,
extension of the predicate calculus, in (Michalski, 1993)). The system
whichsynthesizes functional programsin the process of search for the solution
- ls describedin (Shen, 1990). Theproblemof discoveryof structural regularities
in data is close to the grammarinference problem- see, for example,(Wolff,
1987). At last manyworksare devotedto the theoretical aspects of problemof
the recursive functions inference (Jantke, 1987). Summarizingit should
noted that all these workstouch only different instances of the general problem
of the programsynthesis as the universal approachto learning from examples
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and machine discovery. Besides that only few systems (for example,
FAHRENHEIT)
are reported to have the real-world applications. The present
paper is an attempt to showthat the search in the space of procedures built from
the domain-specific sets of primitives with the help of the universal production
schemes can serve as a basis for a universal data analysis system capable of
solving the real problemsfrom the various fields.
The paper is organized in the following way. Section 2 contains the
description of the functional programming language in which PolyAnalyst
formalizes constructed procedures. Section 3 explains howthe search in the
space of procedures is organised. Methodsused to avoid the tautologies and the
families of equivalent procedures are enumerated. In Section 4 the heuristics
which determine the search priorities are described. Section 5 is devoted to the
principles of direct construction of proceduresby subdividing the initial task to
a number of the simpler subtasks. Since almost every constructed program
contains constants it in general represents a family of procedures. This fact
makes the evalutaion of a new program the non-trivial task. The evaluation
procedure is described in Section 6. At last Section
7 is devoted to one of
/
PolyAnalyst’s applications.
2. The internal functional programminglanguage.
The PolyAnalyst system synthesizes procedures. A procedure can be
described as an object with some number of inputs and outputs (number of
outputs should benot less than I). Thesimplest procedures are called primitives.
Sets of primitives can be different for different tasks and are determinedby the
structure of analysed data and features of application field which are specified
in the domain definition (DO) file (see Section 7). Every input and output
procedures has a data type associated with it. It should be one of the data types
defined for the given task in the DDfile. Newprocedures are constructed from
existing ones with the help of several (4 in the present version) production
schemes (Kiselev, Kiseleva, 1990). These production schemes and other
features of the language resemble John Backus’ FP formalism (Backus, 1978).
The production schemesare illustrated by the diagrams below in which the solid
rectangles denote procedures used to build the newprocedure and the lines with
the arrows denote the data streams.
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a. Functional composition.
Input and output data types should
match. It is also true for the other
production schemesbelow.
b. Conditional execution. If the
value of the CONDinput is true then
execute the procedureelse copy some
input values to outputs.
c. Unconditional loop. Put on
some inputs of the procedure all
possible combinations of values
admissible for their data types subsequently and sumall values returned
by the procedure. Naturally, the data
types associated with these inputs
should be discrete and finite. This
constructionis suitable to realize the
predicate
calculus
quantors,
integration, and other operations.
d. Conditional loop. Executethe
procedure and test the value of its
output markedas COND.
If it is false
then stop else copyvalues fromoutputs
to inputs and begin newiteration. The
outputs of the newprocedure are all
the outputs of the old procedureexcept
the COND
output (which is always
false at the end of execution).
t
3. The search.
For every procedure built by the PolyAnalyst system a measure of its
complexity is defined. The procedures are built in the order of increasing
complexity.The heuristical search subsystemof the PolyAnalystcan reevaluate
this complexity measurein accordance with certain heuristics (see the next
Section) and due to this mechanismcan change the search order. Thus, this
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value called dynamicalcomplexityis a sumof the true complexityof procedure
and someheuristical corrections. The true complexityof a procedureis a sum
of the complexities of the primitives entering it and the complexities of the
production schemeswhichhave been used for its creation.
It is obvious that to be operable the system should have the mechanisms
whichwouldrecognize tautologies and equivalences of procedures and exclude
tautological or equivalent proceduresfromthe search. Further the tautologial
procedures and procedures which are equivalent to ever found ones will be
denoted by the term ’reducible’. It should be noted that these mechanisms
are
especially important for the PolyAnalystbecause of the strong combinatorial
growth of synthesized procedures. During the period of creation of the
PolyAnalystthe great efforts weremadeto provideit with the effective multilevel system sifting awaythe reducible procedures. The performedtests show
that the existing mechanism
recognizes and eliminates practically 100 %of the
reducible proceduresin the first 7 generations.
It includes the following components.
¯ a. The production schemesare applied in the order whichexcludes the
explicit "syntactic" equivalences. For example,if wehave the three procedures
A, B, and C, all with one input and one output then the procedurecorresponding
to their composition A(B(C(.))) could be built by the two ways - as a
composition of A(B(.)) and C(.), and as a composition of A(.) and B(C(.)).
The system recognizes such situation and uses the second wayonly.
b. Everyinput and output of proceduresis markednot only by its data type
but also by the other attribute called the ’algebra type’. This attribute helps to
avoid the "local" equivalences based on the identifies whichinclude several
primitives. For example, the primitives "+", "-", and "-" are boundby the
identity (a+b)~c <-> b-(c-a). The program which realizes the "functional
composition" production schemecontains the rules which prohibit certain
combinations of input and output algebra types. In the examplementioned
above the system builds only the left hand side procedure because the output
algebra type of the "-" primitive and the input algebra type of the "-" primitive
are incompatible.
c. Symmetry
of the primitive inputs can be specified. The mechanism
which
builds newprocedures determlnes the symmetries of constructed procedure
knowingthe symmetriesof its components.It allows to eliminate the "symmetrybased" equivalences such as a&b<-> b&a.Since the primitive "&" is declared
symmetriconly one variant is built.
d. It is possible to declare that connectionof two inputs of the certain
primitive with the samevariable (an output of someprocedureor a loop variable)
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leads to tautology. The system will not build the procedures contaning such
fragments. For example, a&a<-> a.
e, It is the consequenceof the general results of the theory of algorithms
that in general the equivalnceof two procedurescannot be provenby recursive
use of a finite set of rules like in a.-d. For this reasonthese exact "syntactic"
methods are supplemented by the inexact methods based on the selective
execution of the procedurefor various combinationsof the input values. These
methodsare called inexact in the sense that while they are able to recognizeall
the reducible procedures some not reducible procedures may be also
erroneously determinedas reducible. Howeverin practice the risk to reject a
"good" procedure can be minimizedto reasonable values by increasing the
numberof performedrandomtests. Oneof these methodsdetermines if some
input of a proceduredoes not influence its output. If the test executions show
that the output value of a proceduredoes not dependon someof its input for all
tried combinationsof values on the other inputs the procedure is declared
¯ tautological and discarded.
f. For all newproceduresthe returned values are calculated for definite set
of the standard input value combinations. The returned values are used to
calculate someprocedure’scharacteristic value called procedure’ssignature. If
two procedures have equal signatures they maybe equivalent. In this case a
numberof tests is carried out andif in eachtest the values returned by the both
procedures are equal the procedures are considered equivalent and the more
~omplexone is discarded.
4. Heuristics determinin~the search priorities.
Theheuristical rules of the dynamicalcomplexityre-evaluation used in the
PolyAnalystsystemare divided into two cathegories. The heuristics from the
first cathegoryre-evaluate the dynamicalcomplexityof procedureson the basis
of their certain structural features. Their importanceis determinedby the fact
that not all synthesized procedures can be a solution even potentially. For
example, the procedurea &(b-c) constructed from two primitives "&"and "-"
can not be a solution becauseit has no access to the analyzeddata. To become
acandidate for a solution (such proceduresare called the completeprocedures)
it should be linked with someprocedureswhichhave access to the data through
the special data access primitives. It is natural that percentageof incomplete
proceduresincreases with the growthof complexityof built procedures. If not
to take appropriate measuresthe systemwastes moreand moretime constructing
the incomplete procedures which will never be completed. The heuristics
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increase the dynamicalcomplexityof the incompleteproceduresproportionally
to numberof steps necessary for their completion.
The heuristics from the secondcathegory evaluate a procedureapplying it
to the training examples.Theycan decrease as well as increase the dynamical
complexityand can changeradically the search priorities.
Thethree of themare most important:
If a procedure has been found to be a solution of sometask in the given
application field (or it maybe one of the subtasks - see the next Section)
decrease its dynamicalcomplexityand to a lesser degree compexityof its
parentsandchildren.
Thelast two heuristics use a parameterof procedurecalled the enthropyof
returned values (ERV).To calculate this numbera procedureis applied to all
training examplessubsequently. ThenERVis the enthropy of the distribution
of these values.
¯ If a procedure has low ERVvalues for manycombinations of constants
entering it increase its dynamicalcomplexity.
The third heuristics uses the ratio ERV/ERVrand
where ERVrandis ERV
calculated not for the real examples but for generated set of the random
examples. The randomexampleshave the samestructure as the real examples
but consist of randomvalues distributed by the samelaw as respective values in
the real examples.
¯ If a procedure has high ERV/ERVrand
value decrease its dynamical
complexity.
It should be noted that the case whenERV/ERVrand
is close to zero may
be also interesting. It meansthat the built procedureexpresses somespecific
property of the analyseddata. Findingsuch characteristic properties can be the
main aim in sometask.
The additional opportunities to recognize the valuable procedures appear
in the case whena measureof closeness of found procedureto the solution can
be defined. This case ~includes the problemofinference of empirical dependences in bodiesof data belonging to the "continuous" domainswherethe real
numbersplay important role. In this class of problemsthe standard error of
predictionis a natural measureof closenessto the solution. Thefollowingsearch
strategy has provento be effective under such conditions. Twosearch processes
run concurrently. Thefirst one is the search process describedin the previous
section. It can roughlybe called the breadth-first search. Thesecondone takes
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as a starting point the best (in terms of standard error)procedurefoundby the
first process, For any procedure a set of transformations can be determined
whichdo not increase the standard error. Thesetransformations are called not
worsening transformations (nWT). The second search process applies all
possible nWT’sto the best procedure. The derived procedure with the least
standard error and the least numberof the additional parametersis considered
the best obtained solution. Whenthe first process finds newbest procedurethe
secondprocess takes it as a newstarting point and performs newnWT-search.
Theoperation continues until desired standard error level is reached.
S. Sub .ms~.anddirect construction of procedures.
Despite the heuristics and other mechanismswhichhelp to cut off not
perspective search branchesit is impossibleto reach the solution if it is very
complexnot using some effective direct methods. The following schemehas
provento be effective in manycases: search -> task subdividing-> attempts to
solve the subtasks -> construction of the solution from the solutions of the
subtasks.
At present weuse the followingtask subdividingstrategies.
a. Supposethat the systemhas found a numberof procedureseach of which
solves the task not over the wholeset of training examplesbut over someits
~ubsets so that all these subsets together overlay the full set of examples
completely.Thenthe systeminitiates the newtask of classification of training
examples
to these subsets. If it finds the solution of this subtaskthen the solution
of the initial task is composed
fromthe subtasks solutions in the obviousway.
b. Supposethat the systemhas found a procedurewhichreturns the correct
value being applied to each training examplebut with different values of the
constants entering it. In this case the system can try to find the procedures
realizing the mappingfromthe set of training examplesto the desired values of
the constants, After successful solution of these subtasks the final solution is
constructed through the "functional composition" production scheme(a. in
Section 2).
C. Supposethat the samesituation occurs as in b, The system can choose
the other wayto use it. It forms newset of training examplesadding to the
existing examplesthe respective values of procedure’sconstants. Assuming
that
all newexamplesbelongto someclass it tries to solve the respectiveclassification
task. If the systemfinds its solutionthe solutionof the initial task is constructed
through the "conditional loop" production scheme.
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6. Evaluation procedure.
After a newprocedure has been constructed it is compiled to effective
machinecode. Whenit evaluates a newprocedurePolyAnalystcalls it like the
C languagefunction.
As was mentionedin Introduction since a constructed procedurecan include
the constants it realizes a set of different dependencesparametrizedby values
of these constants. To determineff the set contains the solution is therefore
non-trivial problem. To solve this problem the present version of the
PolyAnalystsystem scans over all combinationsof the discrete constants and
for each combinationit performshill-climbing in the space of the continuous
constants.
: 7. Example0f .PolyAnalyst’s application. Dependenceof the mechanical
properties of p01ymereson their iR:spectrums
The PolyAnalyst system
has solved a number of
problems in chemistry of
polymeres. For example, it is
given with a numberof the IRspectrumsof the polyethylene
films and the values of the
elasticity of the corresponing
samples (see Fig.l). The
system should find a formula
expressing dependence of
elasticity on some spectral
parameters. This task was
solved by the PolyAnalyst
version which worked only
with discrete data. Therefore
the spectral curves had to be
transformedto somesets
of discrete parameters.
u
i
i
i
The problem of discreFig, 1. The examplesof the IR-spectrumsof the
~ization of continuous
polyethylene films, The numbersare values of
data appears in manyAI
elasticity of the respectivesamples.
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tasks - see an exampleof the discre~ation procedure in (Catlett, 1991).
used the following scheme. The investigated spectral band was broken to NX
intervals. For eachinterval the averageintensity, the intensity dispersion, and
the numberof peaks were calculated. Thenthe range of intensity was also
broken to Ny intervals. Correspondingly the average intensities and the
intensity dispersions were transformedto the integeres from 0 to Ny-1. After
this procedure every spectrumwas represented by the three-sectional raw of
the integers. The first section contained NXvalues of discretized average
intensities, the secondsection contained NXdiscretized intensity dispersions,
the third section contained NXvalues of numbersof peaks in the respective
spectral interval. To determinethe optimal values of NXand N¥the following
consideration was used.: To write the first two sections 2Nxlog2Ny
bits is
necessary. Wecalculated the information gain (IG) for each spectrumand for
different NX,NYvalues and selected those NX,NYvalues which gave the
maximum
information gain per bit (IG/2Nxlog2Ny).
To start search for a solution the systemshould knowthe structure of the
examples,the set of primitives, and the set of data types. This informationis
supplied in so called domaindefinition (DD)file. TheDDfile for our case
shownon the Fig.2. The section DATA_TYPES
contains names of data’types
and their ranges. In our case Nx - 4, Ny= 11. Here "band" is the spectral
interval number.In the section ORDER
the properties of the data types are
,specified. This informationis necessaryto generate correct set of primitives.
For example,for the "intensity" data type the wholeset of the arithmetical
operationsis generatedwhile for the "band"data type only the operators "next",
"previous", "equal to", and
.DATA_TYPES
"less than" are defined. The
N-0-10
section QUANTallows the
band=O-3
loop variables of types "band"
intensity=O-10
.ORDER
and "intensity". At last the
band-STRAIGHT
ASS_INSTRUCTIONS
Intensity=,ADDITIVE
section fixes the three.OUANT
band,Intensity
sectional structure of the
.ASS INSTRUCTIONS
examples.It also contains the
b~d->lntensity, of averagelevel in $0
band->L,there Is high dispersion In $0
verbal definition of meaningof
band->N,of peaks In $0
-.thesections.
Thenames
ofdata
.END
types
andexample
sections
are
usedwhenthe obtained
deFig.2. The DDfile for the "IR
pendence
is translated
by the
spectrums" domain.
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english" verbal
form (see below).
It shouldbe added
that
after
the
discretization
the
dispersion values
became0s andIs
only so that they
***** FB#381
MEANING:
#o0 is N $A- $B where
$A Is N of peaksin #0
If not $Dthen SBIs $C;
else $B Is N $C * #1
where
$C is N of peaksIn #2
$Dis there is high dispersion In #3
THIS IS TARGET
ll
Inputs: 0 4 2 0
are treated as
BESTRESULT
reached by FB #381 operands: 0 4 2 0
boolean(L).
res=-Tg.8*out+398,d: 81.870
To solve this
task (represented
by spectrums of
Fig.3. The "pseudo-verbai"form of solution
47 polyethylene
sampleswith knownelasticity) the PolyAnalystcomputedduring several hours.
The solution is shownon the Fig.3. At present the verbal representation
producedby the PolyAnalystis far fromperfect - it is direct projection of the
respective internal language structures. Howeverif to makeall recursive
substitutions the followingformulacan obtained. Elasticity- -79.8 * out + 398.
_ 81.870where’out’ is the value returned by the following procedure.
[Npeaksin b.#2 if low dispersion in b.#0
out = (N of peaks in band #0) - ~else
[(Npeaksin b.#2) *
¯It can be expressedalso as
out - (Npeaksin b.#0) - Npeaksin b.#2 * (1 + 3 * dispersion in b.#0)
ThePolyAnalystis able to determineff the set of training examplesis too
small. Oneof the simplest methodsis following. It generates the pairs <spectral
data, elasticity> in whichthe both componentsare from the real examplesbut
are randomlymixed.Thesametask is solved for this randomizedset also. If the
foundsolution gives the close value of standard error the solution of the main
task cannotbe consideredreliable. This test is performedfor several different
randomizedtraining sets.
Beside the tasks from chemistry of polymeresthe PolyAnalysthas solved
a numberof real tasks from medicine,geophysics, and agricultural science.
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8. Conclusion.
Our research showsthat it is possible to organize effective search in the
space of proceduresand use it for the real-world applications. The following
factors are the mostimportant for the systemsbased on this approach:
¯ effective mechanisms
of avoidanceof trivial and equivalent procedures;
¯ reliable principles of selection of the search priorities;
¯ combineduse of search and direct inference of programs;
¯ combinationof the universal search technique in the procedural spaces and
special methodsapplicable to their subsets equivalent to somedeclarative
formalisms.
The working mechanismswhich realize the first three prnciples in the
PolyAnalystsystem were descn’bedin the paper. The mechanismrealizing the
effective search technique in the sub-spaceswhichare equivalent to the set of
the predicate calculus formulaeand the set of the rational functions is developed
now.
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