From 85fc6526fc5c89f9511bc4526c85c1fba541ffe0 Mon Sep 17 00:00:00 2001
From: "Bernhard J. Berger" <bernhard.berger@uni-bremen.de>
Date: Sat, 11 Feb 2023 02:47:13 +0100
Subject: [PATCH] RMSE and RRSE
---
.../main/gof/rmse/RMSECalculator.java | 108 ++++++++++++++++++
.../main/gof/rmse/RRSECalculator.java | 103 +++++++++++++++++
.../src/main/java/module-info.java | 1 +
.../META-INF/specifications.surrogate/api.dl | 0
.../META-INF/specifications/ea/api.dl | 0
5 files changed, 212 insertions(+)
create mode 100644 src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RMSECalculator.java
create mode 100644 src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RRSECalculator.java
create mode 100644 src/core/de.evoal.surrogate.api/src/main/resources/META-INF/specifications.surrogate/api.dl
create mode 100644 src/core/de.evoal.surrogate.api/src/main/resources/META-INF/specifications/ea/api.dl
diff --git a/src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RMSECalculator.java b/src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RMSECalculator.java
new file mode 100644
index 00000000..420d6063
--- /dev/null
+++ b/src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RMSECalculator.java
@@ -0,0 +1,108 @@
+package de.evoal.surrogate.main.gof.rmse;
+
+import de.evoal.core.api.properties.Properties;
+import de.evoal.core.api.properties.stream.PropertiesBasedPropertiesPairStreamSupplier;
+import de.evoal.core.api.properties.stream.PropertiesPairStreamSupplier;
+import de.evoal.core.api.properties.stream.PropertiesStreamSupplier;
+import de.evoal.core.api.utils.Requirements;
+import de.evoal.surrogate.api.SurrogateInformationCalculator;
+import de.evoal.surrogate.api.configuration.Parameter;
+import de.evoal.surrogate.api.configuration.SurrogateConfiguration;
+import de.evoal.surrogate.api.function.SurrogateFunction;
+import lombok.extern.slf4j.Slf4j;
+import org.apache.commons.math3.stat.descriptive.moment.Mean;
+import org.apache.commons.math3.stat.descriptive.moment.StandardDeviation;
+import org.apache.commons.math3.util.Pair;
+
+import javax.enterprise.context.Dependent;
+import javax.inject.Named;
+import java.util.ArrayList;
+import java.util.Arrays;
+import java.util.List;
+import java.util.function.Function;
+import java.util.stream.DoubleStream;
+
+/**
+ * Calculates the root mean squared error.
+ */
+@Dependent
+@Named("rmse")
+@Slf4j
+public class RMSECalculator implements SurrogateInformationCalculator {
+
+ /**
+ * Surrogate configuration for attaching the calculated r² value.
+ */
+ private SurrogateConfiguration config;
+
+ /**
+ * The actual surrogate function.
+ */
+ private SurrogateFunction function;
+
+ /**
+ * Supplier for the trainings data.
+ */
+ private PropertiesStreamSupplier trainingData;
+
+ @Override
+ public void execute() {
+ log.info("calculating rmse of surrogate function.");
+
+ final PropertiesPairStreamSupplier pairStream = new PropertiesBasedPropertiesPairStreamSupplier(trainingData, function.getInputSpecification(), function.getOutputSpecification());
+
+ final List<List<Double>> data = new ArrayList<>();
+ for(int i = 0; i < function.getOutputSpecification().size(); ++i) {
+ data.add(new ArrayList<>());
+ }
+
+ pairStream.get()
+ .forEach(p -> {
+ final Properties source = p.getFirst();
+ final Properties expected = p.getSecond();
+
+ final Properties actual = function.apply(source);
+
+ for(int i = 0; i < expected.size(); ++i) {
+ data.get(i).add(Math.pow(expected.getAsDouble(i) - actual.getAsDouble(i), 2.0));
+ }
+ });
+
+
+
+ for(int i = 0; i < data.size(); ++i) {
+ final double average = data.get(i)
+ .stream()
+ .mapToDouble(Double.class::cast)
+ .summaryStatistics()
+ .getAverage();
+
+ final double rmse = Math.pow(average, 0.5);
+
+ log.info("RMSE of {}: '{}'", function.getOutputSpecification().get(i), rmse);
+
+ final Parameter goodnessOfFit = Parameter.builder()
+ .name("rmse")
+ .value(rmse)
+ .build();
+
+ config.addOutputParameter(function.getOutputSpecification().get(i).name(), goodnessOfFit);
+ }
+ }
+
+ @Override
+ public String toString() {
+ return "rmse";
+ }
+
+ @Override
+ public void configure(final SurrogateFunction function, final SurrogateConfiguration config, final List<Object> parameters, final PropertiesStreamSupplier trainingData) {
+ Requirements.requireEmpty(parameters);
+ Requirements.requireNotNull(function);
+ Requirements.requireNotNull(config);
+
+ this.function = function;
+ this.config = config;
+ this.trainingData = trainingData;
+ }
+}
diff --git a/src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RRSECalculator.java b/src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RRSECalculator.java
new file mode 100644
index 00000000..9df7d648
--- /dev/null
+++ b/src/core/de.evoal.surrogate.api/src/main/java/de/evoal/surrogate/main/gof/rmse/RRSECalculator.java
@@ -0,0 +1,103 @@
+package de.evoal.surrogate.main.gof.rmse;
+
+import de.evoal.core.api.properties.Properties;
+import de.evoal.core.api.properties.stream.PropertiesBasedPropertiesPairStreamSupplier;
+import de.evoal.core.api.properties.stream.PropertiesPairStreamSupplier;
+import de.evoal.core.api.properties.stream.PropertiesStreamSupplier;
+import de.evoal.core.api.utils.Requirements;
+import de.evoal.surrogate.api.SurrogateInformationCalculator;
+import de.evoal.surrogate.api.configuration.Parameter;
+import de.evoal.surrogate.api.configuration.SurrogateConfiguration;
+import de.evoal.surrogate.api.function.SurrogateFunction;
+import lombok.extern.slf4j.Slf4j;
+
+import javax.enterprise.context.Dependent;
+import javax.inject.Named;
+import java.util.ArrayList;
+import java.util.List;
+
+/**
+ * Calculates the root mean squared error.
+ */
+@Dependent
+@Named("rrse")
+@Slf4j
+public class RRSECalculator implements SurrogateInformationCalculator {
+
+ /**
+ * Surrogate configuration for attaching the calculated r² value.
+ */
+ private SurrogateConfiguration config;
+
+ /**
+ * The actual surrogate function.
+ */
+ private SurrogateFunction function;
+
+ /**
+ * Supplier for the trainings data.
+ */
+ private PropertiesStreamSupplier trainingData;
+
+ @Override
+ public void execute() {
+ log.info("calculating rmse of surrogate function.");
+
+ final PropertiesPairStreamSupplier pairStream = new PropertiesBasedPropertiesPairStreamSupplier(trainingData, function.getInputSpecification(), function.getOutputSpecification());
+
+ final List<List<Double>> data = new ArrayList<>();
+ for(int i = 0; i < function.getOutputSpecification().size(); ++i) {
+ data.add(new ArrayList<>());
+ }
+
+ pairStream.get()
+ .forEach(p -> {
+ final Properties source = p.getFirst();
+ final Properties expected = p.getSecond();
+
+ final Properties actual = function.apply(source);
+
+ for(int i = 0; i < expected.size(); ++i) {
+ System.err.println(" " + expected.getAsDouble(i) + " -- " + actual.getAsDouble(i));
+ data.get(i).add(Math.pow((expected.getAsDouble(i) - actual.getAsDouble(i)) / expected.getAsDouble(i), 2.0));
+ }
+ });
+
+
+
+ for(int i = 0; i < data.size(); ++i) {
+ final double average = data.get(i)
+ .stream()
+ .mapToDouble(Double.class::cast)
+ .summaryStatistics()
+ .getAverage();
+
+ final double rrse = Math.pow(average, 0.5);
+
+ log.info("RRSE of {}: '{}'", function.getOutputSpecification().get(i), rrse);
+
+ final Parameter goodnessOfFit = Parameter.builder()
+ .name("rrse")
+ .value(rrse)
+ .build();
+
+ config.addOutputParameter(function.getOutputSpecification().get(i).name(), goodnessOfFit);
+ }
+ }
+
+ @Override
+ public String toString() {
+ return "rrse";
+ }
+
+ @Override
+ public void configure(final SurrogateFunction function, final SurrogateConfiguration config, final List<Object> parameters, final PropertiesStreamSupplier trainingData) {
+ Requirements.requireEmpty(parameters);
+ Requirements.requireNotNull(function);
+ Requirements.requireNotNull(config);
+
+ this.function = function;
+ this.config = config;
+ this.trainingData = trainingData;
+ }
+}
diff --git a/src/core/de.evoal.surrogate.api/src/main/java/module-info.java b/src/core/de.evoal.surrogate.api/src/main/java/module-info.java
index 2cf1213f..a4a1a87c 100644
--- a/src/core/de.evoal.surrogate.api/src/main/java/module-info.java
+++ b/src/core/de.evoal.surrogate.api/src/main/java/module-info.java
@@ -43,6 +43,7 @@ module de.evoal.surrogate.api {
opens de.evoal.surrogate.main.internal to weld.core.impl;
opens de.evoal.surrogate.main.jackson to weld.core.impl, com.fasterxml.jackson.databind;
opens de.evoal.surrogate.main.gof.cross to weld.core.impl;
+ opens de.evoal.surrogate.main.gof.rmse to weld.core.impl;
opens de.evoal.surrogate.main.gof.rsquare to weld.core.impl;
opens de.evoal.surrogate.main.statistics.constraint to weld.core.impl;
opens de.evoal.surrogate.main.statistics.correlated to weld.core.impl;
diff --git a/src/core/de.evoal.surrogate.api/src/main/resources/META-INF/specifications.surrogate/api.dl b/src/core/de.evoal.surrogate.api/src/main/resources/META-INF/specifications.surrogate/api.dl
new file mode 100644
index 00000000..e69de29b
diff --git a/src/core/de.evoal.surrogate.api/src/main/resources/META-INF/specifications/ea/api.dl b/src/core/de.evoal.surrogate.api/src/main/resources/META-INF/specifications/ea/api.dl
new file mode 100644
index 00000000..e69de29b
--
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