Initial version of quantum machine learning library / QCC classifier

Build/build.ps1

@@ -34,7 +34,10 @@ Build-One 'publish' '../Chemistry.sln'
 Write-Host "##[info]Build Numerics library"
 Build-One 'publish' '../Numerics.sln'
 
-Write-Host "##[info]Build Standard library"
+Write-Host "##[info]Build QML library"
+Build-One 'publish' '../MachineLearning.sln'
+
+Write-Host "##[info]Build Jupyter magic library"
 Build-One 'publish' '../Magic.sln'
 
 if (-not $all_ok) {

Build/check_indents.py

@@ -24,7 +24,7 @@ def check_file(filename : str) -> bool:
     found_spaces = False
     found_tabs = False
 
-    with open(filename, 'r') as f:
+    with open(filename, 'r', encoding='utf-8') as f:
         contents = list(f.readlines())
 
     for line in contents:

Build/pack.ps1

@@ -14,7 +14,7 @@ function Pack-One() {
         -c $Env:BUILD_CONFIGURATION `
         -v $Env:BUILD_VERBOSITY `
         -o $Env:NUGET_OUTDIR `
-        /property:PackageVersion=$Env:NUGET_VERSION 
+        /property:PackageVersion=$Env:NUGET_VERSION
 
     if  ($LastExitCode -ne 0) {
         Write-Host "##vso[task.logissue type=error;]Failed to pack $project."
@@ -28,6 +28,9 @@ Pack-One '../Standard/src/Standard.csproj'
 Write-Host "##[info]Pack Chemistry library"
 Pack-One '../Chemistry/src/DataModel/DataModel.csproj'
 
+Write-Host "##[info]Pack QML library"
+Pack-One '../MachineLearning/src/MachineLearning.csproj'
+
 Write-Host "##[info]Pack Numerics library"
 Pack-One '../Numerics/src/Numerics.csproj'
 

Chemistry/src/DataModel/DataModel.csproj

@@ -1,4 +1,4 @@
-<Project Sdk="Microsoft.NET.Sdk">
+<Project Sdk="Microsoft.NET.Sdk">
 
   <PropertyGroup>
     <TargetFramework>netstandard2.1</TargetFramework>
@@ -14,7 +14,7 @@
     <Copyright>© Microsoft Corporation. All rights reserved.</Copyright>
     <PackageId>Microsoft.Quantum.Chemistry</PackageId>
     <PackageReleaseNotes>See: https://docs.microsoft.com/en-us/quantum/relnotes/</PackageReleaseNotes>
-    <PackageLicenseUrl>https://github.com/Microsoft/QuantumLibraries/raw/master/LICENSE.txt</PackageLicenseUrl>
+    <PackageLicenseExpression>MIT</PackageLicenseExpression>
     <PackageProjectUrl>https://github.com/Microsoft/QuantumLibraries/tree/master/Chemistry</PackageProjectUrl>
     <PackageIconUrl>https://secure.gravatar.com/avatar/bd1f02955b2853ba0a3b1cdc2434e8ec.png</PackageIconUrl>
     <PackageTags>Quantum Q# Qsharp</PackageTags>

Chemistry/src/Jupyter/Jupyter.csproj

@@ -1,4 +1,4 @@
-<Project Sdk="Microsoft.NET.Sdk">
+<Project Sdk="Microsoft.NET.Sdk">
   <PropertyGroup>
     <TargetFramework>netstandard2.1</TargetFramework>
     <PlatformTarget>x64</PlatformTarget>

Chemistry/src/Runtime/Runtime.csproj

@@ -1,4 +1,4 @@
-<Project Sdk="Microsoft.Quantum.Sdk/0.10.2001.2831">
+<Project Sdk="Microsoft.Quantum.Sdk/0.10.2002.2103-beta">
 
   <PropertyGroup>
     <TargetFramework>netstandard2.1</TargetFramework>
@@ -16,7 +16,7 @@
   </ItemGroup>
 
   <ItemGroup>
-    <PackageReference Include="Microsoft.Quantum.Simulators" Version="0.10.2001.2831" />
+    <PackageReference Include="Microsoft.Quantum.Simulators" Version="0.10.2002.2103-beta" />
   </ItemGroup>
 
 </Project>

Chemistry/tests/ChemistryTests/QSharpTests.csproj

@@ -1,4 +1,4 @@
-<Project Sdk="Microsoft.Quantum.Sdk/0.10.2001.2831">
+<Project Sdk="Microsoft.Quantum.Sdk/0.10.2002.2103-beta">
 
   <Import Project="..\..\..\Build\props\tests.props" />
 

Chemistry/tests/DataModelTests/CSharpTests.csproj

@@ -1,4 +1,4 @@
-<Project Sdk="Microsoft.NET.Sdk">
+<Project Sdk="Microsoft.NET.Sdk">
 
   <PropertyGroup>
     <TargetFramework>netcoreapp3.0</TargetFramework>
@@ -20,7 +20,7 @@
 
   <ItemGroup>
     <PackageReference Include="Microsoft.NET.Test.Sdk" Version="16.4.0" />
-    <PackageReference Include="Newtonsoft.Json" Version="12.0.3" />    
+    <PackageReference Include="Newtonsoft.Json" Version="12.0.3" />
     <PackageReference Include="xunit" Version="2.4.1" />
     <PackageReference Include="xunit.runner.visualstudio" Version="2.4.1">
       <PrivateAssets>all</PrivateAssets>
@@ -41,7 +41,7 @@
   <ItemGroup>
     <Compile Include="..\..\Common\DelaySign.cs" Link="Properties\DelaySign.cs" />
   </ItemGroup>
-  
+
   <ItemGroup>
     <ProjectReference Include="..\..\src\Runtime\Runtime.csproj" />
     <ProjectReference Include="..\..\src\DataModel\DataModel.csproj" />

Chemistry/tests/SamplesTests/SamplesTests.csproj

@@ -1,4 +1,4 @@
-<Project Sdk="Microsoft.NET.Sdk">
+<Project Sdk="Microsoft.NET.Sdk">
 
   <PropertyGroup>
     <TargetFramework>netcoreapp3.0</TargetFramework>
@@ -14,7 +14,7 @@
 
   <ItemGroup>
     <PackageReference Include="Microsoft.NET.Test.Sdk" Version="16.4.0" />
-    <PackageReference Include="Newtonsoft.Json" Version="12.0.3" />    
+    <PackageReference Include="Newtonsoft.Json" Version="12.0.3" />
     <PackageReference Include="xunit" Version="2.4.1" />
     <PackageReference Include="xunit.runner.visualstudio" Version="2.4.1">
       <PrivateAssets>all</PrivateAssets>
@@ -35,7 +35,7 @@
   <ItemGroup>
     <Compile Include="..\..\Common\DelaySign.cs" Link="Properties\DelaySign.cs" />
   </ItemGroup>
-  
+
   <ItemGroup>
     <None Include="..\BroombridgeExamples\LiH_0.2.yaml" Link="Molecules\LiH_0.2.yaml">
       <CopyToOutputDirectory>PreserveNewest</CopyToOutputDirectory>

Chemistry/tests/SystemTests/SystemTests.csproj

@@ -1,4 +1,4 @@
-<Project Sdk="Microsoft.Quantum.Sdk/0.10.2001.2831">
+<Project Sdk="Microsoft.Quantum.Sdk/0.10.2002.2103-beta">
 
   <Import Project="..\..\..\Build\props\tests.props" />
 
@@ -12,7 +12,7 @@
       <CopyToOutputDirectory>PreserveNewest</CopyToOutputDirectory>
     </Content>
   </ItemGroup>
-  
+
   <ItemGroup>
     <None Include="..\BroombridgeExamples\hydrogen_0.1.yaml" Link="Molecules\MolecularHydrogen\hydrogen_0.1.yaml">
       <CopyToOutputDirectory>PreserveNewest</CopyToOutputDirectory>
@@ -31,7 +31,7 @@
   <ItemGroup>
     <Compile Include="..\..\Common\DelaySign.cs" Link="Properties\DelaySign.cs" />
   </ItemGroup>
-  
+
   <ItemGroup>
     <ProjectReference Include="..\..\..\Standard\src\Standard.csproj" />
     <ProjectReference Include="..\..\src\Runtime\Runtime.csproj" />

MachineLearning.sln

@@ -0,0 +1,54 @@
+
+Microsoft Visual Studio Solution File, Format Version 12.00
+# Visual Studio 15
+VisualStudioVersion = 15.0.26124.0
+MinimumVisualStudioVersion = 15.0.26124.0
+Project("{2150E333-8FDC-42A3-9474-1A3956D46DE8}") = "MachineLearning", "MachineLearning", "{D067C787-94C3-4DB8-9012-1F22AE784BEF}"
+EndProject
+Project("{FAE04EC0-301F-11D3-BF4B-00C04F79EFBC}") = "MachineLearningTests", "MachineLearning\tests\MachineLearningTests.csproj", "{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}"
+EndProject
+Project("{FAE04EC0-301F-11D3-BF4B-00C04F79EFBC}") = "MachineLearning", "MachineLearning\src\MachineLearning.csproj", "{B045BF35-6BE6-4982-9618-8725C70D3F91}"
+EndProject
+Global
+	GlobalSection(SolutionConfigurationPlatforms) = preSolution
+		Debug|Any CPU = Debug|Any CPU
+		Debug|x64 = Debug|x64
+		Debug|x86 = Debug|x86
+		Release|Any CPU = Release|Any CPU
+		Release|x64 = Release|x64
+		Release|x86 = Release|x86
+	EndGlobalSection
+	GlobalSection(SolutionProperties) = preSolution
+		HideSolutionNode = FALSE
+	EndGlobalSection
+	GlobalSection(ProjectConfigurationPlatforms) = postSolution
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Debug|Any CPU.ActiveCfg = Debug|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Debug|Any CPU.Build.0 = Debug|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Debug|x64.ActiveCfg = Debug|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Debug|x64.Build.0 = Debug|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Debug|x86.ActiveCfg = Debug|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Debug|x86.Build.0 = Debug|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Release|Any CPU.ActiveCfg = Release|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Release|Any CPU.Build.0 = Release|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Release|x64.ActiveCfg = Release|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Release|x64.Build.0 = Release|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Release|x86.ActiveCfg = Release|Any CPU
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C}.Release|x86.Build.0 = Release|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Debug|Any CPU.ActiveCfg = Debug|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Debug|Any CPU.Build.0 = Debug|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Debug|x64.ActiveCfg = Debug|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Debug|x64.Build.0 = Debug|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Debug|x86.ActiveCfg = Debug|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Debug|x86.Build.0 = Debug|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Release|Any CPU.ActiveCfg = Release|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Release|Any CPU.Build.0 = Release|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Release|x64.ActiveCfg = Release|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Release|x64.Build.0 = Release|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Release|x86.ActiveCfg = Release|Any CPU
+		{B045BF35-6BE6-4982-9618-8725C70D3F91}.Release|x86.Build.0 = Release|Any CPU
+	EndGlobalSection
+	GlobalSection(NestedProjects) = preSolution
+		{94EBDF5F-0A9D-4CE5-9D16-3FF323B8792C} = {D067C787-94C3-4DB8-9012-1F22AE784BEF}
+		{B045BF35-6BE6-4982-9618-8725C70D3F91} = {D067C787-94C3-4DB8-9012-1F22AE784BEF}
+	EndGlobalSection
+EndGlobal

MachineLearning/Common/DelaySign.cs

@@ -0,0 +1,24 @@
+using System.Reflection;
+
+// Attributes for delay-signing
+#if SIGNED
+[assembly:AssemblyKeyFile("..\\..\\Build\\267DevDivSNKey2048.snk")]
+[assembly:AssemblyDelaySign(true)]
+#endif
+
+internal static class SigningConstants
+{
+#if SIGNED
+    public const string PUBLIC_KEY = ", PublicKey=" +
+        "002400000c800000140100000602000000240000525341310008000001000100613399aff18ef1" +
+        "a2c2514a273a42d9042b72321f1757102df9ebada69923e2738406c21e5b801552ab8d200a65a2" +
+        "35e001ac9adc25f2d811eb09496a4c6a59d4619589c69f5baf0c4179a47311d92555cd006acc8b" +
+        "5959f2bd6e10e360c34537a1d266da8085856583c85d81da7f3ec01ed9564c58d93d713cd0172c" +
+        "8e23a10f0239b80c96b07736f5d8b022542a4e74251a5f432824318b3539a5a087f8e53d2f135f" +
+        "9ca47f3bb2e10aff0af0849504fb7cea3ff192dc8de0edad64c68efde34c56d302ad55fd6e80f3" +
+        "02d5efcdeae953658d3452561b5f36c542efdbdd9f888538d374cef106acf7d93a4445c3c73cd9" +
+        "11f0571aaf3d54da12b11ddec375b3";
+#else
+    public const string PUBLIC_KEY = "";
+#endif
+}

MachineLearning/src/Classification.qs

@@ -0,0 +1,128 @@
+namespace Microsoft.Quantum.MachineLearning {
+    open Microsoft.Quantum.Math;
+    open Microsoft.Quantum.Characterization;
+    open Microsoft.Quantum.Arithmetic;
+    open Microsoft.Quantum.Arrays;
+    open Microsoft.Quantum.Intrinsic;
+    open Microsoft.Quantum.Canon;
+    open Microsoft.Quantum.Convert;
+
+
+    operation _PrepareClassification(
+        encoder : (LittleEndian => Unit is Adj + Ctl),
+        model : SequentialModel,
+        target : Qubit[]
+    )
+    : Unit is Adj {
+        encoder(LittleEndian(target));
+        ApplySequentialClassifier(model, target);
+    }
+
+    /// # Summary
+    /// Given a sample and a sequential classifier, estimates the
+    /// classification probability for that sample by repeatedly measuring
+    /// the output of the classifier on the given sample.
+    ///
+    /// # Input
+    /// ## tolerance
+    /// The tolerance to allow in encoding the sample into a state preparation
+    /// operation.
+    /// ## model
+    /// The sequential model to be used to estimate the classification
+    /// probability for the given sample.
+    /// ## sample
+    /// The feature vector for the sample to be classified.
+    /// ## nMeasurements
+    /// The number of measusrements to use in estimating the classification
+    /// probability.
+    /// # Output
+    /// An estimate of the classification probability for the given sample.
+    operation EstimateClassificationProbability(
+        tolerance : Double,
+        model : SequentialModel,
+        sample : Double[],
+        nMeasurements: Int
+    )
+    : Double {
+        let encodedSample = ApproximateInputEncoder(tolerance / IntAsDouble(Length(model::Structure)), sample);
+        return 1.0 - EstimateFrequencyA(
+            _PrepareClassification(encodedSample::Prepare, model, _),
+            _TailMeasurement(encodedSample::NQubits),
+            encodedSample::NQubits,
+            nMeasurements
+        );
+    }
+
+    /// # Summary
+    /// Given a set of samples and a sequential classifier, estimates the
+    /// classification probability for those samples by repeatedly measuring
+    /// the output of the classifier on each sample.
+    ///
+    /// # Input
+    /// ## tolerance
+    /// The tolerance to allow in encoding the sample into a state preparation
+    /// operation.
+    /// ## model
+    /// The sequential model to be used to estimate the classification
+    /// probabilities for the given samples.
+    /// ## samples
+    /// An array of feature vectors for each sample to be classified.
+    /// ## nMeasurements
+    /// The number of measusrements to use in estimating the classification
+    /// probability.
+    /// # Output
+    /// An array of estimates of the classification probability for each given
+    /// sample.
+    operation EstimateClassificationProbabilities(
+        tolerance : Double,
+        model : SequentialModel,
+        samples : Double[][],
+        nMeasurements : Int
+    )
+    : Double[] {
+        let effectiveTolerance = tolerance / IntAsDouble(Length(model::Structure));
+        return ForEach(
+            EstimateClassificationProbability(
+                effectiveTolerance, model, _, nMeasurements
+            ),
+            samples
+        );
+    }
+
+    /// # Summary
+    /// Given a of classification probability and a bias, returns the
+    /// label inferred from that probability.
+    ///
+    /// # Input
+    /// ## bias
+    /// The bias between two classes, typically the result of training a
+    /// classifier.
+    /// ## probability
+    /// A classification probabilities for a particular sample, typicaly
+    /// resulting from estimating its classification frequency.
+    ///
+    /// # Output
+    /// The label inferred from the given classification probability.
+    function InferredLabel(bias : Double, probability : Double) : Int {
+        return probability + bias > 0.5 ? 1 | 0;
+    }
+
+    /// # Summary
+    /// Given an array of classification probabilities and a bias, returns the
+    /// label inferred from each probability.
+    ///
+    /// # Input
+    /// ## bias
+    /// The bias between two classes, typically the result of training a
+    /// classifier.
+    /// ## probabilities
+    /// An array of classification probabilities for a set of samples, typicaly
+    /// resulting from estimating classification frequencies.
+    ///
+    /// # Output
+    /// The label inferred from each classification probability.
+    function InferredLabels(bias : Double, probabilities : Double[]): Int[] {
+        return Mapped(InferredLabel(bias, _), probabilities);
+    }
+
+}