[WIP] optimization with QOW

.gitignore

@@ -18,3 +18,5 @@ out/
 # Generated by javac -h and runtime
 *.class
 *.log
+
+/kmath-ejml/src/main/kotlin/space/kscience/kmath/ejml/_generated.kt

CHANGELOG.md

@@ -14,6 +14,7 @@
 - Jupyter Notebook integration module (kmath-jupyter)
 - `@PerformancePitfall` annotation to mark possibly slow API
 - BigInt operation performance improvement and fixes by @zhelenskiy (#328)
+- Unified architecture for Integration and Optimization using features.
 
 ### Changed
 - Exponential operations merged with hyperbolic functions
@@ -35,6 +36,8 @@
 - Remove Any restriction on polynomials
 - Add `out` variance to type parameters of `StructureND` and its implementations where possible
 - Rename `DifferentiableMstExpression` to `KotlingradExpression`
+- `FeatureSet` now accepts only `Feature`. It is possible to override keys and use interfaces.
+- Use `Symbol` factory function instead of `StringSymbol`
 
 ### Deprecated
 

benchmarks/src/jvmMain/kotlin/space/kscience/kmath/benchmarks/DotBenchmark.kt

@@ -23,8 +23,8 @@ internal class DotBenchmark {
         const val dim = 1000
 
         //creating invertible matrix
-        val matrix1 = LinearSpace.real.buildMatrix(dim, dim) { i, j -> if (i <= j) random.nextDouble() else 0.0 }
+        val matrix1 = LinearSpace.double.buildMatrix(dim, dim) { i, j -> if (i <= j) random.nextDouble() else 0.0 }
-        val matrix2 = LinearSpace.real.buildMatrix(dim, dim) { i, j -> if (i <= j) random.nextDouble() else 0.0 }
+        val matrix2 = LinearSpace.double.buildMatrix(dim, dim) { i, j -> if (i <= j) random.nextDouble() else 0.0 }
 
         val cmMatrix1 = CMLinearSpace { matrix1.toCM() }
         val cmMatrix2 = CMLinearSpace { matrix2.toCM() }
@@ -63,7 +63,7 @@ internal class DotBenchmark {
 
     @Benchmark
     fun realDot(blackhole: Blackhole) {
-        LinearSpace.real {
+        LinearSpace.double {
             blackhole.consume(matrix1 dot matrix2)
         }
     }

benchmarks/src/jvmMain/kotlin/space/kscience/kmath/benchmarks/MatrixInverseBenchmark.kt

@@ -25,7 +25,7 @@ internal class MatrixInverseBenchmark {
         private val random = Random(1224)
         private const val dim = 100
 
-        private val space = LinearSpace.real
+        private val space = LinearSpace.double
 
         //creating invertible matrix
         private val u = space.buildMatrix(dim, dim) { i, j -> if (i <= j) random.nextDouble() else 0.0 }
@@ -35,7 +35,7 @@ internal class MatrixInverseBenchmark {
 
     @Benchmark
     fun kmathLupInversion(blackhole: Blackhole) {
-        blackhole.consume(LinearSpace.real.inverseWithLup(matrix))
+        blackhole.consume(LinearSpace.double.inverseWithLup(matrix))
     }
 
     @Benchmark

buildSrc/src/main/kotlin/space/kscience/kmath/ejml/codegen/ejmlCodegen.kt

@@ -203,7 +203,7 @@ public object EjmlLinearSpace${ops} : EjmlLinearSpace<${type}, ${kmathAlgebra},
     public override fun ${type}.times(v: Point<${type}>): Ejml${type}Vector<${ejmlMatrixType}> = v * this
 
     @UnstableKMathAPI
-    public override fun <F : StructureFeature> getFeature(structure: Matrix<${type}>, type: KClass<out F>): F? {
+    public override fun <F : StructureFeature> computeFeature(structure: Matrix<${type}>, type: KClass<out F>): F? {
         structure.getFeature(type)?.let { return it }
         val origin = structure.toEjml().origin
 

examples/src/main/kotlin/space/kscience/kmath/ast/kotlingradSupport.kt

@@ -9,7 +9,7 @@ import space.kscience.kmath.asm.compileToExpression
 import space.kscience.kmath.expressions.derivative
 import space.kscience.kmath.expressions.invoke
 import space.kscience.kmath.expressions.symbol
-import space.kscience.kmath.kotlingrad.toDiffExpression
+import space.kscience.kmath.kotlingrad.toKotlingradExpression
 import space.kscience.kmath.operations.DoubleField
 
 /**
@@ -20,7 +20,7 @@ fun main() {
     val x by symbol
 
     val actualDerivative = "x^2-4*x-44".parseMath()
-        .toDiffExpression(DoubleField)
+        .toKotlingradExpression(DoubleField)
         .derivative(x)
 
 

kmath-ast/src/commonMain/kotlin/space/kscience/kmath/ast/parser.kt

@@ -17,7 +17,7 @@ import com.github.h0tk3y.betterParse.lexer.regexToken
 import com.github.h0tk3y.betterParse.parser.ParseResult
 import com.github.h0tk3y.betterParse.parser.Parser
 import space.kscience.kmath.expressions.MST
-import space.kscience.kmath.expressions.StringSymbol
+import space.kscience.kmath.expressions.Symbol
 import space.kscience.kmath.operations.FieldOperations
 import space.kscience.kmath.operations.GroupOperations
 import space.kscience.kmath.operations.PowerOperations
@@ -43,7 +43,7 @@ public object ArithmeticsEvaluator : Grammar<MST>() {
     private val ws: Token by regexToken("\\s+".toRegex(), ignore = true)
 
     private val number: Parser<MST> by num use { MST.Numeric(text.toDouble()) }
-    private val singular: Parser<MST> by id use { StringSymbol(text) }
+    private val singular: Parser<MST> by id use { Symbol(text) }
 
     private val unaryFunction: Parser<MST> by (id and -lpar and parser(ArithmeticsEvaluator::subSumChain) and -rpar)
         .map { (id, term) -> MST.Unary(id.text, term) }

kmath-ast/src/jvmMain/kotlin/space/kscience/kmath/asm/internal/mapIntrinsics.kt

@@ -7,7 +7,6 @@
 
 package space.kscience.kmath.asm.internal
 
-import space.kscience.kmath.expressions.StringSymbol
 import space.kscience.kmath.expressions.Symbol
 
 /**
@@ -15,4 +14,4 @@ import space.kscience.kmath.expressions.Symbol
  *
  * @author Iaroslav Postovalov
  */
-internal fun <V> Map<Symbol, V>.getOrFail(key: String): V = getValue(StringSymbol(key))
+internal fun <V> Map<Symbol, V>.getOrFail(key: String): V = getValue(Symbol(key))

kmath-commons/src/main/kotlin/space/kscience/kmath/commons/expressions/DerivativeStructureExpression.kt

@@ -103,12 +103,12 @@ public class DerivativeStructureField(
     public override operator fun DerivativeStructure.minus(b: Number): DerivativeStructure = subtract(b.toDouble())
     public override operator fun Number.plus(b: DerivativeStructure): DerivativeStructure = b + this
     public override operator fun Number.minus(b: DerivativeStructure): DerivativeStructure = b - this
-
-    public companion object :
-        AutoDiffProcessor<Double, DerivativeStructure, DerivativeStructureField, Expression<Double>> {
-        public override fun process(function: DerivativeStructureField.() -> DerivativeStructure): DifferentiableExpression<Double> =
-            DerivativeStructureExpression(function)
 }
+
+public object DSProcessor : AutoDiffProcessor<Double, DerivativeStructure, DerivativeStructureField> {
+    public override fun differentiate(
+        function: DerivativeStructureField.() -> DerivativeStructure,
+    ): DerivativeStructureExpression = DerivativeStructureExpression(function)
 }
 
 /**

kmath-commons/src/main/kotlin/space/kscience/kmath/commons/integration/CMGaussRuleIntegrator.kt

@@ -16,7 +16,7 @@ public class CMGaussRuleIntegrator(
     private var type: GaussRule = GaussRule.LEGANDRE,
 ) : UnivariateIntegrator<Double> {
 
-    override fun integrate(integrand: UnivariateIntegrand<Double>): UnivariateIntegrand<Double> {
+    override fun process(integrand: UnivariateIntegrand<Double>): UnivariateIntegrand<Double> {
         val range = integrand.getFeature<IntegrationRange>()?.range
             ?: error("Integration range is not provided")
         val integrator: GaussIntegrator = getIntegrator(range)
@@ -76,8 +76,8 @@ public class CMGaussRuleIntegrator(
             numPoints: Int = 100,
             type: GaussRule = GaussRule.LEGANDRE,
             function: (Double) -> Double,
-        ): Double = CMGaussRuleIntegrator(numPoints, type).integrate(
+        ): Double = CMGaussRuleIntegrator(numPoints, type).process(
             UnivariateIntegrand(function, IntegrationRange(range))
-        ).valueOrNull!!
+        ).value
     }
 }

kmath-commons/src/main/kotlin/space/kscience/kmath/commons/integration/CMIntegrator.kt

@@ -18,7 +18,7 @@ public class CMIntegrator(
     public val integratorBuilder: (Integrand) -> org.apache.commons.math3.analysis.integration.UnivariateIntegrator,
 ) : UnivariateIntegrator<Double> {
 
-    override fun integrate(integrand: UnivariateIntegrand<Double>): UnivariateIntegrand<Double> {
+    override fun process(integrand: UnivariateIntegrand<Double>): UnivariateIntegrand<Double> {
         val integrator = integratorBuilder(integrand)
         val maxCalls = integrand.getFeature<IntegrandMaxCalls>()?.maxCalls ?: defaultMaxCalls
         val remainingCalls = maxCalls - integrand.calls

kmath-commons/src/main/kotlin/space/kscience/kmath/commons/linear/CMMatrix.kt

@@ -95,7 +95,7 @@ public object CMLinearSpace : LinearSpace<Double, DoubleField> {
         v * this
 
     @UnstableKMathAPI
-    override fun <F : StructureFeature> getFeature(structure: Matrix<Double>, type: KClass<out F>): F? {
+    override fun <F : StructureFeature> computeFeature(structure: Matrix<Double>, type: KClass<out F>): F? {
         //Return the feature if it is intrinsic to the structure
         structure.getFeature(type)?.let { return it }
 
@@ -109,22 +109,22 @@ public object CMLinearSpace : LinearSpace<Double, DoubleField> {
                 LupDecompositionFeature<Double> {
                 private val lup by lazy { LUDecomposition(origin) }
                 override val determinant: Double by lazy { lup.determinant }
-                override val l: Matrix<Double> by lazy { CMMatrix(lup.l) + LFeature }
+                override val l: Matrix<Double> by lazy<Matrix<Double>> { CMMatrix(lup.l).withFeature(LFeature) }
-                override val u: Matrix<Double> by lazy { CMMatrix(lup.u) + UFeature }
+                override val u: Matrix<Double> by lazy<Matrix<Double>> { CMMatrix(lup.u).withFeature(UFeature) }
                 override val p: Matrix<Double> by lazy { CMMatrix(lup.p) }
             }
 
             CholeskyDecompositionFeature::class -> object : CholeskyDecompositionFeature<Double> {
-                override val l: Matrix<Double> by lazy {
+                override val l: Matrix<Double> by lazy<Matrix<Double>> {
                     val cholesky = CholeskyDecomposition(origin)
-                    CMMatrix(cholesky.l) + LFeature
+                    CMMatrix(cholesky.l).withFeature(LFeature)
                 }
             }
 
             QRDecompositionFeature::class -> object : QRDecompositionFeature<Double> {
                 private val qr by lazy { QRDecomposition(origin) }
-                override val q: Matrix<Double> by lazy { CMMatrix(qr.q) + OrthogonalFeature }
+                override val q: Matrix<Double> by lazy<Matrix<Double>> { CMMatrix(qr.q).withFeature(OrthogonalFeature) }
-                override val r: Matrix<Double> by lazy { CMMatrix(qr.r) + UFeature }
+                override val r: Matrix<Double> by lazy<Matrix<Double>> { CMMatrix(qr.r).withFeature(UFeature) }
             }
 
             SingularValueDecompositionFeature::class -> object : SingularValueDecompositionFeature<Double> {

kmath-commons/src/main/kotlin/space/kscience/kmath/commons/linear/CMSolver.kt

@@ -6,6 +6,7 @@
 package space.kscience.kmath.commons.linear
 
 import org.apache.commons.math3.linear.*
+import space.kscience.kmath.linear.LinearSolver
 import space.kscience.kmath.linear.Matrix
 import space.kscience.kmath.linear.Point
 
@@ -44,3 +45,12 @@ public fun CMLinearSpace.inverse(
     a: Matrix<Double>,
     decomposition: CMDecomposition = CMDecomposition.LUP,
 ): CMMatrix = solver(a, decomposition).inverse.wrap()
+
+
+public fun CMLinearSpace.solver(decomposition: CMDecomposition): LinearSolver<Double> = object : LinearSolver<Double> {
+    override fun solve(a: Matrix<Double>, b: Matrix<Double>): Matrix<Double> = solve(a, b, decomposition)
+
+    override fun solve(a: Matrix<Double>, b: Point<Double>): Point<Double> = solve(a, b, decomposition)
+
+    override fun inverse(matrix: Matrix<Double>): Matrix<Double> = inverse(matrix, decomposition)
+}

kmath-commons/src/main/kotlin/space/kscience/kmath/commons/optimization/CMOptimizer.kt

@@ -2,7 +2,7 @@
  * Copyright 2018-2021 KMath contributors.
  * Use of this source code is governed by the Apache 2.0 license that can be found in the license/LICENSE.txt file.
  */
-
+@file:OptIn(UnstableKMathAPI::class)
 package space.kscience.kmath.commons.optimization
 
 import org.apache.commons.math3.optim.*
@@ -11,6 +11,10 @@ import org.apache.commons.math3.optim.nonlinear.scalar.MultivariateOptimizer
 import org.apache.commons.math3.optim.nonlinear.scalar.ObjectiveFunction
 import org.apache.commons.math3.optim.nonlinear.scalar.ObjectiveFunctionGradient
 import org.apache.commons.math3.optim.nonlinear.scalar.gradient.NonLinearConjugateGradientOptimizer
+import org.apache.commons.math3.optim.nonlinear.scalar.noderiv.NelderMeadSimplex
+import org.apache.commons.math3.optim.nonlinear.scalar.noderiv.SimplexOptimizer
+import space.kscience.kmath.expressions.Symbol
+import space.kscience.kmath.expressions.SymbolIndexer
 import space.kscience.kmath.expressions.derivative
 import space.kscience.kmath.expressions.withSymbols
 import space.kscience.kmath.misc.UnstableKMathAPI
@@ -21,25 +25,57 @@ import kotlin.reflect.KClass
 public operator fun PointValuePair.component1(): DoubleArray = point
 public operator fun PointValuePair.component2(): Double = value
 
-public class CMOptimizer(public val optimizerBuilder: () -> MultivariateOptimizer): OptimizationFeature{
+public class CMOptimizerEngine(public val optimizerBuilder: () -> MultivariateOptimizer) : OptimizationFeature {
     override fun toString(): String = "CMOptimizer($optimizerBuilder)"
 }
 
-public class CMOptimizerData(public val data: List<OptimizationData>) : OptimizationFeature {
+/**
-    public constructor(vararg data: OptimizationData) : this(data.toList())
+ * Specify a Commons-maths optimization engine
+ */
+public fun FunctionOptimizationBuilder<Double>.cmEngine(optimizerBuilder: () -> MultivariateOptimizer) {
+    addFeature(CMOptimizerEngine(optimizerBuilder))
+}
+
+public class CMOptimizerData(public val data: List<SymbolIndexer.() -> OptimizationData>) : OptimizationFeature {
+    public constructor(vararg data: (SymbolIndexer.() -> OptimizationData)) : this(data.toList())
 
     override fun toString(): String = "CMOptimizerData($data)"
+}
 
+/**
+ * Specify Commons-maths optimization data.
+ */
+public fun FunctionOptimizationBuilder<Double>.cmOptimizationData(data: SymbolIndexer.() -> OptimizationData) {
+    updateFeature<CMOptimizerData> {
+        val newData = (it?.data ?: emptyList()) + data
+        CMOptimizerData(newData)
+    }
+}
+
+public fun FunctionOptimizationBuilder<Double>.simplexSteps(vararg steps: Pair<Symbol, Double>) {
+    //TODO use convergence checker from features
+    cmEngine { SimplexOptimizer(CMOptimizer.defaultConvergenceChecker) }
+    cmOptimizationData { NelderMeadSimplex(mapOf(*steps).toDoubleArray()) }
 }
 
 @OptIn(UnstableKMathAPI::class)
-public class CMOptimization : Optimizer<FunctionOptimization<Double>> {
+public object CMOptimizer : Optimizer<Double, FunctionOptimization<Double>> {
+
+    public const val DEFAULT_RELATIVE_TOLERANCE: Double = 1e-4
+    public const val DEFAULT_ABSOLUTE_TOLERANCE: Double = 1e-4
+    public const val DEFAULT_MAX_ITER: Int = 1000
+
+    public val defaultConvergenceChecker: SimpleValueChecker = SimpleValueChecker(
+        DEFAULT_RELATIVE_TOLERANCE,
+        DEFAULT_ABSOLUTE_TOLERANCE,
+        DEFAULT_MAX_ITER
+    )
+
 
     override suspend fun optimize(
         problem: FunctionOptimization<Double>,
     ): FunctionOptimization<Double> {
-        val startPoint = problem.getFeature<OptimizationStartPoint<Double>>()?.point
+        val startPoint = problem.startPoint
-            ?: error("Starting point not defined in $problem")
 
         val parameters = problem.getFeature<OptimizationParameters>()?.symbols
             ?: problem.getFeature<OptimizationStartPoint<Double>>()?.point?.keys
@@ -53,7 +89,7 @@ public class CMOptimization : Optimizer<FunctionOptimization<Double>> {
                 DEFAULT_MAX_ITER
             )
 
-            val cmOptimizer: MultivariateOptimizer = problem.getFeature<CMOptimizer>()?.optimizerBuilder?.invoke()
+            val cmOptimizer: MultivariateOptimizer = problem.getFeature<CMOptimizerEngine>()?.optimizerBuilder?.invoke()
                 ?: NonLinearConjugateGradientOptimizer(
                     NonLinearConjugateGradientOptimizer.Formula.FLETCHER_REEVES,
                     convergenceChecker
@@ -68,7 +104,7 @@ public class CMOptimization : Optimizer<FunctionOptimization<Double>> {
             addOptimizationData(MaxEval.unlimited())
             addOptimizationData(InitialGuess(startPoint.toDoubleArray()))
 
-            fun exportOptimizationData(): List<OptimizationData> = optimizationData.values.toList()
+            //fun exportOptimizationData(): List<OptimizationData> = optimizationData.values.toList()
 
             val objectiveFunction = ObjectiveFunction {
                 val args = startPoint + it.toMap()
@@ -88,7 +124,9 @@ public class CMOptimization : Optimizer<FunctionOptimization<Double>> {
 
             for (feature in problem.features) {
                 when (feature) {
-                    is CMOptimizerData -> feature.data.forEach { addOptimizationData(it) }
+                    is CMOptimizerData -> feature.data.forEach { dataBuilder ->
+                        addOptimizationData(dataBuilder())
+                    }
                     is FunctionOptimizationTarget -> when (feature) {
                         FunctionOptimizationTarget.MAXIMIZE -> addOptimizationData(GoalType.MAXIMIZE)
                         FunctionOptimizationTarget.MINIMIZE -> addOptimizationData(GoalType.MINIMIZE)
@@ -101,10 +139,4 @@ public class CMOptimization : Optimizer<FunctionOptimization<Double>> {
             return problem.withFeatures(OptimizationResult(point.toMap()), OptimizationValue(value))
         }
     }
-
-    public companion object {
-        public const val DEFAULT_RELATIVE_TOLERANCE: Double = 1e-4
-        public const val DEFAULT_ABSOLUTE_TOLERANCE: Double = 1e-4
-        public const val DEFAULT_MAX_ITER: Int = 1000
-    }
 }

kmath-commons/src/main/kotlin/space/kscience/kmath/commons/optimization/cmFit.kt

@@ -1,75 +0,0 @@
-/*
- * Copyright 2018-2021 KMath contributors.
- * Use of this source code is governed by the Apache 2.0 license that can be found in the license/LICENSE.txt file.
- */
-
-package space.kscience.kmath.commons.optimization
-
-import org.apache.commons.math3.analysis.differentiation.DerivativeStructure
-import space.kscience.kmath.commons.expressions.DerivativeStructureField
-import space.kscience.kmath.expressions.DifferentiableExpression
-import space.kscience.kmath.expressions.Expression
-import space.kscience.kmath.expressions.Symbol
-import space.kscience.kmath.optimization.*
-import space.kscience.kmath.structures.Buffer
-import space.kscience.kmath.structures.asBuffer
-
-/**
- * Generate a chi squared expression from given x-y-sigma data and inline model. Provides automatic differentiation
- */
-public fun FunctionOptimization.Companion.chiSquaredExpression(
-    x: Buffer<Double>,
-    y: Buffer<Double>,
-    yErr: Buffer<Double>,
-    model: DerivativeStructureField.(x: DerivativeStructure) -> DerivativeStructure,
-): DifferentiableExpression<Double> = chiSquaredExpression(DerivativeStructureField, x, y, yErr, model)
-
-/**
- * Generate a chi squared expression from given x-y-sigma data and inline model. Provides automatic differentiation
- */
-public fun FunctionOptimization.Companion.chiSquaredExpression(
-    x: Iterable<Double>,
-    y: Iterable<Double>,
-    yErr: Iterable<Double>,
-    model: DerivativeStructureField.(x: DerivativeStructure) -> DerivativeStructure,
-): DifferentiableExpression<Double> = chiSquaredExpression(
-    DerivativeStructureField,
-    x.toList().asBuffer(),
-    y.toList().asBuffer(),
-    yErr.toList().asBuffer(),
-    model
-)
-
-/**
- * Optimize expression without derivatives
- */
-public suspend fun Expression<Double>.optimize(
-    vararg symbols: Symbol,
-    configuration: CMOptimization.() -> Unit,
-): OptimizationResult<Double> {
-    require(symbols.isNotEmpty()) { "Must provide a list of symbols for optimization" }
-    val problem = CMOptimization(symbols.toList(), configuration)
-    problem.noDerivFunction(this)
-    return problem.optimize()
-}
-
-/**
- * Optimize differentiable expression
- */
-public suspend fun DifferentiableExpression<Double>.optimize(
-    vararg symbols: Symbol,
-    configuration: CMOptimization.() -> Unit,
-): OptimizationResult<Double> = optimizeWith(CMOptimization, symbols = symbols, configuration)
-
-public suspend fun DifferentiableExpression<Double>.minimize(
-    vararg startPoint: Pair<Symbol, Double>,
-    configuration: CMOptimization.() -> Unit = {},
-): OptimizationResult<Double> {
-    val symbols = startPoint.map { it.first }.toTypedArray()
-    return optimize(*symbols){
-        maximize = false
-        initialGuess(startPoint.toMap())
-        function(this@minimize)
-        configuration()
-    }
-}

kmath-commons/src/test/kotlin/space/kscience/kmath/commons/optimization/OptimizeTest.kt

@@ -6,43 +6,38 @@
 package space.kscience.kmath.commons.optimization
 
 import kotlinx.coroutines.runBlocking
+import space.kscience.kmath.commons.expressions.DSProcessor
 import space.kscience.kmath.commons.expressions.DerivativeStructureExpression
 import space.kscience.kmath.distributions.NormalDistribution
+import space.kscience.kmath.expressions.Symbol.Companion.x
+import space.kscience.kmath.expressions.Symbol.Companion.y
 import space.kscience.kmath.expressions.symbol
-import space.kscience.kmath.optimization.FunctionOptimization
+import space.kscience.kmath.optimization.*
 import space.kscience.kmath.stat.RandomGenerator
 import kotlin.math.pow
 import kotlin.test.Test
 
 internal class OptimizeTest {
-    val x by symbol
-    val y by symbol
-
     val normal = DerivativeStructureExpression {
-        exp(-bindSymbol(x).pow(2) / 2) + exp(-bindSymbol(y)
+        exp(-bindSymbol(x).pow(2) / 2) + exp(-bindSymbol(y).pow(2) / 2)
-            .pow(2) / 2)
     }
 
     @Test
     fun testGradientOptimization() = runBlocking {
-        val result = normal.optimize(x, y) {
+        val result = normal.optimizeWith(CMOptimizer, x to 1.0, y to 1.0)
-            initialGuess(x to 1.0, y to 1.0)
+        println(result.resultPoint)
-            //no need to select optimizer. Gradient optimizer is used by default because gradients are provided by function
+        println(result.resultValue)
-        }
-        println(result.point)
-        println(result.value)
     }
 
     @Test
     fun testSimplexOptimization() = runBlocking {
-        val result = normal.optimize(x, y) {
+        val result = normal.optimizeWith(CMOptimizer, x to 1.0, y to 1.0) {
-            initialGuess(x to 1.0, y to 1.0)
             simplexSteps(x to 2.0, y to 0.5)
             //this sets simplex optimizer
         }
 
-        println(result.point)
+        println(result.resultPoint)
-        println(result.value)
+        println(result.resultValue)
     }
 
     @Test
@@ -62,6 +57,11 @@ internal class OptimizeTest {
 
         val yErr = List(x.size) { sigma }
 
+        val model = DSProcessor.differentiate { x1 ->
+            val cWithDefault = bindSymbolOrNull(c) ?: one
+            bindSymbol(a) * x1.pow(2) + bindSymbol(b) * x1 + cWithDefault
+        }
+
         val chi2 = FunctionOptimization.chiSquared(x, y, yErr) { x1 ->
             val cWithDefault = bindSymbolOrNull(c) ?: one
             bindSymbol(a) * x1.pow(2) + bindSymbol(b) * x1 + cWithDefault

kmath-core/src/commonMain/kotlin/space/kscience/kmath/data/ColumnarData.kt

@@ -25,6 +25,9 @@ public interface ColumnarData<out T> {
     public operator fun get(symbol: Symbol): Buffer<T>?
 }
 
+@UnstableKMathAPI
+public val ColumnarData<*>.indices: IntRange get() = 0 until size
+
 /**
  * A zero-copy method to represent a [Structure2D] as a two-column x-y data.
  * There could more than two columns in the structure.

kmath-core/src/commonMain/kotlin/space/kscience/kmath/expressions/DifferentiableExpression.kt

@@ -5,6 +5,8 @@
 
 package space.kscience.kmath.expressions
 
+import space.kscience.kmath.operations.Algebra
+
 /**
  * Represents expression which structure can be differentiated.
  *
@@ -63,7 +65,10 @@ public abstract class FirstDerivativeExpression<T> : DifferentiableExpression<T>
 
 /**
  * A factory that converts an expression in autodiff variables to a [DifferentiableExpression]
+ * @param T type of the constants for the expression
+ * @param I type of the actual expression state
+ * @param A type of expression algebra
  */
-public fun interface AutoDiffProcessor<T, I, A : ExpressionAlgebra<T, I>, out R : Expression<T>> {
+public fun interface AutoDiffProcessor<T, I, A : Algebra<I>> {
-    public fun process(function: A.() -> I): DifferentiableExpression<T>
+    public fun differentiate(function: A.() -> I): DifferentiableExpression<T>
 }

kmath-core/src/commonMain/kotlin/space/kscience/kmath/linear/LinearSolver.kt

@@ -5,8 +5,6 @@
 
 package space.kscience.kmath.linear
 
-import space.kscience.kmath.nd.as1D
-
 /**
  * A group of methods to solve for *X* in equation *X = A <sup>-1</sup> &middot; B*, where *A* and *B* are matrices or
  * vectors.
@@ -30,20 +28,3 @@ public interface LinearSolver<T : Any> {
     public fun inverse(matrix: Matrix<T>): Matrix<T>
 }
 
-/**
- * Convert matrix to vector if it is possible.
- */
-public fun <T : Any> Matrix<T>.asVector(): Point<T> =
-    if (this.colNum == 1)
-        as1D()
-    else
-        error("Can't convert matrix with more than one column to vector")
-
-/**
- * Creates an n &times; 1 [VirtualMatrix], where n is the size of the given buffer.
- *
- * @param T the type of elements contained in the buffer.
- * @receiver a buffer.
- * @return the new matrix.
- */
-public fun <T : Any> Point<T>.asMatrix(): VirtualMatrix<T> = VirtualMatrix(size, 1) { i, _ -> get(i) }

kmath-core/src/commonMain/kotlin/space/kscience/kmath/linear/LinearSpace.kt

@@ -164,7 +164,7 @@ public interface LinearSpace<T : Any, out A : Ring<T>> {
     public operator fun T.times(v: Point<T>): Point<T> = v * this
 
     /**
-     * Get a feature of the structure in this scope. Structure features take precedence other context features
+     * Compute a feature of the structure in this scope. Structure features take precedence other context features
      *
      * @param F the type of feature.
      * @param structure the structure.
@@ -172,7 +172,7 @@ public interface LinearSpace<T : Any, out A : Ring<T>> {
      * @return a feature object or `null` if it isn't present.
      */
     @UnstableKMathAPI
-    public fun <F : StructureFeature> getFeature(structure: Matrix<T>, type: KClass<out F>): F? = structure.getFeature(type)
+    public fun <F : StructureFeature> computeFeature(structure: Matrix<T>, type: KClass<out F>): F? = structure.getFeature(type)
 
     public companion object {
 
@@ -184,7 +184,7 @@ public interface LinearSpace<T : Any, out A : Ring<T>> {
             bufferFactory: BufferFactory<T> = Buffer.Companion::boxing,
         ): LinearSpace<T, A> = BufferedLinearSpace(algebra, bufferFactory)
 
-        public val real: LinearSpace<Double, DoubleField> = buffered(DoubleField, ::DoubleBuffer)
+        public val double: LinearSpace<Double, DoubleField> = buffered(DoubleField, ::DoubleBuffer)
 
         /**
          * Automatic buffered matrix, unboxed if it is possible
@@ -202,9 +202,27 @@ public interface LinearSpace<T : Any, out A : Ring<T>> {
  * @return a feature object or `null` if it isn't present.
  */
 @UnstableKMathAPI
-public inline fun <T : Any, reified F : StructureFeature> LinearSpace<T, *>.getFeature(structure: Matrix<T>): F? =
+public inline fun <T : Any, reified F : StructureFeature> LinearSpace<T, *>.computeFeature(structure: Matrix<T>): F? =
-    getFeature(structure, F::class)
+    computeFeature(structure, F::class)
 
 
-public operator fun <LS : LinearSpace<*, *>, R> LS.invoke(block: LS.() -> R): R = run(block)
+public inline operator fun <LS : LinearSpace<*, *>, R> LS.invoke(block: LS.() -> R): R = run(block)
 
+
+/**
+ * Convert matrix to vector if it is possible.
+ */
+public fun <T : Any> Matrix<T>.asVector(): Point<T> =
+    if (this.colNum == 1)
+        as1D()
+    else
+        error("Can't convert matrix with more than one column to vector")
+
+/**
+ * Creates an n &times; 1 [VirtualMatrix], where n is the size of the given buffer.
+ *
+ * @param T the type of elements contained in the buffer.
+ * @receiver a buffer.
+ * @return the new matrix.
+ */
+public fun <T : Any> Point<T>.asMatrix(): VirtualMatrix<T> = VirtualMatrix(size, 1) { i, _ -> get(i) }

kmath-core/src/commonMain/kotlin/space/kscience/kmath/linear/LupDecomposition.kt

@@ -5,6 +5,7 @@
 
 package space.kscience.kmath.linear
 
+import space.kscience.kmath.misc.PerformancePitfall
 import space.kscience.kmath.misc.UnstableKMathAPI
 import space.kscience.kmath.nd.getFeature
 import space.kscience.kmath.operations.*
@@ -34,7 +35,7 @@ public class LupDecomposition<T : Any>(
             j == i -> elementContext.one
             else -> elementContext.zero
         }
-    } + LFeature
+    }.withFeature(LFeature)
 
 
     /**
@@ -44,7 +45,7 @@ public class LupDecomposition<T : Any>(
      */
     override val u: Matrix<T> = VirtualMatrix(lu.shape[0], lu.shape[1]) { i, j ->
         if (j >= i) lu[i, j] else elementContext.zero
-    } + UFeature
+    }.withFeature(UFeature)
 
     /**
      * Returns the P rows permutation matrix.
@@ -82,7 +83,7 @@ public fun <T : Comparable<T>> LinearSpace<T, Field<T>>.lup(
     val m = matrix.colNum
     val pivot = IntArray(matrix.rowNum)
 
-    //TODO just waits for KEEP-176
+    //TODO just waits for multi-receivers
     BufferAccessor2D(matrix.rowNum, matrix.colNum, factory).run {
         elementAlgebra {
             val lu = create(matrix)
@@ -156,10 +157,13 @@ public inline fun <reified T : Comparable<T>> LinearSpace<T, Field<T>>.lup(
     noinline checkSingular: (T) -> Boolean,
 ): LupDecomposition<T> = lup(MutableBuffer.Companion::auto, matrix, checkSingular)
 
-public fun LinearSpace<Double, DoubleField>.lup(matrix: Matrix<Double>): LupDecomposition<Double> =
+public fun LinearSpace<Double, DoubleField>.lup(
-    lup(::DoubleBuffer, matrix) { it < 1e-11 }
+    matrix: Matrix<Double>,
+    singularityThreshold: Double = 1e-11,
+): LupDecomposition<Double> =
+    lup(::DoubleBuffer, matrix) { it < singularityThreshold }
 
-public fun <T : Any> LupDecomposition<T>.solveWithLup(
+internal fun <T : Any> LupDecomposition<T>.solve(
     factory: MutableBufferFactory<T>,
     matrix: Matrix<T>,
 ): Matrix<T> {
@@ -207,41 +211,24 @@ public fun <T : Any> LupDecomposition<T>.solveWithLup(
     }
 }
 
-public inline fun <reified T : Any> LupDecomposition<T>.solveWithLup(matrix: Matrix<T>): Matrix<T> =
-    solveWithLup(MutableBuffer.Companion::auto, matrix)
-
 /**
- * Solves a system of linear equations *ax = b** using LUP decomposition.
+ * Produce a generic solver based on LUP decomposition
  */
+@PerformancePitfall()
 @OptIn(UnstableKMathAPI::class)
-public inline fun <reified T : Comparable<T>> LinearSpace<T, Field<T>>.solveWithLup(
+public fun <T : Comparable<T>, F : Field<T>> LinearSpace<T, F>.lupSolver(
-    a: Matrix<T>,
+    bufferFactory: MutableBufferFactory<T>,
-    b: Matrix<T>,
+    singularityCheck: (T) -> Boolean,
-    noinline bufferFactory: MutableBufferFactory<T> = MutableBuffer.Companion::auto,
+): LinearSolver<T> = object : LinearSolver<T> {
-    noinline checkSingular: (T) -> Boolean,
+    override fun solve(a: Matrix<T>, b: Matrix<T>): Matrix<T> {
-): Matrix<T> {
         // Use existing decomposition if it is provided by matrix
-    val decomposition = a.getFeature() ?: lup(bufferFactory, a, checkSingular)
+        val decomposition = a.getFeature() ?: lup(bufferFactory, a, singularityCheck)
-    return decomposition.solveWithLup(bufferFactory, b)
+        return decomposition.solve(bufferFactory, b)
     }
 
-public inline fun <reified T : Comparable<T>> LinearSpace<T, Field<T>>.inverseWithLup(
+    override fun inverse(matrix: Matrix<T>): Matrix<T> = solve(matrix, one(matrix.rowNum, matrix.colNum))
-    matrix: Matrix<T>,
-    noinline bufferFactory: MutableBufferFactory<T> = MutableBuffer.Companion::auto,
-    noinline checkSingular: (T) -> Boolean,
-): Matrix<T> = solveWithLup(matrix, one(matrix.rowNum, matrix.colNum), bufferFactory, checkSingular)
-
-
-@OptIn(UnstableKMathAPI::class)
-public fun LinearSpace<Double, DoubleField>.solveWithLup(a: Matrix<Double>, b: Matrix<Double>): Matrix<Double> {
-    // Use existing decomposition if it is provided by matrix
-    val bufferFactory: MutableBufferFactory<Double> = ::DoubleBuffer
-    val decomposition: LupDecomposition<Double> = a.getFeature() ?: lup(bufferFactory, a) { it < 1e-11 }
-    return decomposition.solveWithLup(bufferFactory, b)
 }
 
-/**
+@PerformancePitfall
- * Inverses a square matrix using LUP decomposition. Non square matrix will throw a error.
+public fun LinearSpace<Double, DoubleField>.lupSolver(singularityThreshold: Double = 1e-11): LinearSolver<Double> =
- */
+    lupSolver(::DoubleBuffer) { it < singularityThreshold }
-public fun LinearSpace<Double, DoubleField>.inverseWithLup(matrix: Matrix<Double>): Matrix<Double> =
-    solveWithLup(matrix, one(matrix.rowNum, matrix.colNum))

kmath-core/src/commonMain/kotlin/space/kscience/kmath/linear/MatrixBuilder.kt

@@ -7,6 +7,8 @@ package space.kscience.kmath.linear
 
 import space.kscience.kmath.misc.UnstableKMathAPI
 import space.kscience.kmath.operations.Ring
+import space.kscience.kmath.structures.BufferAccessor2D
+import space.kscience.kmath.structures.MutableBuffer
 
 public class MatrixBuilder<T : Any, out A : Ring<T>>(
     public val linearSpace: LinearSpace<T, A>,
@@ -46,3 +48,30 @@ public inline fun <T : Any> LinearSpace<T, Ring<T>>.column(
 ): Matrix<T> = buildMatrix(size, 1) { i, _ -> builder(i) }
 
 public fun <T : Any> LinearSpace<T, Ring<T>>.column(vararg values: T): Matrix<T> = column(values.size, values::get)
+
+public object SymmetricMatrixFeature : MatrixFeature
+
+/**
+ * Naive implementation of a symmetric matrix builder, that adds a [SymmetricMatrixFeature] tag. The resulting matrix contains
+ * full `size^2` number of elements, but caches elements during calls to save [builder] calls. [builder] is always called in the
+ * upper triangle region meaning that `i <= j`
+ */
+public fun <T : Any, A : Ring<T>> MatrixBuilder<T, A>.symmetric(
+    builder: (i: Int, j: Int) -> T,
+): Matrix<T> {
+    require(columns == rows) { "In order to build symmetric matrix, number of rows $rows should be equal to number of columns $columns" }
+    return with(BufferAccessor2D<T?>(rows, rows, MutableBuffer.Companion::boxing)) {
+        val cache = factory(rows * rows) { null }
+        linearSpace.buildMatrix(rows, rows) { i, j ->
+            val cached = cache[i, j]
+            if (cached == null) {
+                val value = if (i <= j) builder(i, j) else builder(j, i)
+                cache[i, j] = value
+                cache[j, i] = value
+                value
+            } else {
+                cached
+            }
+        }.withFeature(SymmetricMatrixFeature)
+    }
+}

kmath-core/src/commonMain/kotlin/space/kscience/kmath/linear/MatrixWrapper.kt

@@ -5,6 +5,7 @@
 
 package space.kscience.kmath.linear
 
+import space.kscience.kmath.misc.FeatureSet
 import space.kscience.kmath.misc.UnstableKMathAPI
 import space.kscience.kmath.nd.StructureFeature
 import space.kscience.kmath.nd.getFeature
@@ -18,7 +19,7 @@ import kotlin.reflect.KClass
  */
 public class MatrixWrapper<out T : Any> internal constructor(
     public val origin: Matrix<T>,
-    public val features: Set<MatrixFeature>,
+    public val features: FeatureSet<StructureFeature>,
 ) : Matrix<T> by origin {
 
     /**
@@ -27,8 +28,7 @@ public class MatrixWrapper<out T : Any> internal constructor(
     @UnstableKMathAPI
     @Suppress("UNCHECKED_CAST")
     public override fun <F : StructureFeature> getFeature(type: KClass<out F>): F? =
-        features.singleOrNull(type::isInstance) as? F
+        features.getFeature(type) ?: origin.getFeature(type)
-            ?: origin.getFeature(type)
 
     public override fun toString(): String = "MatrixWrapper(matrix=$origin, features=$features)"
 }
@@ -44,20 +44,23 @@ public val <T : Any> Matrix<T>.origin: Matrix<T>
 /**
  * Add a single feature to a [Matrix]
  */
-public operator fun <T : Any> Matrix<T>.plus(newFeature: MatrixFeature): MatrixWrapper<T> = if (this is MatrixWrapper) {
+public fun <T : Any> Matrix<T>.withFeature(newFeature: MatrixFeature): MatrixWrapper<T> = if (this is MatrixWrapper) {
-    MatrixWrapper(origin, features + newFeature)
+    MatrixWrapper(origin, features.with(newFeature))
 } else {
-    MatrixWrapper(this, setOf(newFeature))
+    MatrixWrapper(this, FeatureSet.of(newFeature))
 }
 
+@Deprecated("To be replaced by withFeature")
+public operator fun <T : Any> Matrix<T>.plus(newFeature: MatrixFeature): MatrixWrapper<T> = withFeature(newFeature)
+
 /**
  * Add a collection of features to a [Matrix]
  */
-public operator fun <T : Any> Matrix<T>.plus(newFeatures: Collection<MatrixFeature>): MatrixWrapper<T> =
+public fun <T : Any> Matrix<T>.withFeatures(newFeatures: Iterable<MatrixFeature>): MatrixWrapper<T> =
     if (this is MatrixWrapper) {
-        MatrixWrapper(origin, features + newFeatures)
+        MatrixWrapper(origin, features.with(newFeatures))
     } else {
-        MatrixWrapper(this, newFeatures.toSet())
+        MatrixWrapper(this, FeatureSet.of(newFeatures))
     }
 
 /**
@@ -68,7 +71,7 @@ public fun <T : Any> LinearSpace<T, Ring<T>>.one(
     columns: Int,
 ): Matrix<T> = VirtualMatrix(rows, columns) { i, j ->
     if (i == j) elementAlgebra.one else elementAlgebra.zero
-} + UnitFeature
+}.withFeature(UnitFeature)
 
 
 /**
@@ -79,7 +82,7 @@ public fun <T : Any> LinearSpace<T, Ring<T>>.zero(
     columns: Int,
 ): Matrix<T> = VirtualMatrix(rows, columns) { _, _ ->
     elementAlgebra.zero
-} + ZeroFeature
+}.withFeature(ZeroFeature)
 
 public class TransposedFeature<out T : Any>(public val original: Matrix<T>) : MatrixFeature
 
@@ -90,4 +93,4 @@ public class TransposedFeature<out T : Any>(public val original: Matrix<T>) : Ma
 public fun <T : Any> Matrix<T>.transpose(): Matrix<T> = getFeature<TransposedFeature<T>>()?.original ?: VirtualMatrix(
     colNum,
     rowNum,
-) { i, j -> get(j, i) } + TransposedFeature(this)
+) { i, j -> get(j, i) }.withFeature(TransposedFeature(this))

kmath-core/src/commonMain/kotlin/space/kscience/kmath/linear/VirtualMatrix.kt

@@ -20,3 +20,6 @@ public class VirtualMatrix<out T : Any>(
 
     override operator fun get(i: Int, j: Int): T = generator(i, j)
 }
+
+public fun <T : Any> MatrixBuilder<T, *>.virtual(generator: (i: Int, j: Int) -> T): VirtualMatrix<T> =
+    VirtualMatrix(rows, columns, generator)

kmath-core/src/commonMain/kotlin/space/kscience/kmath/linear/symmetric.kt

@@ -1,34 +0,0 @@
-/*
- * Copyright 2018-2021 KMath contributors.
- * Use of this source code is governed by the Apache 2.0 license that can be found in the license/LICENSE.txt file.
- */
-
-package space.kscience.kmath.linear
-
-import space.kscience.kmath.structures.BufferAccessor2D
-import space.kscience.kmath.structures.MutableBuffer
-
-public object SymmetricMatrixFeature : MatrixFeature
-
-/**
- * Naive implementation of a symmetric matrix builder, that adds a [SymmetricMatrixFeature] tag. The resulting matrix contains
- * full `size^2` number of elements, but caches elements during calls to save [builder] calls. [builder] is always called in the
- * upper triangle region meaning that `i <= j`
- */
-public fun <T : Any, LS : LinearSpace<T, *>> LS.buildSymmetricMatrix(
-    size: Int,
-    builder: (i: Int, j: Int) -> T,
-): Matrix<T> = BufferAccessor2D<T?>(size, size, MutableBuffer.Companion::boxing).run {
-    val cache = factory(size * size) { null }
-    buildMatrix(size, size) { i, j ->
-        val cached = cache[i, j]
-        if (cached == null) {
-            val value = if (i <= j) builder(i, j) else builder(j, i)
-            cache[i, j] = value
-            cache[j, i] = value
-            value
-        } else {
-            cached
-        }
-    } + SymmetricMatrixFeature
-}

kmath-core/src/commonMain/kotlin/space/kscience/kmath/misc/Featured.kt

@@ -11,29 +11,44 @@ import kotlin.reflect.KClass
  * A entity that contains a set of features defined by their types
  */
 public interface Featured<F : Any> {
-    public fun <T : F> getFeature(type: KClass<out T>): T?
+    public fun <T : F> getFeature(type: FeatureKey<T>): T?
+}
+
+public typealias FeatureKey<T> = KClass<out T>
+
+public interface Feature<F: Feature<F>> {
+
+    /**
+     * A key used for extraction
+     */
+    @Suppress("UNCHECKED_CAST")
+    public val key: FeatureKey<F> get() = this::class as FeatureKey<F>
 }
 
 /**
  * A container for a set of features
  */
-public class FeatureSet<F : Any> private constructor(public val features: Map<KClass<out F>, F>) : Featured<F> {
+public class FeatureSet<F : Feature<F>> private constructor(public val features: Map<FeatureKey<F>, F>) : Featured<F> {
     @Suppress("UNCHECKED_CAST")
-    override fun <T : F> getFeature(type: KClass<out T>): T? = features[type] as? T
+    override fun <T : F> getFeature(type: FeatureKey<T>): T? = features[type] as? T
 
     public inline fun <reified T : F> getFeature(): T? = getFeature(T::class)
 
-    public fun <T : F> with(feature: T, type: KClass<out T> = feature::class): FeatureSet<F> =
+    public fun <T : F> with(feature: T, type: FeatureKey<F> = feature.key): FeatureSet<F> =
         FeatureSet(features + (type to feature))
 
     public fun with(other: FeatureSet<F>): FeatureSet<F> = FeatureSet(features + other.features)
 
     public fun with(vararg otherFeatures: F): FeatureSet<F> =
-        FeatureSet(features + otherFeatures.associateBy { it::class })
+        FeatureSet(features + otherFeatures.associateBy { it.key })
+
+    public fun with(otherFeatures: Iterable<F>): FeatureSet<F> =
+        FeatureSet(features + otherFeatures.associateBy { it.key })
 
     public operator fun iterator(): Iterator<F> = features.values.iterator()
 
     public companion object {
-        public fun <F : Any> of(vararg features: F): FeatureSet<F> = FeatureSet(features.associateBy { it::class })
+        public fun <F : Feature<F>> of(vararg features: F): FeatureSet<F> = FeatureSet(features.associateBy { it.key })
+        public fun <F : Feature<F>> of(features: Iterable<F>): FeatureSet<F> = FeatureSet(features.associateBy { it.key })
     }
 }

kmath-core/src/commonMain/kotlin/space/kscience/kmath/misc/annotations.kt

@@ -12,7 +12,7 @@ package space.kscience.kmath.misc
  * in some way that may break some code.
  */
 @MustBeDocumented
-@Retention(value = AnnotationRetention.BINARY)
+@Retention(value = AnnotationRetention.SOURCE)
 @RequiresOptIn("This API is unstable and could change in future", RequiresOptIn.Level.WARNING)
 public annotation class UnstableKMathAPI
 
@@ -21,7 +21,7 @@ public annotation class UnstableKMathAPI
  * slow-down in some cases. Refer to the documentation and benchmark it to be sure.
  */
 @MustBeDocumented
-@Retention(value = AnnotationRetention.BINARY)
+@Retention(value = AnnotationRetention.SOURCE)
 @RequiresOptIn(
     "Refer to the documentation to use this API in performance-critical code",
     RequiresOptIn.Level.WARNING

kmath-core/src/commonMain/kotlin/space/kscience/kmath/nd/StructureND.kt

@@ -5,6 +5,8 @@
 
 package space.kscience.kmath.nd
 
+import space.kscience.kmath.misc.Feature
+import space.kscience.kmath.misc.Featured
 import space.kscience.kmath.misc.PerformancePitfall
 import space.kscience.kmath.misc.UnstableKMathAPI
 import space.kscience.kmath.structures.Buffer
@@ -13,7 +15,7 @@ import kotlin.jvm.JvmName
 import kotlin.native.concurrent.ThreadLocal
 import kotlin.reflect.KClass
 
-public interface StructureFeature
+public interface StructureFeature : Feature<StructureFeature>
 
 /**
  * Represents n-dimensional structure, i.e. multidimensional container of items of the same type and size. The number
@@ -24,7 +26,7 @@ public interface StructureFeature
  *
  * @param T the type of items.
  */
-public interface StructureND<out T> {
+public interface StructureND<out T> : Featured<StructureFeature> {
     /**
      * The shape of structure, i.e. non-empty sequence of non-negative integers that specify sizes of dimensions of
      * this structure.
@@ -57,7 +59,7 @@ public interface StructureND<out T> {
      * If the feature is not present, null is returned.
      */
     @UnstableKMathAPI
-    public fun <F : StructureFeature> getFeature(type: KClass<out F>): F? = null
+    override fun <F : StructureFeature> getFeature(type: KClass<out F>): F? = null
 
     public companion object {
         /**

kmath-core/src/commonMain/kotlin/space/kscience/kmath/structures/BufferAccessor2D.kt

@@ -14,30 +14,30 @@ import space.kscience.kmath.nd.as2D
  * A context that allows to operate on a [MutableBuffer] as on 2d array
  */
 internal class BufferAccessor2D<T>(
-    public val rowNum: Int,
+    val rowNum: Int,
-    public val colNum: Int,
+    val colNum: Int,
     val factory: MutableBufferFactory<T>,
 ) {
-    public operator fun Buffer<T>.get(i: Int, j: Int): T = get(i * colNum + j)
+    operator fun Buffer<T>.get(i: Int, j: Int): T = get(i * colNum + j)
 
-    public operator fun MutableBuffer<T>.set(i: Int, j: Int, value: T) {
+    operator fun MutableBuffer<T>.set(i: Int, j: Int, value: T) {
         set(i * colNum + j, value)
     }
 
-    public inline fun create(crossinline init: (i: Int, j: Int) -> T): MutableBuffer<T> =
+    inline fun create(crossinline init: (i: Int, j: Int) -> T): MutableBuffer<T> =
         factory(rowNum * colNum) { offset -> init(offset / colNum, offset % colNum) }
 
-    public fun create(mat: Structure2D<T>): MutableBuffer<T> = create { i, j -> mat[i, j] }
+    fun create(mat: Structure2D<T>): MutableBuffer<T> = create { i, j -> mat[i, j] }
 
     //TODO optimize wrapper
-    public fun MutableBuffer<T>.collect(): Structure2D<T> = StructureND.buffered(
+    fun MutableBuffer<T>.collect(): Structure2D<T> = StructureND.buffered(
         DefaultStrides(intArrayOf(rowNum, colNum)),
         factory
     ) { (i, j) ->
         get(i, j)
     }.as2D()
 
-    public inner class Row(public val buffer: MutableBuffer<T>, public val rowIndex: Int) : MutableBuffer<T> {
+    inner class Row(val buffer: MutableBuffer<T>, val rowIndex: Int) : MutableBuffer<T> {
         override val size: Int get() = colNum
 
         override operator fun get(index: Int): T = buffer[rowIndex, index]
@@ -54,5 +54,5 @@ internal class BufferAccessor2D<T>(
     /**
      * Get row
      */
-    public fun MutableBuffer<T>.row(i: Int): Row = Row(this, i)
+    fun MutableBuffer<T>.row(i: Int): Row = Row(this, i)
 }

kmath-core/src/commonTest/kotlin/space/kscience/kmath/linear/DoubleLUSolverTest.kt

@@ -22,14 +22,14 @@ class DoubleLUSolverTest {
 
     @Test
     fun testInvertOne() {
-        val matrix = LinearSpace.real.one(2, 2)
+        val matrix = LinearSpace.double.one(2, 2)
-        val inverted = LinearSpace.real.inverseWithLup(matrix)
+        val inverted = LinearSpace.double.lupSolver().inverse(matrix)
         assertMatrixEquals(matrix, inverted)
     }
 
     @Test
     fun testDecomposition() {
-        LinearSpace.real.run {
+        LinearSpace.double.run {
             val matrix = matrix(2, 2)(
                 3.0, 1.0,
                 2.0, 3.0
@@ -46,14 +46,14 @@ class DoubleLUSolverTest {
 
     @Test
     fun testInvert() {
-        val matrix = LinearSpace.real.matrix(2, 2)(
+        val matrix = LinearSpace.double.matrix(2, 2)(
             3.0, 1.0,
             1.0, 3.0
         )
 
-        val inverted = LinearSpace.real.inverseWithLup(matrix)
+        val inverted = LinearSpace.double.lupSolver().inverse(matrix)
 
-        val expected = LinearSpace.real.matrix(2, 2)(
+        val expected = LinearSpace.double.matrix(2, 2)(
             0.375, -0.125,
             -0.125, 0.375
         )

kmath-core/src/commonTest/kotlin/space/kscience/kmath/linear/MatrixTest.kt

@@ -19,14 +19,14 @@ import kotlin.test.assertTrue
 class MatrixTest {
     @Test
     fun testTranspose() {
-        val matrix = LinearSpace.real.one(3, 3)
+        val matrix = LinearSpace.double.one(3, 3)
         val transposed = matrix.transpose()
         assertTrue { StructureND.contentEquals(matrix, transposed) }
     }
 
     @Test
     fun testBuilder() {
-        val matrix = LinearSpace.real.matrix(2, 3)(
+        val matrix = LinearSpace.double.matrix(2, 3)(
             1.0, 0.0, 0.0,
             0.0, 1.0, 2.0
         )
@@ -48,7 +48,7 @@ class MatrixTest {
         infix fun Matrix<Double>.pow(power: Int): Matrix<Double> {
             var res = this
             repeat(power - 1) {
-                res = LinearSpace.real.run { res dot this@pow }
+                res = LinearSpace.double.run { res dot this@pow }
             }
             return res
         }
@@ -61,7 +61,7 @@ class MatrixTest {
         val firstMatrix = StructureND.auto(2, 3) { (i, j) -> (i + j).toDouble() }.as2D()
         val secondMatrix = StructureND.auto(3, 2) { (i, j) -> (i + j).toDouble() }.as2D()
 
-        LinearSpace.real.run {
+        LinearSpace.double.run {
 //            val firstMatrix = produce(2, 3) { i, j -> (i + j).toDouble() }
 //            val secondMatrix = produce(3, 2) { i, j -> (i + j).toDouble() }
             val result = firstMatrix dot secondMatrix

kmath-core/src/commonTest/kotlin/space/kscience/kmath/structures/NumberNDFieldTest.kt

@@ -40,7 +40,7 @@ class NumberNDFieldTest {
     @Test
     fun testGeneration() {
 
-        val array = LinearSpace.real.buildMatrix(3, 3) { i, j ->
+        val array = LinearSpace.double.buildMatrix(3, 3) { i, j ->
             (i * 10 + j).toDouble()
         }
 

kmath-dimensions/src/commonMain/kotlin/space/kscience/kmath/dimensions/Wrappers.kt

@@ -151,7 +151,7 @@ public value class DMatrixContext<T : Any, out A : Ring<T>>(public val context:
         context.run { (this@transpose as Matrix<T>).transpose() }.coerce()
 
     public companion object {
-        public val real: DMatrixContext<Double, DoubleField> = DMatrixContext(LinearSpace.real)
+        public val real: DMatrixContext<Double, DoubleField> = DMatrixContext(LinearSpace.double)
     }
 }
 

kmath-ejml/src/main/kotlin/space/kscience/kmath/ejml/_generated.kt

@@ -1,995 +0,0 @@
-/*
- * Copyright 2018-2021 KMath contributors.
- * Use of this source code is governed by the Apache 2.0 license that can be found in the license/LICENSE.txt file.
- */
-
-/* This file is generated with buildSrc/src/main/kotlin/space/kscience/kmath/ejml/codegen/ejmlCodegen.kt */
-
-package space.kscience.kmath.ejml
-
-import org.ejml.data.*
-import org.ejml.dense.row.CommonOps_DDRM
-import org.ejml.dense.row.CommonOps_FDRM
-import org.ejml.dense.row.factory.DecompositionFactory_DDRM
-import org.ejml.dense.row.factory.DecompositionFactory_FDRM
-import org.ejml.sparse.FillReducing
-import org.ejml.sparse.csc.CommonOps_DSCC
-import org.ejml.sparse.csc.CommonOps_FSCC
-import org.ejml.sparse.csc.factory.DecompositionFactory_DSCC
-import org.ejml.sparse.csc.factory.DecompositionFactory_FSCC
-import org.ejml.sparse.csc.factory.LinearSolverFactory_DSCC
-import org.ejml.sparse.csc.factory.LinearSolverFactory_FSCC
-import space.kscience.kmath.linear.*
-import space.kscience.kmath.linear.Matrix
-import space.kscience.kmath.misc.UnstableKMathAPI
-import space.kscience.kmath.nd.StructureFeature
-import space.kscience.kmath.operations.DoubleField
-import space.kscience.kmath.operations.FloatField
-import space.kscience.kmath.operations.invoke
-import space.kscience.kmath.structures.DoubleBuffer
-import space.kscience.kmath.structures.FloatBuffer
-import kotlin.reflect.KClass
-import kotlin.reflect.cast
-
-/**
- * [EjmlVector] specialization for [Double].
- */
-public class EjmlDoubleVector<out M : DMatrix>(public override val origin: M) : EjmlVector<Double, M>(origin) {
-    init {
-        require(origin.numRows == 1) { "The origin matrix must have only one row to form a vector" }
-    }
-
-    public override operator fun get(index: Int): Double = origin[0, index]
-}
-
-/**
- * [EjmlVector] specialization for [Float].
- */
-public class EjmlFloatVector<out M : FMatrix>(public override val origin: M) : EjmlVector<Float, M>(origin) {
-    init {
-        require(origin.numRows == 1) { "The origin matrix must have only one row to form a vector" }
-    }
-
-    public override operator fun get(index: Int): Float = origin[0, index]
-}
-
-/**
- * [EjmlMatrix] specialization for [Double].
- */
-public class EjmlDoubleMatrix<out M : DMatrix>(public override val origin: M) : EjmlMatrix<Double, M>(origin) {
-    public override operator fun get(i: Int, j: Int): Double = origin[i, j]
-}
-
-/**
- * [EjmlMatrix] specialization for [Float].
- */
-public class EjmlFloatMatrix<out M : FMatrix>(public override val origin: M) : EjmlMatrix<Float, M>(origin) {
-    public override operator fun get(i: Int, j: Int): Float = origin[i, j]
-}
-
-/**
- * [EjmlLinearSpace] implementation based on [CommonOps_DDRM], [DecompositionFactory_DDRM] operations and
- * [DMatrixRMaj] matrices.
- */
-public object EjmlLinearSpaceDDRM : EjmlLinearSpace<Double, DoubleField, DMatrixRMaj>() {
-    /**
-     * The [DoubleField] reference.
-     */
-    public override val elementAlgebra: DoubleField get() = DoubleField
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Matrix<Double>.toEjml(): EjmlDoubleMatrix<DMatrixRMaj> = when {
-        this is EjmlDoubleMatrix<*> && origin is DMatrixRMaj -> this as EjmlDoubleMatrix<DMatrixRMaj>
-        else -> buildMatrix(rowNum, colNum) { i, j -> get(i, j) }
-    }
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Point<Double>.toEjml(): EjmlDoubleVector<DMatrixRMaj> = when {
-        this is EjmlDoubleVector<*> && origin is DMatrixRMaj -> this as EjmlDoubleVector<DMatrixRMaj>
-        else -> EjmlDoubleVector(DMatrixRMaj(size, 1).also {
-            (0 until it.numRows).forEach { row -> it[row, 0] = get(row) }
-        })
-    }
-
-    public override fun buildMatrix(
-        rows: Int,
-        columns: Int,
-        initializer: DoubleField.(i: Int, j: Int) -> Double,
-    ): EjmlDoubleMatrix<DMatrixRMaj> = DMatrixRMaj(rows, columns).also {
-        (0 until rows).forEach { row ->
-            (0 until columns).forEach { col -> it[row, col] = elementAlgebra.initializer(row, col) }
-        }
-    }.wrapMatrix()
-
-    public override fun buildVector(
-        size: Int,
-        initializer: DoubleField.(Int) -> Double,
-    ): EjmlDoubleVector<DMatrixRMaj> = EjmlDoubleVector(DMatrixRMaj(size, 1).also {
-        (0 until it.numRows).forEach { row -> it[row, 0] = elementAlgebra.initializer(row) }
-    })
-
-    private fun <T : DMatrix> T.wrapMatrix() = EjmlDoubleMatrix(this)
-    private fun <T : DMatrix> T.wrapVector() = EjmlDoubleVector(this)
-
-    public override fun Matrix<Double>.unaryMinus(): Matrix<Double> = this * elementAlgebra { -one }
-
-    public override fun Matrix<Double>.dot(other: Matrix<Double>): EjmlDoubleMatrix<DMatrixRMaj> {
-        val out = DMatrixRMaj(1, 1)
-        CommonOps_DDRM.mult(toEjml().origin, other.toEjml().origin, out)
-        return out.wrapMatrix()
-    }
-
-    public override fun Matrix<Double>.dot(vector: Point<Double>): EjmlDoubleVector<DMatrixRMaj> {
-        val out = DMatrixRMaj(1, 1)
-        CommonOps_DDRM.mult(toEjml().origin, vector.toEjml().origin, out)
-        return out.wrapVector()
-    }
-
-    public override operator fun Matrix<Double>.minus(other: Matrix<Double>): EjmlDoubleMatrix<DMatrixRMaj> {
-        val out = DMatrixRMaj(1, 1)
-
-        CommonOps_DDRM.add(
-            elementAlgebra.one, 
-            toEjml().origin, 
-            elementAlgebra { -one },
-            other.toEjml().origin, 
-            out,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override operator fun Matrix<Double>.times(value: Double): EjmlDoubleMatrix<DMatrixRMaj> {
-        val res = DMatrixRMaj(1, 1)
-        CommonOps_DDRM.scale(value, toEjml().origin, res)
-        return res.wrapMatrix()
-    }
-
-    public override fun Point<Double>.unaryMinus(): EjmlDoubleVector<DMatrixRMaj> {
-        val res = DMatrixRMaj(1, 1)
-        CommonOps_DDRM.changeSign(toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Matrix<Double>.plus(other: Matrix<Double>): EjmlDoubleMatrix<DMatrixRMaj> {
-        val out = DMatrixRMaj(1, 1)
-        
-        CommonOps_DDRM.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin, 
-            out,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override fun Point<Double>.plus(other: Point<Double>): EjmlDoubleVector<DMatrixRMaj> {
-        val out = DMatrixRMaj(1, 1)
-
-        CommonOps_DDRM.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin,
-            out,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Point<Double>.minus(other: Point<Double>): EjmlDoubleVector<DMatrixRMaj> {
-        val out = DMatrixRMaj(1, 1)
-
-        CommonOps_DDRM.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra { -one },
-            other.toEjml().origin,
-            out,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Double.times(m: Matrix<Double>): EjmlDoubleMatrix<DMatrixRMaj> = m * this
-
-    public override fun Point<Double>.times(value: Double): EjmlDoubleVector<DMatrixRMaj> {
-        val res = DMatrixRMaj(1, 1)
-        CommonOps_DDRM.scale(value, toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Double.times(v: Point<Double>): EjmlDoubleVector<DMatrixRMaj> = v * this
-
-    @UnstableKMathAPI
-    public override fun <F : StructureFeature> getFeature(structure: Matrix<Double>, type: KClass<out F>): F? {
-        structure.getFeature(type)?.let { return it }
-        val origin = structure.toEjml().origin
-
-        return when (type) {
-            InverseMatrixFeature::class -> object : InverseMatrixFeature<Double> {
-                override val inverse: Matrix<Double> by lazy {
-                    val res = origin.copy()
-                    CommonOps_DDRM.invert(res)
-                    res.wrapMatrix()
-                }
-            }
-
-            DeterminantFeature::class -> object : DeterminantFeature<Double> {
-                override val determinant: Double by lazy { CommonOps_DDRM.det(origin) }
-            }
-
-            SingularValueDecompositionFeature::class -> object : SingularValueDecompositionFeature<Double> {
-                private val svd by lazy {
-                    DecompositionFactory_DDRM.svd(origin.numRows, origin.numCols, true, true, false)
-                        .apply { decompose(origin.copy()) }
-                }
-
-                override val u: Matrix<Double> by lazy { svd.getU(null, false).wrapMatrix() }
-                override val s: Matrix<Double> by lazy { svd.getW(null).wrapMatrix() }
-                override val v: Matrix<Double> by lazy { svd.getV(null, false).wrapMatrix() }
-                override val singularValues: Point<Double> by lazy { DoubleBuffer(svd.singularValues) }
-            }
-
-            QRDecompositionFeature::class -> object : QRDecompositionFeature<Double> {
-                private val qr by lazy {
-                    DecompositionFactory_DDRM.qr().apply { decompose(origin.copy()) }
-                }
-
-                override val q: Matrix<Double> by lazy {
-                    qr.getQ(null, false).wrapMatrix() + OrthogonalFeature
-                }
-
-                override val r: Matrix<Double> by lazy { qr.getR(null, false).wrapMatrix() + UFeature }
-            }
-
-            CholeskyDecompositionFeature::class -> object : CholeskyDecompositionFeature<Double> {
-                override val l: Matrix<Double> by lazy {
-                    val cholesky =
-                        DecompositionFactory_DDRM.chol(structure.rowNum, true).apply { decompose(origin.copy()) }
-
-                    cholesky.getT(null).wrapMatrix() + LFeature
-                }
-            }
-
-            LupDecompositionFeature::class -> object : LupDecompositionFeature<Double> {
-                private val lup by lazy {
-                    DecompositionFactory_DDRM.lu(origin.numRows, origin.numCols).apply { decompose(origin.copy()) }
-                }
-
-                override val l: Matrix<Double> by lazy {
-                    lup.getLower(null).wrapMatrix() + LFeature
-                }
-
-                override val u: Matrix<Double> by lazy {
-                    lup.getUpper(null).wrapMatrix() + UFeature
-                }
-
-                override val p: Matrix<Double> by lazy { lup.getRowPivot(null).wrapMatrix() }
-            }
-
-            else -> null
-        }?.let(type::cast)
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p matrix.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Double>, b: Matrix<Double>): EjmlDoubleMatrix<DMatrixRMaj> {
-        val res = DMatrixRMaj(1, 1)
-        CommonOps_DDRM.solve(DMatrixRMaj(a.toEjml().origin), DMatrixRMaj(b.toEjml().origin), res)
-        return res.wrapMatrix()
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p vector.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Double>, b: Point<Double>): EjmlDoubleVector<DMatrixRMaj> {
-        val res = DMatrixRMaj(1, 1)
-        CommonOps_DDRM.solve(DMatrixRMaj(a.toEjml().origin), DMatrixRMaj(b.toEjml().origin), res)
-        return EjmlDoubleVector(res)
-    }
-}
-
-/**
- * [EjmlLinearSpace] implementation based on [CommonOps_FDRM], [DecompositionFactory_FDRM] operations and
- * [FMatrixRMaj] matrices.
- */
-public object EjmlLinearSpaceFDRM : EjmlLinearSpace<Float, FloatField, FMatrixRMaj>() {
-    /**
-     * The [FloatField] reference.
-     */
-    public override val elementAlgebra: FloatField get() = FloatField
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Matrix<Float>.toEjml(): EjmlFloatMatrix<FMatrixRMaj> = when {
-        this is EjmlFloatMatrix<*> && origin is FMatrixRMaj -> this as EjmlFloatMatrix<FMatrixRMaj>
-        else -> buildMatrix(rowNum, colNum) { i, j -> get(i, j) }
-    }
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Point<Float>.toEjml(): EjmlFloatVector<FMatrixRMaj> = when {
-        this is EjmlFloatVector<*> && origin is FMatrixRMaj -> this as EjmlFloatVector<FMatrixRMaj>
-        else -> EjmlFloatVector(FMatrixRMaj(size, 1).also {
-            (0 until it.numRows).forEach { row -> it[row, 0] = get(row) }
-        })
-    }
-
-    public override fun buildMatrix(
-        rows: Int,
-        columns: Int,
-        initializer: FloatField.(i: Int, j: Int) -> Float,
-    ): EjmlFloatMatrix<FMatrixRMaj> = FMatrixRMaj(rows, columns).also {
-        (0 until rows).forEach { row ->
-            (0 until columns).forEach { col -> it[row, col] = elementAlgebra.initializer(row, col) }
-        }
-    }.wrapMatrix()
-
-    public override fun buildVector(
-        size: Int,
-        initializer: FloatField.(Int) -> Float,
-    ): EjmlFloatVector<FMatrixRMaj> = EjmlFloatVector(FMatrixRMaj(size, 1).also {
-        (0 until it.numRows).forEach { row -> it[row, 0] = elementAlgebra.initializer(row) }
-    })
-
-    private fun <T : FMatrix> T.wrapMatrix() = EjmlFloatMatrix(this)
-    private fun <T : FMatrix> T.wrapVector() = EjmlFloatVector(this)
-
-    public override fun Matrix<Float>.unaryMinus(): Matrix<Float> = this * elementAlgebra { -one }
-
-    public override fun Matrix<Float>.dot(other: Matrix<Float>): EjmlFloatMatrix<FMatrixRMaj> {
-        val out = FMatrixRMaj(1, 1)
-        CommonOps_FDRM.mult(toEjml().origin, other.toEjml().origin, out)
-        return out.wrapMatrix()
-    }
-
-    public override fun Matrix<Float>.dot(vector: Point<Float>): EjmlFloatVector<FMatrixRMaj> {
-        val out = FMatrixRMaj(1, 1)
-        CommonOps_FDRM.mult(toEjml().origin, vector.toEjml().origin, out)
-        return out.wrapVector()
-    }
-
-    public override operator fun Matrix<Float>.minus(other: Matrix<Float>): EjmlFloatMatrix<FMatrixRMaj> {
-        val out = FMatrixRMaj(1, 1)
-
-        CommonOps_FDRM.add(
-            elementAlgebra.one, 
-            toEjml().origin, 
-            elementAlgebra { -one },
-            other.toEjml().origin, 
-            out,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override operator fun Matrix<Float>.times(value: Float): EjmlFloatMatrix<FMatrixRMaj> {
-        val res = FMatrixRMaj(1, 1)
-        CommonOps_FDRM.scale(value, toEjml().origin, res)
-        return res.wrapMatrix()
-    }
-
-    public override fun Point<Float>.unaryMinus(): EjmlFloatVector<FMatrixRMaj> {
-        val res = FMatrixRMaj(1, 1)
-        CommonOps_FDRM.changeSign(toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Matrix<Float>.plus(other: Matrix<Float>): EjmlFloatMatrix<FMatrixRMaj> {
-        val out = FMatrixRMaj(1, 1)
-        
-        CommonOps_FDRM.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin, 
-            out,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override fun Point<Float>.plus(other: Point<Float>): EjmlFloatVector<FMatrixRMaj> {
-        val out = FMatrixRMaj(1, 1)
-
-        CommonOps_FDRM.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin,
-            out,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Point<Float>.minus(other: Point<Float>): EjmlFloatVector<FMatrixRMaj> {
-        val out = FMatrixRMaj(1, 1)
-
-        CommonOps_FDRM.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra { -one },
-            other.toEjml().origin,
-            out,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Float.times(m: Matrix<Float>): EjmlFloatMatrix<FMatrixRMaj> = m * this
-
-    public override fun Point<Float>.times(value: Float): EjmlFloatVector<FMatrixRMaj> {
-        val res = FMatrixRMaj(1, 1)
-        CommonOps_FDRM.scale(value, toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Float.times(v: Point<Float>): EjmlFloatVector<FMatrixRMaj> = v * this
-
-    @UnstableKMathAPI
-    public override fun <F : StructureFeature> getFeature(structure: Matrix<Float>, type: KClass<out F>): F? {
-        structure.getFeature(type)?.let { return it }
-        val origin = structure.toEjml().origin
-
-        return when (type) {
-            InverseMatrixFeature::class -> object : InverseMatrixFeature<Float> {
-                override val inverse: Matrix<Float> by lazy {
-                    val res = origin.copy()
-                    CommonOps_FDRM.invert(res)
-                    res.wrapMatrix()
-                }
-            }
-
-            DeterminantFeature::class -> object : DeterminantFeature<Float> {
-                override val determinant: Float by lazy { CommonOps_FDRM.det(origin) }
-            }
-
-            SingularValueDecompositionFeature::class -> object : SingularValueDecompositionFeature<Float> {
-                private val svd by lazy {
-                    DecompositionFactory_FDRM.svd(origin.numRows, origin.numCols, true, true, false)
-                        .apply { decompose(origin.copy()) }
-                }
-
-                override val u: Matrix<Float> by lazy { svd.getU(null, false).wrapMatrix() }
-                override val s: Matrix<Float> by lazy { svd.getW(null).wrapMatrix() }
-                override val v: Matrix<Float> by lazy { svd.getV(null, false).wrapMatrix() }
-                override val singularValues: Point<Float> by lazy { FloatBuffer(svd.singularValues) }
-            }
-
-            QRDecompositionFeature::class -> object : QRDecompositionFeature<Float> {
-                private val qr by lazy {
-                    DecompositionFactory_FDRM.qr().apply { decompose(origin.copy()) }
-                }
-
-                override val q: Matrix<Float> by lazy {
-                    qr.getQ(null, false).wrapMatrix() + OrthogonalFeature
-                }
-
-                override val r: Matrix<Float> by lazy { qr.getR(null, false).wrapMatrix() + UFeature }
-            }
-
-            CholeskyDecompositionFeature::class -> object : CholeskyDecompositionFeature<Float> {
-                override val l: Matrix<Float> by lazy {
-                    val cholesky =
-                        DecompositionFactory_FDRM.chol(structure.rowNum, true).apply { decompose(origin.copy()) }
-
-                    cholesky.getT(null).wrapMatrix() + LFeature
-                }
-            }
-
-            LupDecompositionFeature::class -> object : LupDecompositionFeature<Float> {
-                private val lup by lazy {
-                    DecompositionFactory_FDRM.lu(origin.numRows, origin.numCols).apply { decompose(origin.copy()) }
-                }
-
-                override val l: Matrix<Float> by lazy {
-                    lup.getLower(null).wrapMatrix() + LFeature
-                }
-
-                override val u: Matrix<Float> by lazy {
-                    lup.getUpper(null).wrapMatrix() + UFeature
-                }
-
-                override val p: Matrix<Float> by lazy { lup.getRowPivot(null).wrapMatrix() }
-            }
-
-            else -> null
-        }?.let(type::cast)
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p matrix.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Float>, b: Matrix<Float>): EjmlFloatMatrix<FMatrixRMaj> {
-        val res = FMatrixRMaj(1, 1)
-        CommonOps_FDRM.solve(FMatrixRMaj(a.toEjml().origin), FMatrixRMaj(b.toEjml().origin), res)
-        return res.wrapMatrix()
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p vector.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Float>, b: Point<Float>): EjmlFloatVector<FMatrixRMaj> {
-        val res = FMatrixRMaj(1, 1)
-        CommonOps_FDRM.solve(FMatrixRMaj(a.toEjml().origin), FMatrixRMaj(b.toEjml().origin), res)
-        return EjmlFloatVector(res)
-    }
-}
-
-/**
- * [EjmlLinearSpace] implementation based on [CommonOps_DSCC], [DecompositionFactory_DSCC] operations and
- * [DMatrixSparseCSC] matrices.
- */
-public object EjmlLinearSpaceDSCC : EjmlLinearSpace<Double, DoubleField, DMatrixSparseCSC>() {
-    /**
-     * The [DoubleField] reference.
-     */
-    public override val elementAlgebra: DoubleField get() = DoubleField
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Matrix<Double>.toEjml(): EjmlDoubleMatrix<DMatrixSparseCSC> = when {
-        this is EjmlDoubleMatrix<*> && origin is DMatrixSparseCSC -> this as EjmlDoubleMatrix<DMatrixSparseCSC>
-        else -> buildMatrix(rowNum, colNum) { i, j -> get(i, j) }
-    }
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Point<Double>.toEjml(): EjmlDoubleVector<DMatrixSparseCSC> = when {
-        this is EjmlDoubleVector<*> && origin is DMatrixSparseCSC -> this as EjmlDoubleVector<DMatrixSparseCSC>
-        else -> EjmlDoubleVector(DMatrixSparseCSC(size, 1).also {
-            (0 until it.numRows).forEach { row -> it[row, 0] = get(row) }
-        })
-    }
-
-    public override fun buildMatrix(
-        rows: Int,
-        columns: Int,
-        initializer: DoubleField.(i: Int, j: Int) -> Double,
-    ): EjmlDoubleMatrix<DMatrixSparseCSC> = DMatrixSparseCSC(rows, columns).also {
-        (0 until rows).forEach { row ->
-            (0 until columns).forEach { col -> it[row, col] = elementAlgebra.initializer(row, col) }
-        }
-    }.wrapMatrix()
-
-    public override fun buildVector(
-        size: Int,
-        initializer: DoubleField.(Int) -> Double,
-    ): EjmlDoubleVector<DMatrixSparseCSC> = EjmlDoubleVector(DMatrixSparseCSC(size, 1).also {
-        (0 until it.numRows).forEach { row -> it[row, 0] = elementAlgebra.initializer(row) }
-    })
-
-    private fun <T : DMatrix> T.wrapMatrix() = EjmlDoubleMatrix(this)
-    private fun <T : DMatrix> T.wrapVector() = EjmlDoubleVector(this)
-
-    public override fun Matrix<Double>.unaryMinus(): Matrix<Double> = this * elementAlgebra { -one }
-
-    public override fun Matrix<Double>.dot(other: Matrix<Double>): EjmlDoubleMatrix<DMatrixSparseCSC> {
-        val out = DMatrixSparseCSC(1, 1)
-        CommonOps_DSCC.mult(toEjml().origin, other.toEjml().origin, out)
-        return out.wrapMatrix()
-    }
-
-    public override fun Matrix<Double>.dot(vector: Point<Double>): EjmlDoubleVector<DMatrixSparseCSC> {
-        val out = DMatrixSparseCSC(1, 1)
-        CommonOps_DSCC.mult(toEjml().origin, vector.toEjml().origin, out)
-        return out.wrapVector()
-    }
-
-    public override operator fun Matrix<Double>.minus(other: Matrix<Double>): EjmlDoubleMatrix<DMatrixSparseCSC> {
-        val out = DMatrixSparseCSC(1, 1)
-
-        CommonOps_DSCC.add(
-            elementAlgebra.one, 
-            toEjml().origin, 
-            elementAlgebra { -one },
-            other.toEjml().origin, 
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override operator fun Matrix<Double>.times(value: Double): EjmlDoubleMatrix<DMatrixSparseCSC> {
-        val res = DMatrixSparseCSC(1, 1)
-        CommonOps_DSCC.scale(value, toEjml().origin, res)
-        return res.wrapMatrix()
-    }
-
-    public override fun Point<Double>.unaryMinus(): EjmlDoubleVector<DMatrixSparseCSC> {
-        val res = DMatrixSparseCSC(1, 1)
-        CommonOps_DSCC.changeSign(toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Matrix<Double>.plus(other: Matrix<Double>): EjmlDoubleMatrix<DMatrixSparseCSC> {
-        val out = DMatrixSparseCSC(1, 1)
-        
-        CommonOps_DSCC.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin, 
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override fun Point<Double>.plus(other: Point<Double>): EjmlDoubleVector<DMatrixSparseCSC> {
-        val out = DMatrixSparseCSC(1, 1)
-
-        CommonOps_DSCC.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin,
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Point<Double>.minus(other: Point<Double>): EjmlDoubleVector<DMatrixSparseCSC> {
-        val out = DMatrixSparseCSC(1, 1)
-
-        CommonOps_DSCC.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra { -one },
-            other.toEjml().origin,
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Double.times(m: Matrix<Double>): EjmlDoubleMatrix<DMatrixSparseCSC> = m * this
-
-    public override fun Point<Double>.times(value: Double): EjmlDoubleVector<DMatrixSparseCSC> {
-        val res = DMatrixSparseCSC(1, 1)
-        CommonOps_DSCC.scale(value, toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Double.times(v: Point<Double>): EjmlDoubleVector<DMatrixSparseCSC> = v * this
-
-    @UnstableKMathAPI
-    public override fun <F : StructureFeature> getFeature(structure: Matrix<Double>, type: KClass<out F>): F? {
-        structure.getFeature(type)?.let { return it }
-        val origin = structure.toEjml().origin
-
-        return when (type) {
-            QRDecompositionFeature::class -> object : QRDecompositionFeature<Double> {
-                private val qr by lazy {
-                    DecompositionFactory_DSCC.qr(FillReducing.NONE).apply { decompose(origin.copy()) }
-                }
-
-                override val q: Matrix<Double> by lazy {
-                    qr.getQ(null, false).wrapMatrix() + OrthogonalFeature
-                }
-
-                override val r: Matrix<Double> by lazy { qr.getR(null, false).wrapMatrix() + UFeature }
-            }
-
-            CholeskyDecompositionFeature::class -> object : CholeskyDecompositionFeature<Double> {
-                override val l: Matrix<Double> by lazy {
-                    val cholesky =
-                        DecompositionFactory_DSCC.cholesky().apply { decompose(origin.copy()) }
-
-                    (cholesky.getT(null) as DMatrix).wrapMatrix() + LFeature
-                }
-            }
-
-            LUDecompositionFeature::class, DeterminantFeature::class, InverseMatrixFeature::class -> object :
-                LUDecompositionFeature<Double>, DeterminantFeature<Double>, InverseMatrixFeature<Double> {
-                private val lu by lazy {
-                    DecompositionFactory_DSCC.lu(FillReducing.NONE).apply { decompose(origin.copy()) }
-                }
-
-                override val l: Matrix<Double> by lazy {
-                    lu.getLower(null).wrapMatrix() + LFeature
-                }
-
-                override val u: Matrix<Double> by lazy {
-                    lu.getUpper(null).wrapMatrix() + UFeature
-                }
-
-                override val inverse: Matrix<Double> by lazy {
-                    var a = origin
-                    val inverse = DMatrixRMaj(1, 1)
-                    val solver = LinearSolverFactory_DSCC.lu(FillReducing.NONE)
-                    if (solver.modifiesA()) a = a.copy()
-                    val i = CommonOps_DDRM.identity(a.numRows)
-                    solver.solve(i, inverse)
-                    inverse.wrapMatrix()
-                }
-
-                override val determinant: Double by lazy { elementAlgebra.number(lu.computeDeterminant().real) }
-            }
-
-            else -> null
-        }?.let(type::cast)
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p matrix.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Double>, b: Matrix<Double>): EjmlDoubleMatrix<DMatrixSparseCSC> {
-        val res = DMatrixSparseCSC(1, 1)
-        CommonOps_DSCC.solve(DMatrixSparseCSC(a.toEjml().origin), DMatrixSparseCSC(b.toEjml().origin), res)
-        return res.wrapMatrix()
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p vector.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Double>, b: Point<Double>): EjmlDoubleVector<DMatrixSparseCSC> {
-        val res = DMatrixSparseCSC(1, 1)
-        CommonOps_DSCC.solve(DMatrixSparseCSC(a.toEjml().origin), DMatrixSparseCSC(b.toEjml().origin), res)
-        return EjmlDoubleVector(res)
-    }
-}
-
-/**
- * [EjmlLinearSpace] implementation based on [CommonOps_FSCC], [DecompositionFactory_FSCC] operations and
- * [FMatrixSparseCSC] matrices.
- */
-public object EjmlLinearSpaceFSCC : EjmlLinearSpace<Float, FloatField, FMatrixSparseCSC>() {
-    /**
-     * The [FloatField] reference.
-     */
-    public override val elementAlgebra: FloatField get() = FloatField
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Matrix<Float>.toEjml(): EjmlFloatMatrix<FMatrixSparseCSC> = when {
-        this is EjmlFloatMatrix<*> && origin is FMatrixSparseCSC -> this as EjmlFloatMatrix<FMatrixSparseCSC>
-        else -> buildMatrix(rowNum, colNum) { i, j -> get(i, j) }
-    }
-
-    @Suppress("UNCHECKED_CAST")
-    public override fun Point<Float>.toEjml(): EjmlFloatVector<FMatrixSparseCSC> = when {
-        this is EjmlFloatVector<*> && origin is FMatrixSparseCSC -> this as EjmlFloatVector<FMatrixSparseCSC>
-        else -> EjmlFloatVector(FMatrixSparseCSC(size, 1).also {
-            (0 until it.numRows).forEach { row -> it[row, 0] = get(row) }
-        })
-    }
-
-    public override fun buildMatrix(
-        rows: Int,
-        columns: Int,
-        initializer: FloatField.(i: Int, j: Int) -> Float,
-    ): EjmlFloatMatrix<FMatrixSparseCSC> = FMatrixSparseCSC(rows, columns).also {
-        (0 until rows).forEach { row ->
-            (0 until columns).forEach { col -> it[row, col] = elementAlgebra.initializer(row, col) }
-        }
-    }.wrapMatrix()
-
-    public override fun buildVector(
-        size: Int,
-        initializer: FloatField.(Int) -> Float,
-    ): EjmlFloatVector<FMatrixSparseCSC> = EjmlFloatVector(FMatrixSparseCSC(size, 1).also {
-        (0 until it.numRows).forEach { row -> it[row, 0] = elementAlgebra.initializer(row) }
-    })
-
-    private fun <T : FMatrix> T.wrapMatrix() = EjmlFloatMatrix(this)
-    private fun <T : FMatrix> T.wrapVector() = EjmlFloatVector(this)
-
-    public override fun Matrix<Float>.unaryMinus(): Matrix<Float> = this * elementAlgebra { -one }
-
-    public override fun Matrix<Float>.dot(other: Matrix<Float>): EjmlFloatMatrix<FMatrixSparseCSC> {
-        val out = FMatrixSparseCSC(1, 1)
-        CommonOps_FSCC.mult(toEjml().origin, other.toEjml().origin, out)
-        return out.wrapMatrix()
-    }
-
-    public override fun Matrix<Float>.dot(vector: Point<Float>): EjmlFloatVector<FMatrixSparseCSC> {
-        val out = FMatrixSparseCSC(1, 1)
-        CommonOps_FSCC.mult(toEjml().origin, vector.toEjml().origin, out)
-        return out.wrapVector()
-    }
-
-    public override operator fun Matrix<Float>.minus(other: Matrix<Float>): EjmlFloatMatrix<FMatrixSparseCSC> {
-        val out = FMatrixSparseCSC(1, 1)
-
-        CommonOps_FSCC.add(
-            elementAlgebra.one, 
-            toEjml().origin, 
-            elementAlgebra { -one },
-            other.toEjml().origin, 
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override operator fun Matrix<Float>.times(value: Float): EjmlFloatMatrix<FMatrixSparseCSC> {
-        val res = FMatrixSparseCSC(1, 1)
-        CommonOps_FSCC.scale(value, toEjml().origin, res)
-        return res.wrapMatrix()
-    }
-
-    public override fun Point<Float>.unaryMinus(): EjmlFloatVector<FMatrixSparseCSC> {
-        val res = FMatrixSparseCSC(1, 1)
-        CommonOps_FSCC.changeSign(toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Matrix<Float>.plus(other: Matrix<Float>): EjmlFloatMatrix<FMatrixSparseCSC> {
-        val out = FMatrixSparseCSC(1, 1)
-        
-        CommonOps_FSCC.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin, 
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapMatrix()
-    }
-
-    public override fun Point<Float>.plus(other: Point<Float>): EjmlFloatVector<FMatrixSparseCSC> {
-        val out = FMatrixSparseCSC(1, 1)
-
-        CommonOps_FSCC.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra.one,
-            other.toEjml().origin,
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Point<Float>.minus(other: Point<Float>): EjmlFloatVector<FMatrixSparseCSC> {
-        val out = FMatrixSparseCSC(1, 1)
-
-        CommonOps_FSCC.add(
-            elementAlgebra.one,
-            toEjml().origin,
-            elementAlgebra { -one },
-            other.toEjml().origin,
-            out,
-            null, 
-            null,
-        )
-
-        return out.wrapVector()
-    }
-
-    public override fun Float.times(m: Matrix<Float>): EjmlFloatMatrix<FMatrixSparseCSC> = m * this
-
-    public override fun Point<Float>.times(value: Float): EjmlFloatVector<FMatrixSparseCSC> {
-        val res = FMatrixSparseCSC(1, 1)
-        CommonOps_FSCC.scale(value, toEjml().origin, res)
-        return res.wrapVector()
-    }
-
-    public override fun Float.times(v: Point<Float>): EjmlFloatVector<FMatrixSparseCSC> = v * this
-
-    @UnstableKMathAPI
-    public override fun <F : StructureFeature> getFeature(structure: Matrix<Float>, type: KClass<out F>): F? {
-        structure.getFeature(type)?.let { return it }
-        val origin = structure.toEjml().origin
-
-        return when (type) {
-            QRDecompositionFeature::class -> object : QRDecompositionFeature<Float> {
-                private val qr by lazy {
-                    DecompositionFactory_FSCC.qr(FillReducing.NONE).apply { decompose(origin.copy()) }
-                }
-
-                override val q: Matrix<Float> by lazy {
-                    qr.getQ(null, false).wrapMatrix() + OrthogonalFeature
-                }
-
-                override val r: Matrix<Float> by lazy { qr.getR(null, false).wrapMatrix() + UFeature }
-            }
-
-            CholeskyDecompositionFeature::class -> object : CholeskyDecompositionFeature<Float> {
-                override val l: Matrix<Float> by lazy {
-                    val cholesky =
-                        DecompositionFactory_FSCC.cholesky().apply { decompose(origin.copy()) }
-
-                    (cholesky.getT(null) as FMatrix).wrapMatrix() + LFeature
-                }
-            }
-
-            LUDecompositionFeature::class, DeterminantFeature::class, InverseMatrixFeature::class -> object :
-                LUDecompositionFeature<Float>, DeterminantFeature<Float>, InverseMatrixFeature<Float> {
-                private val lu by lazy {
-                    DecompositionFactory_FSCC.lu(FillReducing.NONE).apply { decompose(origin.copy()) }
-                }
-
-                override val l: Matrix<Float> by lazy {
-                    lu.getLower(null).wrapMatrix() + LFeature
-                }
-
-                override val u: Matrix<Float> by lazy {
-                    lu.getUpper(null).wrapMatrix() + UFeature
-                }
-
-                override val inverse: Matrix<Float> by lazy {
-                    var a = origin
-                    val inverse = FMatrixRMaj(1, 1)
-                    val solver = LinearSolverFactory_FSCC.lu(FillReducing.NONE)
-                    if (solver.modifiesA()) a = a.copy()
-                    val i = CommonOps_FDRM.identity(a.numRows)
-                    solver.solve(i, inverse)
-                    inverse.wrapMatrix()
-                }
-
-                override val determinant: Float by lazy { elementAlgebra.number(lu.computeDeterminant().real) }
-            }
-
-            else -> null
-        }?.let(type::cast)
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p matrix.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Float>, b: Matrix<Float>): EjmlFloatMatrix<FMatrixSparseCSC> {
-        val res = FMatrixSparseCSC(1, 1)
-        CommonOps_FSCC.solve(FMatrixSparseCSC(a.toEjml().origin), FMatrixSparseCSC(b.toEjml().origin), res)
-        return res.wrapMatrix()
-    }
-
-    /**
-     * Solves for *x* in the following equation: *x = [a] <sup>-1</sup> &middot; [b]*.
-     *
-     * @param a the base matrix.
-     * @param b n by p vector.
-     * @return the solution for *x* that is n by p.
-     */
-    public fun solve(a: Matrix<Float>, b: Point<Float>): EjmlFloatVector<FMatrixSparseCSC> {
-        val res = FMatrixSparseCSC(1, 1)
-        CommonOps_FSCC.solve(FMatrixSparseCSC(a.toEjml().origin), FMatrixSparseCSC(b.toEjml().origin), res)
-        return EjmlFloatVector(res)
-    }
-}
-

kmath-ejml/src/test/kotlin/space/kscience/kmath/ejml/EjmlMatrixTest.kt

@@ -11,7 +11,7 @@ import org.ejml.dense.row.RandomMatrices_DDRM
 import org.ejml.dense.row.factory.DecompositionFactory_DDRM
 import space.kscience.kmath.linear.DeterminantFeature
 import space.kscience.kmath.linear.LupDecompositionFeature
-import space.kscience.kmath.linear.getFeature
+import space.kscience.kmath.linear.computeFeature
 import space.kscience.kmath.misc.PerformancePitfall
 import space.kscience.kmath.misc.UnstableKMathAPI
 import space.kscience.kmath.nd.StructureND
@@ -59,9 +59,9 @@ internal class EjmlMatrixTest {
     fun features() {
         val m = randomMatrix
         val w = EjmlDoubleMatrix(m)
-        val det: DeterminantFeature<Double> = EjmlLinearSpaceDDRM.getFeature(w) ?: fail()
+        val det: DeterminantFeature<Double> = EjmlLinearSpaceDDRM.computeFeature(w) ?: fail()
         assertEquals(CommonOps_DDRM.det(m), det.determinant)
-        val lup: LupDecompositionFeature<Double> = EjmlLinearSpaceDDRM.getFeature(w) ?: fail()
+        val lup: LupDecompositionFeature<Double> = EjmlLinearSpaceDDRM.computeFeature(w) ?: fail()
 
         val ludecompositionF64 = DecompositionFactory_DDRM.lu(m.numRows, m.numCols)
             .also { it.decompose(m.copy()) }

kmath-for-real/src/commonMain/kotlin/space/kscience/kmath/real/RealMatrix.kt

@@ -32,18 +32,18 @@ import kotlin.math.pow
 public typealias RealMatrix = Matrix<Double>
 
 public fun realMatrix(rowNum: Int, colNum: Int, initializer: DoubleField.(i: Int, j: Int) -> Double): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum, initializer)
+    LinearSpace.double.buildMatrix(rowNum, colNum, initializer)
 
 @OptIn(UnstableKMathAPI::class)
 public fun realMatrix(rowNum: Int, colNum: Int): MatrixBuilder<Double, DoubleField> =
-    LinearSpace.real.matrix(rowNum, colNum)
+    LinearSpace.double.matrix(rowNum, colNum)
 
 public fun Array<DoubleArray>.toMatrix(): RealMatrix {
-    return LinearSpace.real.buildMatrix(size, this[0].size) { row, col -> this@toMatrix[row][col] }
+    return LinearSpace.double.buildMatrix(size, this[0].size) { row, col -> this@toMatrix[row][col] }
 }
 
 public fun Sequence<DoubleArray>.toMatrix(): RealMatrix = toList().let {
-    LinearSpace.real.buildMatrix(it.size, it[0].size) { row, col -> it[row][col] }
+    LinearSpace.double.buildMatrix(it.size, it[0].size) { row, col -> it[row][col] }
 }
 
 public fun RealMatrix.repeatStackVertical(n: Int): RealMatrix =
@@ -56,37 +56,37 @@ public fun RealMatrix.repeatStackVertical(n: Int): RealMatrix =
  */
 
 public operator fun RealMatrix.times(double: Double): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum) { row, col ->
+    LinearSpace.double.buildMatrix(rowNum, colNum) { row, col ->
         get(row, col) * double
     }
 
 public operator fun RealMatrix.plus(double: Double): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum) { row, col ->
+    LinearSpace.double.buildMatrix(rowNum, colNum) { row, col ->
         get(row, col) + double
     }
 
 public operator fun RealMatrix.minus(double: Double): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum) { row, col ->
+    LinearSpace.double.buildMatrix(rowNum, colNum) { row, col ->
         get(row, col) - double
     }
 
 public operator fun RealMatrix.div(double: Double): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum) { row, col ->
+    LinearSpace.double.buildMatrix(rowNum, colNum) { row, col ->
         get(row, col) / double
     }
 
 public operator fun Double.times(matrix: RealMatrix): RealMatrix =
-    LinearSpace.real.buildMatrix(matrix.rowNum, matrix.colNum) { row, col ->
+    LinearSpace.double.buildMatrix(matrix.rowNum, matrix.colNum) { row, col ->
         this@times * matrix[row, col]
     }
 
 public operator fun Double.plus(matrix: RealMatrix): RealMatrix =
-    LinearSpace.real.buildMatrix(matrix.rowNum, matrix.colNum) { row, col ->
+    LinearSpace.double.buildMatrix(matrix.rowNum, matrix.colNum) { row, col ->
         this@plus + matrix[row, col]
     }
 
 public operator fun Double.minus(matrix: RealMatrix): RealMatrix =
-    LinearSpace.real.buildMatrix(matrix.rowNum, matrix.colNum) { row, col ->
+    LinearSpace.double.buildMatrix(matrix.rowNum, matrix.colNum) { row, col ->
         this@minus - matrix[row, col]
     }
 
@@ -101,20 +101,20 @@ public operator fun Double.minus(matrix: RealMatrix): RealMatrix =
 
 @UnstableKMathAPI
 public operator fun RealMatrix.times(other: RealMatrix): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum) { row, col -> this@times[row, col] * other[row, col] }
+    LinearSpace.double.buildMatrix(rowNum, colNum) { row, col -> this@times[row, col] * other[row, col] }
 
 public operator fun RealMatrix.plus(other: RealMatrix): RealMatrix =
-    LinearSpace.real.run { this@plus + other }
+    LinearSpace.double.run { this@plus + other }
 
 public operator fun RealMatrix.minus(other: RealMatrix): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum) { row, col -> this@minus[row, col] - other[row, col] }
+    LinearSpace.double.buildMatrix(rowNum, colNum) { row, col -> this@minus[row, col] - other[row, col] }
 
 /*
  *  Operations on columns
  */
 
 public inline fun RealMatrix.appendColumn(crossinline mapper: (Buffer<Double>) -> Double): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum + 1) { row, col ->
+    LinearSpace.double.buildMatrix(rowNum, colNum + 1) { row, col ->
         if (col < colNum)
             get(row, col)
         else
@@ -122,7 +122,7 @@ public inline fun RealMatrix.appendColumn(crossinline mapper: (Buffer<Double>) -
     }
 
 public fun RealMatrix.extractColumns(columnRange: IntRange): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, columnRange.count()) { row, col ->
+    LinearSpace.double.buildMatrix(rowNum, columnRange.count()) { row, col ->
         this@extractColumns[row, columnRange.first + col]
     }
 
@@ -155,14 +155,14 @@ public fun RealMatrix.max(): Double? = elements().map { (_, value) -> value }.ma
 public fun RealMatrix.average(): Double = elements().map { (_, value) -> value }.average()
 
 public inline fun RealMatrix.map(crossinline transform: (Double) -> Double): RealMatrix =
-    LinearSpace.real.buildMatrix(rowNum, colNum) { i, j ->
+    LinearSpace.double.buildMatrix(rowNum, colNum) { i, j ->
         transform(get(i, j))
     }
 
 /**
  * Inverse a square real matrix using LUP decomposition
  */
-public fun RealMatrix.inverseWithLup(): RealMatrix = LinearSpace.real.inverseWithLup(this)
+public fun RealMatrix.inverseWithLup(): RealMatrix = LinearSpace.double.lupSolver().inverse(this)
 
 //extended operations
 

kmath-for-real/src/commonMain/kotlin/space/kscience/kmath/real/dot.kt

@@ -12,6 +12,6 @@ import space.kscience.kmath.linear.Matrix
 /**
  * Optimized dot product for real matrices
  */
-public infix fun Matrix<Double>.dot(other: Matrix<Double>): Matrix<Double> = LinearSpace.real.run {
+public infix fun Matrix<Double>.dot(other: Matrix<Double>): Matrix<Double> = LinearSpace.double.run {
     this@dot dot other
 }

kmath-for-real/src/commonTest/kotlin/kaceince/kmath/real/DoubleMatrixTest.kt

@@ -65,7 +65,7 @@ internal class DoubleMatrixTest {
             4.0, 6.0, 2.0
         )
         val matrix2 = (matrix1 * 2.5 + 1.0 - 2.0) / 2.0
-        val expectedResult = LinearSpace.real.matrix(2, 3)(
+        val expectedResult = LinearSpace.double.matrix(2, 3)(
             0.75, -0.5, 3.25,
             4.5, 7.0, 2.0
         )
@@ -160,7 +160,7 @@ internal class DoubleMatrixTest {
 
     @Test
     fun testAllElementOperations() {
-        val matrix1 = LinearSpace.real.matrix(2, 4)(
+        val matrix1 = LinearSpace.double.matrix(2, 4)(
             -1.0, 0.0, 3.0, 15.0,
             4.0, -6.0, 7.0, -11.0
         )

kmath-for-real/src/commonTest/kotlin/kaceince/kmath/real/DoubleVectorTest.kt

@@ -35,7 +35,7 @@ internal class DoubleVectorTest {
         val vector2 = DoubleBuffer(5) { 5 - it.toDouble() }
         val matrix1 = vector1.asMatrix()
         val matrix2 = vector2.asMatrix().transpose()
-        val product = LinearSpace.real.run { matrix1 dot matrix2 }
+        val product = LinearSpace.double.run { matrix1 dot matrix2 }
         assertEquals(5.0, product[1, 0])
         assertEquals(6.0, product[2, 2])
     }

kmath-functions/src/commonMain/kotlin/space/kscience/kmath/integration/Integrand.kt

@@ -5,11 +5,12 @@
 
 package space.kscience.kmath.integration
 
+import space.kscience.kmath.misc.Feature
 import space.kscience.kmath.misc.FeatureSet
 import space.kscience.kmath.misc.Featured
 import kotlin.reflect.KClass
 
-public interface IntegrandFeature {
+public interface IntegrandFeature : Feature<IntegrandFeature> {
     override fun toString(): String
 }
 

kmath-kotlingrad/src/main/kotlin/space/kscience/kmath/kotlingrad/KotlingradExpression.kt

@@ -27,8 +27,9 @@ public class KotlingradExpression<T : Number, A : NumericAlgebra<T>>(
 ) : SpecialDifferentiableExpression<T, KotlingradExpression<T, A>> {
     public override fun invoke(arguments: Map<Symbol, T>): T = mst.interpret(algebra, arguments)
 
-    public override fun derivativeOrNull(symbols: List<Symbol>): KotlingradExpression<T, A> =
+    public override fun derivativeOrNull(
-        KotlingradExpression(
+        symbols: List<Symbol>,
+    ): KotlingradExpression<T, A> = KotlingradExpression(
         algebra,
         symbols.map(Symbol::identity)
             .map(MstNumericAlgebra::bindSymbol)
@@ -38,8 +39,18 @@ public class KotlingradExpression<T : Number, A : NumericAlgebra<T>>(
     )
 }
 
+/**
+ * A diff processor using [MST] to Kotlingrad converter
+ */
+public class KotlingradProcessor<T : Number, A : NumericAlgebra<T>>(
+    public val algebra: A,
+) : AutoDiffProcessor<T, MST, MstExtendedField> {
+    override fun differentiate(function: MstExtendedField.() -> MST): DifferentiableExpression<T> =
+        MstExtendedField.function().toKotlingradExpression(algebra)
+}
+
 /**
  * Wraps this [MST] into [KotlingradExpression].
  */
-public fun <T : Number, A : NumericAlgebra<T>> MST.toDiffExpression(algebra: A): KotlingradExpression<T, A> =
+public fun <T : Number, A : NumericAlgebra<T>> MST.toKotlingradExpression(algebra: A): KotlingradExpression<T, A> =
     KotlingradExpression(algebra, this)

kmath-stat/src/commonMain/kotlin/space/kscience/kmath/optimization/FunctionOptimization.kt

@@ -23,7 +23,7 @@ public enum class FunctionOptimizationTarget : OptimizationFeature {
 public class FunctionOptimization<T>(
     override val features: FeatureSet<OptimizationFeature>,
     public val expression: DifferentiableExpression<T>,
-) : OptimizationProblem{
+) : OptimizationProblem<T>{
 
     public companion object{
         /**
@@ -56,7 +56,6 @@ public class FunctionOptimization<T>(
     }
 }
 
-
 public fun <T> FunctionOptimization<T>.withFeatures(
     vararg newFeature: OptimizationFeature,
 ): FunctionOptimization<T> = FunctionOptimization(
@@ -68,7 +67,7 @@ public fun <T> FunctionOptimization<T>.withFeatures(
  * Optimize differentiable expression using specific [optimizer] form given [startingPoint]
  */
 public suspend fun <T : Any> DifferentiableExpression<T>.optimizeWith(
-    optimizer: Optimizer<FunctionOptimization<T>>,
+    optimizer: Optimizer<T, FunctionOptimization<T>>,
     startingPoint: Map<Symbol, T>,
     vararg features: OptimizationFeature,
 ): FunctionOptimization<T> {
@@ -76,3 +75,8 @@ public suspend fun <T : Any> DifferentiableExpression<T>.optimizeWith(
     return optimizer.optimize(problem)
 }
 
+public val <T> FunctionOptimization<T>.resultValueOrNull:T?
+    get() = getFeature<OptimizationResult<T>>()?.point?.let { expression(it) }
+
+public val <T> FunctionOptimization<T>.resultValue: T
+    get() = resultValueOrNull ?: error("Result is not present in $this")

kmath-stat/src/commonMain/kotlin/space/kscience/kmath/optimization/OptimizationBuilder.kt

@@ -0,0 +1,93 @@
+/*
+ * Copyright 2018-2021 KMath contributors.
+ * Use of this source code is governed by the Apache 2.0 license that can be found in the license/LICENSE.txt file.
+ */
+
+package space.kscience.kmath.optimization
+
+import space.kscience.kmath.data.XYColumnarData
+import space.kscience.kmath.expressions.DifferentiableExpression
+import space.kscience.kmath.expressions.Symbol
+import space.kscience.kmath.misc.FeatureSet
+
+public abstract class OptimizationBuilder<T, R : OptimizationProblem<T>> {
+    public val features: ArrayList<OptimizationFeature> = ArrayList()
+
+    public fun addFeature(feature: OptimizationFeature) {
+        features.add(feature)
+    }
+
+    public inline fun <reified T : OptimizationFeature> updateFeature(update: (T?) -> T) {
+        val existing = features.find { it.key == T::class } as? T
+        val new = update(existing)
+        if (existing != null) {
+            features.remove(existing)
+        }
+        addFeature(new)
+    }
+
+    public abstract fun build(): R
+}
+
+public fun <T> OptimizationBuilder<T, *>.startAt(startingPoint: Map<Symbol, T>) {
+    addFeature(OptimizationStartPoint(startingPoint))
+}
+
+public class FunctionOptimizationBuilder<T>(
+    private val expression: DifferentiableExpression<T>,
+) : OptimizationBuilder<T, FunctionOptimization<T>>() {
+    override fun build(): FunctionOptimization<T> = FunctionOptimization(FeatureSet.of(features), expression)
+}
+
+public fun <T> FunctionOptimization(
+    expression: DifferentiableExpression<T>,
+    builder: FunctionOptimizationBuilder<T>.() -> Unit,
+): FunctionOptimization<T> = FunctionOptimizationBuilder(expression).apply(builder).build()
+
+public suspend fun <T> DifferentiableExpression<T>.optimizeWith(
+    optimizer: Optimizer<T, FunctionOptimization<T>>,
+    startingPoint: Map<Symbol, T>,
+    builder: FunctionOptimizationBuilder<T>.() -> Unit = {},
+): FunctionOptimization<T> {
+    val problem = FunctionOptimization<T>(this) {
+        startAt(startingPoint)
+        builder()
+    }
+    return optimizer.optimize(problem)
+}
+
+public suspend fun <T> DifferentiableExpression<T>.optimizeWith(
+    optimizer: Optimizer<T, FunctionOptimization<T>>,
+    vararg startingPoint: Pair<Symbol, T>,
+    builder: FunctionOptimizationBuilder<T>.() -> Unit = {},
+): FunctionOptimization<T> {
+    val problem = FunctionOptimization<T>(this) {
+        startAt(mapOf(*startingPoint))
+        builder()
+    }
+    return optimizer.optimize(problem)
+}
+
+
+public class XYOptimizationBuilder(
+    public val data: XYColumnarData<Double, Double, Double>,
+    public val model: DifferentiableExpression<Double>,
+) : OptimizationBuilder<Double, XYOptimization>() {
+
+    public var pointToCurveDistance: PointToCurveDistance = PointToCurveDistance.byY
+    public var pointWeight: PointWeight = PointWeight.byYSigma
+
+    override fun build(): XYOptimization = XYOptimization(
+        FeatureSet.of(features),
+        data,
+        model,
+        pointToCurveDistance,
+        pointWeight
+    )
+}
+
+public fun XYOptimization(
+    data: XYColumnarData<Double, Double, Double>,
+    model: DifferentiableExpression<Double>,
+    builder: XYOptimizationBuilder.() -> Unit,
+): XYOptimization = XYOptimizationBuilder(data, model).apply(builder).build()

kmath-stat/src/commonMain/kotlin/space/kscience/kmath/optimization/OptimizationProblem.kt

@@ -5,37 +5,61 @@
 
 package space.kscience.kmath.optimization
 
+import space.kscience.kmath.expressions.DifferentiableExpression
 import space.kscience.kmath.expressions.Symbol
-import space.kscience.kmath.misc.FeatureSet
+import space.kscience.kmath.linear.Matrix
-import space.kscience.kmath.misc.Featured
+import space.kscience.kmath.misc.*
-import space.kscience.kmath.misc.Loggable
 import kotlin.reflect.KClass
 
-public interface OptimizationFeature {
+public interface OptimizationFeature : Feature<OptimizationFeature> {
+    // enforce toString override
     override fun toString(): String
 }
 
-public interface OptimizationProblem : Featured<OptimizationFeature> {
+public interface OptimizationProblem<T> : Featured<OptimizationFeature> {
     public val features: FeatureSet<OptimizationFeature>
-    override fun <T : OptimizationFeature> getFeature(type: KClass<out T>): T? = features.getFeature(type)
+    override fun <F : OptimizationFeature> getFeature(type: KClass<out F>): F? = features.getFeature(type)
 }
 
-public inline fun <reified T : OptimizationFeature> OptimizationProblem.getFeature(): T? = getFeature(T::class)
+public inline fun <reified F : OptimizationFeature> OptimizationProblem<*>.getFeature(): F? = getFeature(F::class)
 
 public open class OptimizationStartPoint<T>(public val point: Map<Symbol, T>) : OptimizationFeature {
     override fun toString(): String = "StartPoint($point)"
 }
 
+
+public interface OptimizationPrior<T> : OptimizationFeature, DifferentiableExpression<T> {
+    override val key: FeatureKey<OptimizationFeature> get() = OptimizationPrior::class
+}
+
+public class OptimizationCovariance<T>(public val covariance: Matrix<T>) : OptimizationFeature {
+    override fun toString(): String = "Covariance($covariance)"
+}
+
+/**
+ * Get the starting point for optimization. Throws error if not defined.
+ */
+public val <T> OptimizationProblem<T>.startPoint: Map<Symbol, T>
+    get() = getFeature<OptimizationStartPoint<T>>()?.point
+        ?: error("Starting point not defined in $this")
+
 public open class OptimizationResult<T>(public val point: Map<Symbol, T>) : OptimizationFeature {
     override fun toString(): String = "Result($point)"
 }
 
+public val <T> OptimizationProblem<T>.resultPointOrNull: Map<Symbol, T>?
+    get() = getFeature<OptimizationResult<T>>()?.point
+
+public val <T> OptimizationProblem<T>.resultPoint: Map<Symbol, T>
+    get() = resultPointOrNull ?: error("Result is not present in $this")
+
 public class OptimizationLog(private val loggable: Loggable) : Loggable by loggable, OptimizationFeature {
     override fun toString(): String = "Log($loggable)"
 }
 
 public class OptimizationParameters(public val symbols: List<Symbol>) : OptimizationFeature {
     public constructor(vararg symbols: Symbol) : this(listOf(*symbols))
+
     override fun toString(): String = "Parameters($symbols)"
 }
 

kmath-stat/src/commonMain/kotlin/space/kscience/kmath/optimization/Optimizer.kt

@@ -5,6 +5,6 @@
 
 package space.kscience.kmath.optimization
 
-public interface Optimizer<P : OptimizationProblem> {
+public interface Optimizer<T, P : OptimizationProblem<T>> {
     public suspend fun optimize(problem: P): P
 }

kmath-stat/src/commonMain/kotlin/space/kscience/kmath/optimization/QowOptimizer.kt

@@ -0,0 +1,247 @@
+/*
+ * Copyright 2018-2021 KMath contributors.
+ * Use of this source code is governed by the Apache 2.0 license that can be found in the license/LICENSE.txt file.
+ */
+
+package space.kscience.kmath.optimization
+
+import space.kscience.kmath.expressions.DifferentiableExpression
+import space.kscience.kmath.expressions.Symbol
+import space.kscience.kmath.expressions.SymbolIndexer
+import space.kscience.kmath.expressions.derivative
+import space.kscience.kmath.linear.*
+import space.kscience.kmath.misc.UnstableKMathAPI
+import space.kscience.kmath.operations.DoubleField
+import space.kscience.kmath.structures.DoubleBuffer
+import space.kscience.kmath.structures.DoubleL2Norm
+
+
+/**
+ * An optimizer based onf Fyodor Tkachev's quasi-optimal weights method.
+ * See [the article](http://arxiv.org/abs/physics/0604127).
+ */
+@UnstableKMathAPI
+public class QowOptimizer : Optimizer<Double, XYOptimization> {
+
+    private val linearSpace: LinearSpace<Double, DoubleField> = LinearSpace.double
+    private val solver: LinearSolver<Double> = linearSpace.lupSolver()
+
+    @OptIn(UnstableKMathAPI::class)
+    private inner class QoWeight(
+        val problem: XYOptimization,
+        val parameters: Map<Symbol, Double>,
+    ) : Map<Symbol, Double> by parameters, SymbolIndexer {
+        override val symbols: List<Symbol> = parameters.keys.toList()
+
+        val data get() = problem.data
+
+        /**
+         * Derivatives of the spectrum over parameters. First index in the point number, second one - index of parameter
+         */
+        val derivs: Matrix<Double> by lazy {
+            linearSpace.buildMatrix(problem.data.size, symbols.size) { i, k ->
+                problem.distance(i).derivative(symbols[k])(parameters)
+            }
+        }
+
+        /**
+         * Array of dispersions in each point
+         */
+        val dispersion: Point<Double> by lazy {
+            DoubleBuffer(problem.data.size) { i ->
+                problem.weight(i).invoke(parameters)
+            }
+        }
+
+        val prior: DifferentiableExpression<Double>? get() = problem.getFeature<OptimizationPrior<Double>>()
+    }
+
+    /**
+     * The signed distance from the model to the [i]-th point of data.
+     */
+    private fun QoWeight.distance(i: Int, parameters: Map<Symbol, Double>): Double = problem.distance(i)(parameters)
+
+
+    /**
+     * The derivative of [distance]
+     */
+    private fun QoWeight.distanceDerivative(symbol: Symbol, i: Int, parameters: Map<Symbol, Double>): Double =
+        problem.distance(i).derivative(symbol)(parameters)
+
+    /**
+     * Теоретическая ковариация весовых функций.
+     *
+     * D(\phi)=E(\phi_k(\theta_0) \phi_l(\theta_0))= disDeriv_k * disDeriv_l /sigma^2
+     */
+    private fun QoWeight.covarF(): Matrix<Double> =
+        linearSpace.matrix(size, size).symmetric { k, l ->
+            (0 until data.size).sumOf { i -> derivs[k, i] * derivs[l, i] / dispersion[i] }
+        }
+
+    /**
+     * Экспериментальная ковариация весов. Формула (22) из
+     * http://arxiv.org/abs/physics/0604127
+     */
+    private fun QoWeight.covarFExp(theta: Map<Symbol, Double>): Matrix<Double> =
+        with(linearSpace) {
+            /*
+             * Важно! Если не делать предварителього вычисления этих производных, то
+             * количество вызывов функции будет dim^2 вместо dim Первый индекс -
+             * номер точки, второй - номер переменной, по которой берется производная
+             */
+            val eqvalues = linearSpace.buildMatrix(data.size, size) { i, l ->
+                distance(i, theta) * derivs[l, i] / dispersion[i]
+            }
+
+            buildMatrix(size, size) { k, l ->
+                (0 until data.size).sumOf { i -> eqvalues[i, l] * eqvalues[i, k] }
+            }
+        }
+
+    /**
+     * Equation derivatives for Newton run
+     */
+    private fun QoWeight.getEqDerivValues(
+        theta: Map<Symbol, Double> = parameters,
+    ): Matrix<Double> = with(linearSpace) {
+        val fitDim = size
+        //Возвращает производную k-того Eq по l-тому параметру
+        //val res = Array(fitDim) { DoubleArray(fitDim) }
+        val sderiv = buildMatrix(data.size, size) { i, l ->
+            distanceDerivative(symbols[l], i, theta)
+        }
+
+        buildMatrix(size, size) { k, l ->
+            val base = (0 until data.size).sumOf { i ->
+                require(dispersion[i] > 0)
+                sderiv[i, l] * derivs[k, i] / dispersion[i]
+            }
+            prior?.let { prior ->
+                //Check if this one is correct
+                val pi = prior(theta)
+                val deriv1 = prior.derivative(symbols[k])(theta)
+                val deriv2 = prior.derivative(symbols[l])(theta)
+                base + deriv1 * deriv2 / pi / pi
+            } ?: base
+        }
+    }
+
+
+    /**
+     * Значения уравнений метода квазиоптимальных весов
+     */
+    private fun QoWeight.getEqValues(theta: Map<Symbol, Double> = this): Point<Double> {
+        val distances = DoubleBuffer(data.size) { i -> distance(i, theta) }
+
+        return DoubleBuffer(size) { k ->
+            val base = (0 until data.size).sumOf { i -> distances[i] * derivs[k, i] / dispersion[i] }
+            //Поправка на априорную вероятность
+            prior?.let { prior ->
+                base - prior.derivative(symbols[k])(theta) / prior(theta)
+            } ?: base
+        }
+    }
+
+
+    private fun QoWeight.newtonianStep(
+        theta: Map<Symbol, Double>,
+        eqvalues: Point<Double>,
+    ): QoWeight = linearSpace {
+        with(this@newtonianStep) {
+            val start = theta.toPoint()
+            val invJacob = solver.inverse(this@newtonianStep.getEqDerivValues(theta))
+
+            val step = invJacob.dot(eqvalues)
+            return QoWeight(problem, theta + (start - step).toMap())
+        }
+    }
+
+    private fun QoWeight.newtonianRun(
+        maxSteps: Int = 100,
+        tolerance: Double = 0.0,
+        fast: Boolean = false,
+    ): QoWeight {
+
+        val logger = problem.getFeature<OptimizationLog>()
+
+        var dis: Double//норма невязки
+        // Для удобства работаем всегда с полным набором параметров
+        var par = problem.startPoint
+
+        logger?.log { "Starting newtonian iteration from: \n\t$par" }
+
+        var eqvalues = getEqValues(par)//значения функций
+
+        dis = DoubleL2Norm.norm(eqvalues)// невязка
+        logger?.log { "Starting discrepancy is $dis" }
+        var i = 0
+        var flag = false
+        while (!flag) {
+            i++
+            logger?.log { "Starting step number $i" }
+
+            val currentSolution = if (fast) {
+                //Берет значения матрицы в той точке, где считается вес
+                newtonianStep(this, eqvalues)
+            } else {
+                //Берет значения матрицы в точке par
+                newtonianStep(par, eqvalues)
+            }
+            // здесь должен стоять учет границ параметров
+            logger?.log { "Parameter values after step are: \n\t$currentSolution" }
+
+            eqvalues = getEqValues(currentSolution)
+            val currentDis = DoubleL2Norm.norm(eqvalues)// невязка после шага
+
+            logger?.log { "The discrepancy after step is: $currentDis." }
+
+            if (currentDis >= dis && i > 1) {
+                //дополнительно проверяем, чтобы был сделан хотя бы один шаг
+                flag = true
+                logger?.log { "The discrepancy does not decrease. Stopping iteration." }
+            } else {
+                par = currentSolution
+                dis = currentDis
+            }
+            if (i >= maxSteps) {
+                flag = true
+                logger?.log { "Maximum number of iterations reached. Stopping iteration." }
+            }
+            if (dis <= tolerance) {
+                flag = true
+                logger?.log { "Tolerance threshold is reached. Stopping iteration." }
+            }
+        }
+
+        return QoWeight(problem, par)
+    }
+
+    private fun QoWeight.covariance(): Matrix<Double> {
+        val logger = problem.getFeature<OptimizationLog>()
+
+        logger?.log {
+            """
+            Starting errors estimation using quasioptimal weights method. The starting weight is:
+                ${problem.startPoint}
+             """.trimIndent()
+        }
+
+        val covar = solver.inverse(getEqDerivValues())
+        //TODO fix eigenvalues check
+//        val decomposition = EigenDecomposition(covar.matrix)
+//        var valid = true
+//        for (lambda in decomposition.realEigenvalues) {
+//            if (lambda <= 0) {
+//                logger?.log { "The covariance matrix is not positive defined. Error estimation is not valid" }
+//                valid = false
+//            }
+//        }
+        return covar
+    }
+
+    override suspend fun optimize(problem: XYOptimization): XYOptimization {
+        val initialWeight = QoWeight(problem, problem.startPoint)
+        val res = initialWeight.newtonianRun()
+        return res.problem.withFeature(OptimizationResult(res.parameters))
+    }
+}

kmath-stat/src/commonMain/kotlin/space/kscience/kmath/optimization/XYOptimization.kt

@@ -7,13 +7,21 @@
 package space.kscience.kmath.optimization
 
 import space.kscience.kmath.data.XYColumnarData
+import space.kscience.kmath.data.indices
 import space.kscience.kmath.expressions.DifferentiableExpression
 import space.kscience.kmath.expressions.Expression
 import space.kscience.kmath.expressions.Symbol
+import space.kscience.kmath.expressions.derivative
 import space.kscience.kmath.misc.FeatureSet
 import space.kscience.kmath.misc.UnstableKMathAPI
+import kotlin.math.PI
+import kotlin.math.ln
 import kotlin.math.pow
+import kotlin.math.sqrt
 
+/**
+ * Specify the way to compute distance from point to the curve as DifferentiableExpression
+ */
 public interface PointToCurveDistance : OptimizationFeature {
     public fun distance(problem: XYOptimization, index: Int): DifferentiableExpression<Double>
 
@@ -33,42 +41,107 @@ public interface PointToCurveDistance : OptimizationFeature {
             }
 
             override fun toString(): String = "PointToCurveDistanceByY"
-
         }
-
     }
 }
 
+/**
+ * Compute a wight of the point. The more the weight, the more impact this point will have on the fit.
+ * By default uses Dispersion^-1
+ */
+public interface PointWeight : OptimizationFeature {
+    public fun weight(problem: XYOptimization, index: Int): DifferentiableExpression<Double>
+
+    public companion object {
+        public fun bySigma(sigmaSymbol: Symbol): PointWeight = object : PointWeight {
+            override fun weight(problem: XYOptimization, index: Int): DifferentiableExpression<Double> =
+                object : DifferentiableExpression<Double> {
+                    override fun invoke(arguments: Map<Symbol, Double>): Double {
+                        return problem.data[sigmaSymbol]?.get(index)?.pow(-2) ?: 1.0
+                    }
+
+                    override fun derivativeOrNull(symbols: List<Symbol>): Expression<Double> = Expression { 0.0 }
+                }
+
+            override fun toString(): String = "PointWeightBySigma($sigmaSymbol)"
+
+        }
+
+        public val byYSigma: PointWeight = bySigma(Symbol.yError)
+    }
+}
+
+/**
+ * An optimization for XY data.
+ */
 public class XYOptimization(
     override val features: FeatureSet<OptimizationFeature>,
     public val data: XYColumnarData<Double, Double, Double>,
     public val model: DifferentiableExpression<Double>,
-) : OptimizationProblem
+    internal val pointToCurveDistance: PointToCurveDistance = PointToCurveDistance.byY,
+    internal val pointWeight: PointWeight = PointWeight.byYSigma,
+) : OptimizationProblem<Double> {
+    public fun distance(index: Int): DifferentiableExpression<Double> = pointToCurveDistance.distance(this, index)
 
+    public fun weight(index: Int): DifferentiableExpression<Double> = pointWeight.weight(this, index)
+}
 
-public suspend fun Optimizer<FunctionOptimization<Double>>.maximumLogLikelihood(problem: XYOptimization): XYOptimization {
+public fun XYOptimization.withFeature(vararg features: OptimizationFeature): XYOptimization {
-    val distanceBuilder = problem.getFeature() ?: PointToCurveDistance.byY
+    return XYOptimization(this.features.with(*features), data, model, pointToCurveDistance, pointWeight)
-    val likelihood: DifferentiableExpression<Double> = object : DifferentiableExpression<Double> {
+}
-        override fun derivativeOrNull(symbols: List<Symbol>): Expression<Double>? {
+
-            TODO("Not yet implemented")
+private val oneOver2Pi = 1.0 / sqrt(2 * PI)
+
+internal fun XYOptimization.likelihood(): DifferentiableExpression<Double> = object : DifferentiableExpression<Double> {
+    override fun derivativeOrNull(symbols: List<Symbol>): Expression<Double> = Expression { arguments ->
+        data.indices.sumOf { index ->
+
+            val d = distance(index)(arguments)
+            val weight = weight(index)(arguments)
+            val weightDerivative = weight(index)(arguments)
+
+            //  -1 / (sqrt(2 PI) * sigma) + 2 (x-mu)/ 2 sigma^2 * d mu/ d theta - (x-mu)^2 / 2 * d w/ d theta
+            return@sumOf -oneOver2Pi * sqrt(weight) + //offset derivative
+                    d * model.derivative(symbols)(arguments) * weight - //model derivative
+                    d.pow(2) * weightDerivative / 2 //weight derivative
+        }
     }
 
     override fun invoke(arguments: Map<Symbol, Double>): Double {
-            var res = 0.0
+        return data.indices.sumOf { index ->
-            for (index in 0 until problem.data.size) {
+            val d = distance(index)(arguments)
-                val d = distanceBuilder.distance(problem, index).invoke(arguments)
+            val weight = weight(index)(arguments)
-                val sigma: Double = TODO()
+            //1/sqrt(2 PI sigma^2) - (x-mu)^2/ (2 * sigma^2)
-                res -= (d / sigma).pow(2)
+            oneOver2Pi * ln(weight) - d.pow(2) * weight
-            }
+        } / 2
-            return res
     }
 
 }
-    val functionOptimization = FunctionOptimization(problem.features, likelihood)
+
-    val result = optimize(functionOptimization)
+/**
+ * Optimize given XY (least squares) [problem] using this function [Optimizer].
+ * The problem is treated as maximum likelihood problem and is done via maximizing logarithmic likelihood, respecting
+ * possible weight dependency on the model and parameters.
+ */
+public suspend fun Optimizer<Double, FunctionOptimization<Double>>.maximumLogLikelihood(problem: XYOptimization): XYOptimization {
+    val functionOptimization = FunctionOptimization(problem.features, problem.likelihood())
+    val result = optimize(functionOptimization.withFeatures(FunctionOptimizationTarget.MAXIMIZE))
     return XYOptimization(result.features, problem.data, problem.model)
 }
 
+public suspend fun Optimizer<Double, FunctionOptimization<Double>>.maximumLogLikelihood(
+    data: XYColumnarData<Double, Double, Double>,
+    model: DifferentiableExpression<Double>,
+    builder: XYOptimizationBuilder.() -> Unit,
+): XYOptimization = maximumLogLikelihood(XYOptimization(data, model, builder))
+
+//public suspend fun XYColumnarData<Double, Double, Double>.fitWith(
+//    optimizer: XYOptimization,
+//    problemBuilder: XYOptimizationBuilder.() -> Unit = {},
+//
+//)
+
+
 //
 //@UnstableKMathAPI
 //public interface XYFit<T> : OptimizationProblem {

kmath-stat/src/commonMain/tmp/minuit/CombinedMinimumBuilder.kt

@@ -16,6 +16,7 @@
 package ru.inr.mass.minuit
 
 import space.kscience.kmath.optimization.minuit.MINUITPlugin
+import space.kscience.kmath.optimization.minuit.MinimumSeed
 
 /**
  *

kmath-stat/src/commonMain/tmp/minuit/FunctionMinimum.kt

@@ -16,6 +16,7 @@
 package ru.inr.mass.minuit
 
 import ru.inr.mass.minuit.*
+import space.kscience.kmath.optimization.minuit.MinimumSeed
 
 /**
  * Result of the minimization.

kmath-stat/src/commonMain/tmp/minuit/MinimumBuilder.kt

@@ -15,6 +15,8 @@
  */
 package ru.inr.mass.minuit
 
+import space.kscience.kmath.optimization.minuit.MinimumSeed
+
 /**
  *
  * @version $Id$

kmath-stat/src/commonMain/tmp/minuit/MinimumSeed.kt

@@ -13,7 +13,9 @@
  * See the License for the specific language governing permissions and
  * limitations under the License.
  */
-package ru.inr.mass.minuit
+package space.kscience.kmath.optimization.minuit
+
+import ru.inr.mass.minuit.*
 
 /**
  *

kmath-stat/src/commonMain/tmp/minuit/MinimumSeedGenerator.kt

@@ -15,6 +15,8 @@
  */
 package ru.inr.mass.minuit
 
+import space.kscience.kmath.optimization.minuit.MinimumSeed
+
 /**
  * base class for seed generators (starting values); the seed generator prepares
  * initial starting values from the input (MnUserParameterState) for the

kmath-stat/src/commonMain/tmp/minuit/MnSeedGenerator.kt

@@ -17,6 +17,7 @@ package ru.inr.mass.minuit
 
 import space.kscience.kmath.optimization.minuit.MINUITPlugin
 import ru.inr.mass.minuit.*
+import space.kscience.kmath.optimization.minuit.MinimumSeed
 
 /**
  *