diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml index 17a4466..ecf1302 100644 --- a/.github/workflows/release.yml +++ b/.github/workflows/release.yml @@ -25,8 +25,8 @@ env: # you must update the containers in pyproject.toml under tool.cibuildwheel. # # See: https://github.com/wenkokke/manylinux_ghc - DEFAULT_GHC_VERSION: "9.12" - DEFAULT_CABAL_VERSION: "3.14" + DEFAULT_GHC_VERSION: "9.14.1" + DEFAULT_CABAL_VERSION: "3.16" DEFAULT_PYTHON_VERSION: "3.12" jobs: @@ -41,11 +41,11 @@ jobs: strategy: matrix: job: - #- os: - # name: "Linux" - # runner: "ubuntu-24.04-arm" - # arch: "aarch64" - # plat: "manylinux" + - os: + name: "Linux" + runner: "ubuntu-24.04-arm" + arch: "aarch64" + plat: "manylinux" #- os: # name: "Linux" # runner: "ubuntu-latest" @@ -61,16 +61,16 @@ jobs: # runner: "ubuntu-latest" # arch: "x86_64" # plat: "musllinux" - #- os: - # name: "macOS" - # runner: "macos-15-intel" - # arch: "x86_64" - # plat: "macosx" - #- os: - # name: "macOS" - # runner: "macos-14" - # arch: "arm64" - # plat: "macosx" + - os: + name: "macOS" + runner: "macos-15-intel" + arch: "x86_64" + plat: "macosx" + - os: + name: "macOS" + runner: "macos-15" + arch: "arm64" + plat: "macosx" #- os: # name: "Windows" # runner: "windows-latest" @@ -95,11 +95,23 @@ jobs: - # Required to run job via act: https://github.com/nektos/act run: pip install -r "./requirements-ci.txt" - - # 19-05-2023: - # Required to build the wheels on macOS and Windows, but not on Linux, - # as Linux builds are run in containers, where GHC and Cabal are built - # by the `./scripts/before-all.sh` scripts. - if: matrix.job.os.name == 'macOS' || matrix.job.os.name == 'Windows' + - if: matrix.job.os.name == 'macOS' + name: Install GHC and Cabal via ghcup + run: | + ARCH=$(uname -m) + if [ "$ARCH" = "arm64" ]; then GHCUP_ARCH="aarch64-apple-darwin"; else GHCUP_ARCH="x86_64-apple-darwin"; fi + curl -L https://github.com/haskell/ghcup-hs/releases/download/v0.2.6.2/${GHCUP_ARCH}-ghcup-0.2.6.2 -o /usr/local/bin/ghcup + chmod +x /usr/local/bin/ghcup + ghcup install ghc 9.14.1 + ghcup install cabal 3.16 + ghcup set ghc 9.14.1 + export PATH="$HOME/.ghcup/bin:$PATH" + cabal update + echo "$HOME/.ghcup/bin" >> $GITHUB_PATH + echo "GHC=$HOME/.ghcup/bin/ghc" >> $GITHUB_ENV + echo "CABAL=$HOME/.ghcup/bin/cabal" >> $GITHUB_ENV + + - if: matrix.job.os.name == 'Windows' uses: haskell-actions/setup@v2 with: ghc-version: ${{ env.DEFAULT_GHC_VERSION }} @@ -147,14 +159,15 @@ jobs: name: Install Homebrew dependencies run: | brew update - brew install nlopt + brew install nlopt libpq - if: matrix.job.os.name == 'macOS' name: Configure environment variables run: | echo "LIBRARY_PATH=/usr/local/lib:/opt/homebrew/lib" >> $GITHUB_ENV echo "CPATH=/usr/local/include:/opt/homebrew/include" >> $GITHUB_ENV echo "DYLD_LIBRARY_PATH=/opt/homebrew/lib" >> $GITHUB_ENV - echo "MACOSX_DEPLOYMENT_TARGET=14.0" >> $GITHUB_ENV + echo "MACOSX_DEPLOYMENT_TARGET=15.0" >> $GITHUB_ENV + echo "PATH=/usr/local/opt/libpq/bin:/opt/homebrew/opt/libpq/bin:$PATH" >> $GITHUB_ENV - # 19-06-2023: # Required to build aarch64 wheels. @@ -179,7 +192,33 @@ jobs: env: CIBW_ARCHS: "${{ matrix.job.os.arch }}" CIBW_BUILD: "*${{ matrix.job.os.plat }}*" - MACOSX_DEPLOYMENT_TARGET: ${{ matrix.os.runner == 'macos-14' && '14.0' || '14.0' }} + CIBW_BEFORE_ALL_LINUX: > + dnf install -y gcc gcc-c++ make cmake curl git gmp-devel libffi-devel ncurses-devel zlib-devel openssl-devel krb5-devel libxml2-devel && + ARCH=$(uname -m) && + if [ "$ARCH" = "aarch64" ]; then PG_ARCH="aarch64"; else PG_ARCH="x86_64"; fi && + dnf install -y https://download.postgresql.org/pub/repos/yum/reporpms/EL-9-${PG_ARCH}/pgdg-redhat-repo-latest.noarch.rpm && + dnf -qy module disable postgresql && + dnf install -y postgresql16-devel postgresql16-libs && + if [ "$ARCH" = "aarch64" ]; then GHCU_ARCH="aarch64"; else GHCU_ARCH="x86_64"; fi && + curl -L https://github.com/haskell/ghcup-hs/releases/download/v0.2.6.2/${GHCU_ARCH}-linux-ghcup-0.2.6.2 -o /usr/local/bin/ghcup && + chmod +x /usr/local/bin/ghcup && + ghcup install ghc 9.14.1 && + ghcup install cabal 3.16 && + ghcup set ghc 9.14.1 && + git clone --depth 1 https://github.com/stevengj/nlopt.git /tmp/nlopt && + cd /tmp/nlopt && mkdir build && cd build && + cmake .. -DCMAKE_INSTALL_PREFIX=/usr/local -DLIB_SUFFIX=64 && + make -j$(nproc) && make install && ldconfig && + ln -sf /usr/pgsql-16/lib/libpq.so* /usr/local/lib64/ && + ln -sf /usr/pgsql-16/lib/libpq.a /usr/local/lib64/ && + ln -sf /usr/pgsql-16/lib/pg_config* /usr/local/lib64/ && + ln -sf /usr/pgsql-16/include/libpq-fe.h /usr/local/include/ && + ln -sf /usr/pgsql-16/include/pg_config.h /usr/local/include/ && + ln -sf /usr/pgsql-16/include/postgresql /usr/local/include/postgresql && + ln -sf /usr/pgsql-16/lib/libpgcommon* /usr/local/lib64/ && + ldconfig + CIBW_ENVIRONMENT_LINUX: 'PATH=/root/.ghcup/bin:/usr/pgsql-16/bin:$PATH LIBRARY_PATH=/usr/local/lib64:/usr/pgsql-16/lib LD_LIBRARY_PATH=/usr/local/lib64:/usr/pgsql-16/lib C_INCLUDE_PATH=/usr/local/include:/usr/pgsql-16/include PKG_CONFIG_PATH=/usr/local/lib64/pkgconfig:/usr/pgsql-16/lib/pkgconfig' + MACOSX_DEPLOYMENT_TARGET: ${{ matrix.os.runner == 'macos-15' && '15.0' || '15.0' }} - # Build source distribution (sdist) run: | diff --git a/.gitignore b/.gitignore index ac32f27..005c249 100644 --- a/.gitignore +++ b/.gitignore @@ -24,3 +24,4 @@ cabal.project.local~ build binding.py binding_wrap.c +*.tsv diff --git a/1.6.20.csv b/1.6.20.csv new file mode 100644 index 0000000..8daa6df --- /dev/null +++ b/1.6.20.csv @@ -0,0 +1,501 @@ +x1,x2,y +-1.1943580588192269,0.2,7.174557265854985e-8 +-0.11438882316450487,0.4,0.9548646653075644 +0.04426784858514904,0.6,0.4408953931472473 +0.6411311056245433,0.8,0.18037412773347566 +-0.05626292353446324,0.2,3.824507698260628 +-0.3447229687563963,0.4,0.6861550584080889 +0.20906392522813758,0.6,0.4160578021435691 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e-graph and DB for + already-seen expressions +- Python API: `dbFile`, `dbDataset`, `dbCacheSize`, `dbFlushEvery` parameters +- SWIG binding updated for DB mode parameters +- Fixed profile-likelihood CI distribution mapping: non-NLL losses (MSE, LOG10, + MAE, MAPE, Pinball) now correctly use `LeastSquares` distribution instead of + defaulting to `Gaussian` (which adds a spurious sigma parameter) +- Changed profile method from `Constrained` to `Bates` for more robust CIs +- CI output uses `showNA` to display "NA" for NaN/Inf values +- Fixed `csvHeader` to use `actualMaxP` (computed from Pareto front) instead of + `_nParams` arg, ensuring enough CI columns when `--n-params -1` +- Added `computeMaxP` to walk Pareto front and find actual max parameter count +- **`trace=True` no longer computes per-generation CIs**: `printExpr` now takes a + `withCI` flag; the trace loop skips profile-likelihood CI computation per + individual per generation (a severe slowdown), while the final Pareto front + still computes CIs +- **`evaluate_best_model` picks the best-fit Pareto member**: selects the row + with minimum `loss_train` (`_best_row`) instead of `results.iloc[-1]` (the + largest/most complex member), fixing predictions on well-fit models +- Updated dependency: srtree >= 3.0.0.4, srtree-db >= 0.1.3.0 + +## 2.1.0 + +- Pareto front output now includes profile-likelihood confidence intervals + (Constrained profile method) for all fitted parameters +- CSV output gains `t_lower,t_upper` columns per parameter + +## 2.0.0 + +- Initial release with DB-backed GP mode diff --git a/README.md b/README.md index 6474ea7..f3c1c8b 100644 --- a/README.md +++ b/README.md @@ -91,7 +91,7 @@ To install eggp you'll need: - `libz` - `libnlopt` - `libgmp` -- `ghc-9.6.6` +- `ghc-9.14.1` - `cabal` or `stack` ### Method 1: PIP diff --git a/app/EGGPA.hs b/app/EGGPA.hs new file mode 100644 index 0000000..ca46597 --- /dev/null +++ b/app/EGGPA.hs @@ -0,0 +1,220 @@ +{-# LANGUAGE BlockArguments #-} +{-# LANGUAGE TupleSections #-} +{-# LANGUAGE MultiWayIf #-} +{-# LANGUAGE OverloadedStrings #-} +{-# LANGUAGE BangPatterns #-} +{-# LANGUAGE TypeSynonymInstances, FlexibleInstances #-} + +module EGGPA where + +import Algorithm.EqSat.Egraph +import Algorithm.EqSat.Simplify +import Algorithm.EqSat.Build +import Algorithm.EqSat.Queries +import Algorithm.EqSat.Info +import Algorithm.EqSat.DB +import Algorithm.SRTree.Likelihoods +import Algorithm.SRTree.ModelSelection +import Control.Lens (element, makeLenses, over, (&), (+~), (-~), (.~), (^.)) +import Control.Monad (foldM, forM_, forM, when, unless, filterM, (>=>), replicateM, replicateM_) +import Control.Monad.State.Strict +import Data.Maybe (fromJust, isNothing, isJust) +import Data.SRTree +import Data.SRTree.Datasets +import Data.SRTree.Eval +import Data.SRTree.Random (randomTree) +import Data.SRTree.Print +import System.Random +import qualified Data.HashSet as Set +import Data.List ( sort, maximumBy, intercalate, sortOn, intersperse, nub ) +import Data.IntSet (IntSet) +import qualified Data.IntSet as IntSet +import qualified Data.Sequence as FingerTree +import Data.Function ( on ) +import qualified Data.Foldable as Foldable +import qualified Data.IntMap as IntMap +import List.Shuffle ( shuffle ) +import Algorithm.SRTree.NonlinearOpt +import Data.Binary ( encode, decode ) +import qualified Data.ByteString.Lazy as BS + +import Algorithm.EqSat (runEqSat,applySingleMergeOnlyEqSat) + +import Data.SRTree (convertProtectedOps) +import Options.Applicative as Opt hiding (Const) + +import Search +import Algorithm.EqSat.SearchSR +import Algorithm.SRTree.AD (ADBackEnd(..)) +import Data.SRTree.Random +import Data.SRTree.Datasets + +import System.Environment (getArgs) +import System.Exit (ExitCode (..)) +import Data.Version (showVersion) +import Control.Exception (Exception (..), SomeException (..), handle) + +opt :: Parser Args +opt = Args + <$> strOption + ( long "dataset" + <> short 'd' + <> metavar "INPUT-FILE" + <> help "CSV dataset." ) + <*> strOption + ( long "test" + <> short 't' + <> value "" + <> showDefault + <> help "test data") + <*> option auto + ( long "generations" + <> short 'g' + <> metavar "GENS" + <> showDefault + <> value 100 + <> help "Number of generations." ) + <*> option auto + ( long "maxSize" + <> short 's' + <> help "max-size." ) + <*> option auto + ( long "folds" + <> short 'k' + <> value 1 + <> showDefault + <> help "number of folds to determine the ratio of training-validation") + <*> switch + ( long "trace" + <> help "print all evaluated expressions.") + <*> option (maybeReader readLoss) + ( long "loss" + <> value (NLL LeastSquares) + <> showDefault + <> help "loss function: MSE, LOG10, MAE, MAPE, Pinball, or a distribution (Gaussian, HGaussian, Poisson, Bernoulli, ROXY, LeastSquares).") + <*> option auto + ( long "opt-iter" + <> value 30 + <> showDefault + <> help "number of iterations in parameter optimization.") + <*> option auto + ( long "opt-retries" + <> value 1 + <> showDefault + <> help "number of retries of parameter fitting.") + <*> option auto + ( long "number-params" + <> value (-1) + <> showDefault + <> help "maximum number of parameters in the model. If this argument is absent, the number is bounded by the maximum size of the expression and there will be no repeated parameter.") + <*> option auto + ( long "nPop" + <> value 100 + <> showDefault + <> help "population size (Default: 100).") + <*> option auto + ( long "tournament-size" + <> value 2 + <> showDefault + <> help "tournament size.") + <*> option auto + ( long "pc" + <> value 1.0 + <> showDefault + <> help "probability of crossover.") + <*> option auto + ( long "pm" + <> value 0.3 + <> showDefault + <> help "probability of mutation.") + <*> strOption + ( long "non-terminals" + <> value "Add,Sub,Mul,Div,PowerAbs,Recip" + <> showDefault + <> help "set of non-terminals to use in the search." + ) + <*> strOption + ( long "dump-to" + <> value "" + <> showDefault + <> help "dump final e-graph to a file." + ) + <*> strOption + ( long "load-from" + <> value "" + <> showDefault + <> help "load initial e-graph from a file." + ) + <*> switch + ( long "generational" + <> help "replace the current population with the children instead of keeping the pareto front." + ) + <*> switch + ( long "simplify" + <> help "simplify the expressions before displaying them." + ) + <*> option auto + ( long "max-time" + <> value (-1) + <> showDefault + <> help "maximum allowed time budget (in seconds, -1 it will run for the number of generations)" + ) + <*> strOption + ( long "varnames" + <> value "" + <> showDefault + <> help "comma separated variable names." ) + <*> switch + ( long "frac-bayes-complexity" + <> help "Use n_nodes * log unique_nodes as the second objective." + ) + <*> option auto + ( long "backend" + <> value MultiThread + <> showDefault + <> help "AD backend: MultiThread or SingleThread." ) + <*> strOption + ( long "db-file" + <> value "" + <> showDefault + <> help "SQLite database file for persistent e-graph (empty = in-memory)." ) + <*> strOption + ( long "db-fit-file" + <> value "" + <> showDefault + <> help "SQLite database file for fitness cache (empty = in-memory)." ) + <*> strOption + ( long "db-dataset" + <> value "" + <> showDefault + <> help "Dataset name for DB mode (empty = derive from CSV filename)." ) + <*> option auto + ( long "db-cache-size" + <> value 100000 + <> showDefault + <> help "Max entries in the local fitness cache." ) + <*> option auto + ( long "db-flush-every" + <> value 0 + <> showDefault + <> help "Flush e-graph to DB every N generations (0 = only at end)." ) + +eggp_run :: String -> Int -> Int -> Int -> Int -> Double -> Double -> String -> String -> Int -> Int -> Int -> Int -> Int -> Bool -> Bool -> Bool -> String -> String -> String -> Bool -> String -> String -> String -> Int -> Int -> IO String +eggp_run dataset gens nPop maxSize nTournament pc pm nonterminals loss optIter optRepeat nParams folds maxTime simplify trace generational dumpTo loadFrom varnames useFracBayes dbFile dbFitFile dbDataset dbCacheSz dbFlushEvery = + case readLoss loss of + Nothing -> pure $ "Invalid loss function " <> loss + Just l -> let arg = Args dataset "" gens maxSize folds trace l optIter optRepeat nParams nPop nTournament pc pm nonterminals dumpTo loadFrom generational simplify maxTime varnames useFracBayes MultiThread dbFile dbFitFile dbDataset dbCacheSz dbFlushEvery + in eggp arg + +eggp :: Args -> IO String +eggp args = do + g <- getStdGen + let datasets = words (_dataset args) + dataTrains' <- Prelude.mapM (flip loadTrainingOnly True) datasets -- load all datasets + dataTests <- if null (_testData args) + then pure dataTrains' + else Prelude.mapM (flip loadTrainingOnly True) $ words (_testData args) + + let (dataTrainVals, g') = runState (Prelude.mapM (`splitData` (_folds args)) dataTrains') g + alg = evalStateT (egraphGP dataTrainVals dataTests args) emptyGraph + evalStateT alg g' diff --git a/app/Main.hs b/app/Main.hs new file mode 100644 index 0000000..e321bee --- /dev/null +++ b/app/Main.hs @@ -0,0 +1,25 @@ +{-# LANGUAGE BlockArguments #-} + +module Main where + +import EGGPA (eggp, opt) +import Options.Applicative as Opt +import Control.Exception (Exception (..), SomeException (..), handle) +import System.Exit (ExitCode (..), exitWith) +import System.IO (hPutStrLn, stderr) +exitHandler :: ExitCode -> IO () +exitHandler ExitSuccess = pure () +exitHandler (ExitFailure n) = exitWith (ExitFailure n) + +uncaughtExceptionHandler :: SomeException -> IO () +uncaughtExceptionHandler (SomeException e) = + hPutStrLn stderr (displayException e) >> exitWith (ExitFailure 1) + +main :: IO () +main = + handle uncaughtExceptionHandler $ + handle exitHandler $ do + args <- execParser + (Opt.info (opt <**> helper) Opt.fullDesc) + result <- eggp args + putStr result diff --git a/baddata.csv b/baddata.csv new file mode 100644 index 0000000..f16dac8 --- /dev/null +++ b/baddata.csv @@ -0,0 +1,501 @@ +x1,x2,y +1.2393644,-4.643872,1.252991 +0.26108742,2.8663802,1.5509158 +0.6849086,-1.5439928,1.3824545 +1.079956,2.8306918,3.4226975 +0.048182845,-3.950752,1.5020465 +1.0227747,3.3030548,3.5600586 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+-0.98516876,0.47056866,1.6250901 diff --git a/cabal.project b/cabal.project index 297cc1d..7c0deb5 100644 --- a/cabal.project +++ b/cabal.project @@ -1,17 +1,12 @@ packages: . -allow-newer: table-layout:*, haskeline:*, aeson:*,mwc-random:* -allow-older: base + +allow-newer: * source-repository-package type: git location: https://github.com/haskell/mwc-random tag: 2cce257158befe52417433d1e7717f11ce718aec -source-repository-package - type: git - location: https://github.com/folivetti/srtree - tag: 1fb70211430dc021079b0de0a82396452f37a139 - if os(darwin) package * extra-include-dirs: /opt/homebrew/include diff --git a/data.tsv b/data.tsv new file mode 100644 index 0000000..1f7a7f4 --- /dev/null +++ b/data.tsv @@ -0,0 +1,103897 @@ +still_alive age pericardial fractional epss lvdd wall_score wall_index alive_at_1 target +0.0 68.7818374633789 0.0 0.4202229976654053 7.8912529945373535 4.341502189636231 13.304107666015623 1.2599869966506958 0.0 29.893529891967773 +0.0 52.628211975097656 0.0 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support to first order derivative and simplification; category: Math, Data, Data Structures @@ -14,6 +14,7 @@ bug-reports: https://github.com/folivetti/eggp/issues author: Fabricio Olivetti de França maintainer: fabricio.olivetti@gmail.com copyright: 2023 Fabricio Olivetti de França +license: GPL-3.0-or-later license-file: LICENSE build-type: Custom extra-source-files: @@ -26,16 +27,17 @@ source-repository head custom-setup setup-depends: - base >=4.19 - , Cabal >=3.14 - , directory >=1 - , filepath >=1.4 + base >=4.19 && <4.22 + , Cabal >=3.14 && <3.17 + , directory >=1 && <1.4 + , filepath >=1.4 && <1.6 common warnings ghc-options: -Wall foreign-library _binding import: warnings + ghc-options: -threaded -O2 -fspec-constr -fmax-simplifier-iterations=20 -fexpose-all-unfoldings -optc-O3 type: native-shared -- 01-04-2023: @@ -53,10 +55,55 @@ foreign-library _binding EGGP Search Paths_eggp + autogen-modules: + Paths_eggp + extra-libraries: + nlopt + build-depends: + async >= 2.2 + , attoparsec >=0.14.4 && <0.15 + , attoparsec-expr >=0.1.1.2 && <0.2 + , base >=4.19 && <5 + , binary >=0.8.9.1 && <0.9 + , bytestring >=0.11 && <0.13 + , containers >=0.6.7 && <0.8 + , dlist ==1.0.* + , exceptions >=0.10.7 && <0.11 + , filepath >=1.4.0.0 && <1.6 + , hashable >=1.4.4.0 && <1.6 + , ieee754 >=0.8.0 && <0.9 + , lens >=5.2.3 && <5.4 + , list-shuffle >=1.0.0.1 && <1.1 + , mtl >=2.2 && <2.4 + , optparse-applicative >=0.17 && <0.20 + , random >=1.2 && <1.4 + , split >=0.2.5 && <0.3 + , srtree >= 3.0.0.5 + , srtree-db >= 0.1.3.2 + , direct-sqlite >= 2.3 + , text >= 1.2 && < 2.2 + , statistics >=0.16.2.1 && <0.17 + , transformers >=0.6.1.0 && <0.7 + , unordered-containers ==0.2.* + , vector >=0.12 && <0.14 + , zlib >=0.6.3 && <0.8 + , directory >=1 && <1.4 + , time >=1.9 && <1.15 + default-language: Haskell2010 + +executable eggp + import: warnings + ghc-options: -threaded -rtsopts -O2 -fspec-constr -fmax-simplifier-iterations=20 -fexpose-all-unfoldings -optc-O3 + main-is: Main.hs + hs-source-dirs: app, src + other-modules: + EGGPA + Search extra-libraries: nlopt build-depends: - attoparsec >=0.14.4 && <0.15 + async >= 2.2 + , attoparsec >=0.14.4 && <0.15 , attoparsec-expr >=0.1.1.2 && <0.2 , base >=4.19 && <5 , binary >=0.8.9.1 && <0.9 @@ -69,20 +116,19 @@ foreign-library _binding , ieee754 >=0.8.0 && <0.9 , lens >=5.2.3 && <5.4 , list-shuffle >=1.0.0.1 && <1.1 - , massiv >=1.0.4.1 && <1.1 , mtl >=2.2 && <2.4 , optparse-applicative >=0.17 && <0.19 , random >=1.2 && <1.4 - , scheduler >=2.0.0.1 && <3 , split >=0.2.5 && <0.3 - , srtree >= 2.0.1.5 + , srtree >= 3.0.0.5 + , srtree-db >= 0.1.3.2 + , direct-sqlite >= 2.3 + , text >= 1.2 && < 2.2 , statistics >=0.16.2.1 && <0.17 , transformers >=0.6.1.0 && <0.7 - , unliftio >=0.2.10 && <1 - , unliftio-core >=0.2.1 && <1 , unordered-containers ==0.2.* , vector >=0.12 && <0.14 , zlib >=0.6.3 && <0.8 - , directory - , time + , directory >=1 && <1.4 + , time >=1.9 && <1.15 default-language: Haskell2010 diff --git 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[{ name = "Fabricio Olivetti", email = "folivetti@users.noreply.github.com" }] description = "Python Wheels for eggp algorithm." readme = "README.md" @@ -75,22 +75,14 @@ build = [ "cp310-manylinux_aarch64", # GHC provides an x86_64 build for Alpine 3.12 (manylinux_2_28 compatible). # "*-musllinux_x86_64", - "cp314-macosx_x86_64", - "cp314-macosx_arm64", - "cp314-win_amd64", - "cp314-manylinux_x86_64", - "cp314-manylinux_aarch64", ] skip = [ # 18-04-2023: # PyPy builds do not work. "pp*", ] -manylinux-aarch64-image = "folivetti/manylinux_2_28_ghc9121_aarch64" -manylinux-i686-image = "folivetti/manylinux2014_ghc9121_i686" -manylinux-x86_64-image = "folivetti/manylinux_2_28_ghc9121_x86_64" -#manylinux-x86_64-image = "folivetti/manylinux2014_ghc9121_x86_64" -musllinux-x86_64-image = "folivetti/musllinux_1_1_ghc9121_x86_64" +manylinux-x86_64-image = "manylinux_2_34" +manylinux-aarch64-image = "manylinux_2_34" [tool.cibuildwheel.windows] repair-wheel-command = "delvewheel repair -w {dest_dir} {wheel} --add-path C:\\nlopt\\bin" @@ -127,7 +119,7 @@ extras = commands = {env_python} -m pytest {posargs} -[testenv:build-py{39,310,311,312,313}-{lin,mac,win}] +[testenv:build-py{39,310,311,312,313,314}-{lin,mac,win}] deps = build auditwheel; sys_platform == 'linux' diff --git a/src/EGGP.hs b/src/EGGP.hs index 4c0dc86..446b260 100644 --- a/src/EGGP.hs +++ b/src/EGGP.hs @@ -15,13 +15,9 @@ import Algorithm.EqSat.Info import Algorithm.EqSat.DB import Algorithm.SRTree.Likelihoods import Algorithm.SRTree.ModelSelection -import Algorithm.SRTree.Opt import Control.Lens (element, makeLenses, over, (&), (+~), (-~), (.~), (^.)) import Control.Monad (foldM, forM_, forM, when, unless, filterM, (>=>), replicateM, replicateM_) import Control.Monad.State.Strict -import qualified Data.IntMap.Strict as IM -import qualified Data.Map.Strict as Map -import Data.Massiv.Array as MA hiding (forM_, forM) import Data.Maybe (fromJust, isNothing, isJust) import Data.SRTree import Data.SRTree.Datasets @@ -44,23 +40,25 @@ import qualified Data.ByteString.Lazy as BS import Algorithm.EqSat (runEqSat,applySingleMergeOnlyEqSat) -import GHC.IO (unsafePerformIO) -import Control.Scheduler -import Control.Monad.IO.Unlift import Data.SRTree (convertProtectedOps) import Options.Applicative as Opt hiding (Const) import Search import Algorithm.EqSat.SearchSR +import Algorithm.SRTree.AD (ADBackEnd(..)) import Data.SRTree.Random import Data.SRTree.Datasets import Foreign.C (CInt (..), CDouble (..)) import Foreign.C.String (CString, newCString, withCString, peekCString, peekCAString, newCAString) +import Foreign.Marshal.Array (peekArray) +import Foreign.Ptr (Ptr) +import qualified Data.Vector.Unboxed as V +import qualified Data.ByteString.Char8 as B import Paths_eggp (version) import System.Environment (getArgs) import System.Exit (ExitCode (..)) -import Text.Read (readMaybe) + import Data.Version (showVersion) import Control.Exception (Exception (..), SomeException (..), handle) @@ -115,17 +113,39 @@ hs_eggp_main = \ https://arxiv.org/abs/2501.17848\n" <> header "eggp - E-graph Genetic Programming for Symbolic Regression." ) -foreign export ccall hs_eggp_run :: CString -> CInt -> CInt -> CInt -> CInt -> CDouble -> CDouble -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CString -> CString -> CString -> CInt -> IO CString +foreign export ccall hs_eggp_run :: CString -> CInt -> CInt -> CInt -> CInt -> CDouble -> CDouble -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CString -> CString -> CString -> CInt -> CString -> CString -> CString -> CInt -> CInt -> IO CString -hs_eggp_run :: CString -> CInt -> CInt -> CInt -> CInt -> CDouble -> CDouble -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CString -> CString -> CString -> CInt -> IO CString -hs_eggp_run dataset gens nPop maxSize nTournament pc pm nonterminals loss optIter optRepeat nParams folds maxTime simplify trace generational dumpTo loadFrom varnames' useFracBayes = do +hs_eggp_run :: CString -> CInt -> CInt -> CInt -> CInt -> CDouble -> CDouble -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CString -> CString -> CString -> CInt -> CString -> CString -> CString -> CInt -> CInt -> IO CString +hs_eggp_run dataset gens nPop maxSize nTournament pc pm nonterminals loss optIter optRepeat nParams folds maxTime simplify trace generational dumpTo loadFrom varnames' useFracBayes dbFile' dbFitFile' dbDataset' dbCacheSz dbFlushEvery = do dataset' <- peekCString dataset nonterminals' <- peekCString nonterminals loss' <- peekCString loss dumpTo' <- peekCString dumpTo loadFrom' <- peekCString loadFrom varnames <- peekCString varnames' - out <- eggp_run dataset' (fromIntegral gens) (fromIntegral nPop) (fromIntegral maxSize) (fromIntegral nTournament) (realToFrac pc) (realToFrac pm) nonterminals' loss' (fromIntegral optIter) (fromIntegral optRepeat) (fromIntegral nParams) (fromIntegral folds) (fromIntegral maxTime) (simplify /= 0) (trace /= 0) (generational /= 0) dumpTo' loadFrom' varnames (useFracBayes /= 0) + dbFile <- peekCString dbFile' + dbFitFile <- peekCString dbFitFile' + dbDataset <- peekCString dbDataset' + out <- eggp_run dataset' (fromIntegral gens) (fromIntegral nPop) (fromIntegral maxSize) (fromIntegral nTournament) (realToFrac pc) (realToFrac pm) nonterminals' loss' (fromIntegral optIter) (fromIntegral optRepeat) (fromIntegral nParams) (fromIntegral folds) (fromIntegral maxTime) (simplify /= 0) (trace /= 0) (generational /= 0) dumpTo' loadFrom' varnames (useFracBayes /= 0) dbFile dbFitFile dbDataset (fromIntegral dbCacheSz) (fromIntegral dbFlushEvery) + newCString out + +foreign export ccall hs_eggp_run_data :: Ptr CDouble -> Ptr CInt -> CInt -> CInt -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CDouble -> CDouble -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CString -> CString -> CString -> CInt -> CString -> CString -> CString -> CInt -> CInt -> IO CString + +hs_eggp_run_data :: Ptr CDouble -> Ptr CInt -> CInt -> CInt -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CDouble -> CDouble -> CString -> CString -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CInt -> CString -> CString -> CString -> CInt -> CString -> CString -> CString -> CInt -> CInt -> IO CString +hs_eggp_run_data dataPtr nrowsPtr ndatasets ncols header params gens nPop maxSize nTournament pc pm nonterminals loss optIter optRepeat nParams folds maxTime simplify trace generational dumpTo loadFrom varnames' useFracBayes dbFile' dbFitFile' dbDataset' dbCacheSz dbFlushEvery = do + nonterminals' <- peekCString nonterminals + loss' <- peekCString loss + dumpTo' <- peekCString dumpTo + loadFrom' <- peekCString loadFrom + varnames <- peekCString varnames' + header' <- peekCString header + params' <- peekCString params + dbFile <- peekCString dbFile' + dbFitFile <- peekCString dbFitFile' + dbDataset <- peekCString dbDataset' + out <- eggp_run_data dataPtr nrowsPtr (fromIntegral ndatasets) (fromIntegral ncols) header' params' + (fromIntegral gens) (fromIntegral nPop) (fromIntegral maxSize) (fromIntegral nTournament) (realToFrac pc) (realToFrac pm) nonterminals' loss' + (fromIntegral optIter) (fromIntegral optRepeat) (fromIntegral nParams) (fromIntegral folds) (fromIntegral maxTime) (simplify /= 0) (trace /= 0) (generational /= 0) dumpTo' loadFrom' varnames (useFracBayes /= 0) dbFile dbFitFile dbDataset (fromIntegral dbCacheSz) (fromIntegral dbFlushEvery) newCString out opt :: Parser Args @@ -161,11 +181,11 @@ opt = Args <*> switch ( long "trace" <> help "print all evaluated expressions.") - <*> option auto + <*> option (maybeReader readLoss) ( long "loss" - <> value MSE - <> showDefault - <> help "loss function: MSE, Gaussian, Poisson, Bernoulli.") + <> value (NLL LeastSquares) + <> showDefault + <> help "loss function: MSE, LOG10, MAE, MAPE, Pinball, or a distribution (Gaussian, HGaussian, Poisson, Bernoulli, ROXY, LeastSquares).") <*> option auto ( long "opt-iter" <> value 30 @@ -242,23 +262,88 @@ opt = Args ( long "frac-bayes-complexity" <> help "Use n_nodes * log unique_nodes as the second objective." ) + <*> option auto + ( long "backend" + <> value MultiThread + <> showDefault + <> help "AD backend: MultiThread or SingleThread." ) + <*> strOption + ( long "db-file" + <> value "" + <> showDefault + <> help "SQLite database file for persistent e-graph (empty = in-memory)." ) + <*> strOption + ( long "db-fit-file" + <> value "" + <> showDefault + <> help "SQLite database file for fitness cache (empty = in-memory)." ) + <*> strOption + ( long "db-dataset" + <> value "" + <> showDefault + <> help "Dataset name for DB mode (empty = derive from CSV filename)." ) + <*> option auto + ( long "db-cache-size" + <> value 100000 + <> showDefault + <> help "Max entries in the local fitness cache." ) + <*> option auto + ( long "db-flush-every" + <> value 0 + <> showDefault + <> help "Flush e-graph to DB every N generations (0 = only at end)." ) -eggp_run :: String -> Int -> Int -> Int -> Int -> Double -> Double -> String -> String -> Int -> Int -> Int -> Int -> Int -> Bool -> Bool -> Bool -> String -> String -> String -> Bool -> IO String -eggp_run dataset gens nPop maxSize nTournament pc pm nonterminals loss optIter optRepeat nParams folds maxTime simplify trace generational dumpTo loadFrom varnames useFracBayes = - case readMaybe loss of +eggp_run :: String -> Int -> Int -> Int -> Int -> Double -> Double -> String -> String -> Int -> Int -> Int -> Int -> Int -> Bool -> Bool -> Bool -> String -> String -> String -> Bool -> String -> String -> String -> Int -> Int -> IO String +eggp_run dataset gens nPop maxSize nTournament pc pm nonterminals loss optIter optRepeat nParams folds maxTime simplify trace generational dumpTo loadFrom varnames useFracBayes dbFile dbFitFile dbDataset dbCacheSz dbFlushEvery = + case readLoss loss of Nothing -> pure $ "Invalid loss function " <> loss - Just l -> let arg = Args dataset "" gens maxSize folds trace l optIter optRepeat nParams nPop nTournament pc pm nonterminals dumpTo loadFrom generational simplify maxTime varnames useFracBayes + Just l -> let arg = Args dataset "" gens maxSize folds trace l optIter optRepeat nParams nPop nTournament pc pm nonterminals dumpTo loadFrom generational simplify maxTime varnames useFracBayes MultiThread dbFile dbFitFile dbDataset dbCacheSz dbFlushEvery in eggp arg eggp :: Args -> IO String eggp args = do - g <- getStdGen let datasets = words (_dataset args) dataTrains' <- Prelude.mapM (flip loadTrainingOnly True) datasets -- load all datasets dataTests <- if null (_testData args) then pure dataTrains' else Prelude.mapM (flip loadTrainingOnly True) $ words (_testData args) + eggpWithData args dataTrains' dataTests +eggpWithData :: Args -> [DataSet] -> [DataSet] -> IO String +eggpWithData args dataTrains' dataTests = do + g <- getStdGen let (dataTrainVals, g') = runState (Prelude.mapM (`splitData` (_folds args)) dataTrains') g alg = evalStateT (egraphGP dataTrainVals dataTests args) emptyGraph evalStateT alg g' + +eggp_run_data :: Ptr CDouble -> Ptr CInt -> Int -> Int -> String -> String -> Int -> Int -> Int -> Int -> Double -> Double -> String -> String -> Int -> Int -> Int -> Int -> Int -> Bool -> Bool -> Bool -> String -> String -> String -> Bool -> String -> String -> String -> Int -> Int -> IO String +eggp_run_data dataPtr nrowsPtr ndatasets ncols header params gens nPop maxSize nTournament pc pm nonterminals loss optIter optRepeat nParams folds maxTime simplify trace generational dumpTo loadFrom varnames useFracBayes dbFile dbFitFile dbDataset dbCacheSz dbFlushEvery = + case readLoss loss of + Nothing -> pure $ "Invalid loss function " <> loss + Just l -> do + dss <- buildDataSets dataPtr nrowsPtr ndatasets ncols header params + let arg = Args "" "" gens maxSize folds trace l optIter optRepeat nParams nPop nTournament pc pm nonterminals dumpTo loadFrom generational simplify maxTime varnames useFracBayes MultiThread dbFile dbFitFile dbDataset dbCacheSz dbFlushEvery + eggpWithData arg dss dss + +-- | Build a list of DataSets from a raw row-major double buffer. The buffer +-- contains all datasets concatenated; `nrows` gives the per-dataset row +-- count. Column selection and row ranges reuse the same `:::...` params +-- parsing as the file-based `loadDataset`, so behavior is identical. +buildDataSets :: Ptr CDouble -> Ptr CInt -> Int -> Int -> String -> String -> IO [DataSet] +buildDataSets dataPtr nrowsPtr ndatasets ncols header params = do + nrows <- map fromIntegral <$> peekArray ndatasets nrowsPtr + let totalRows = sum nrows + flat <- V.fromList . map realToFrac <$> peekArray (totalRows * ncols) dataPtr + let (_, prms) = splitFileNameParams params + headerMap = zip (map B.strip (B.split ',' (B.pack header))) [0 .. ncols-1] + (ixs, iy, iyErr) = getColumns headerMap (prms !! 2) (prms !! 3) (prms !! 4) + allCols = [ V.generate totalRows (\i -> flat V.! (i*ncols + j)) | j <- [0 .. ncols-1] ] + colAt off len j = V.slice off len (allCols !! j) + mkDs off nrows' = + let (st, end) = getRows (prms !! 0) (prms !! 1) nrows' + x = map (colAt st end) ixs + y = colAt st end iy + ye = if iyErr == -1 then Nothing else Just (colAt st end iyErr) + in (x, y, ye) + offs = init (scanl (+) 0 nrows) + pure $ zipWith mkDs offs nrows diff --git a/src/Search.hs b/src/Search.hs index 7be4da9..bb1ad4c 100644 --- a/src/Search.hs +++ b/src/Search.hs @@ -4,6 +4,7 @@ {-# LANGUAGE OverloadedStrings #-} {-# LANGUAGE BangPatterns #-} {-# LANGUAGE TypeSynonymInstances, FlexibleInstances #-} +{-# LANGUAGE RankNTypes #-} module Search where @@ -15,14 +16,16 @@ import Algorithm.EqSat.Info import Algorithm.EqSat.DB import Algorithm.SRTree.Likelihoods import Algorithm.SRTree.ModelSelection -import Algorithm.SRTree.Opt +import Algorithm.SRTree.Compile (compileTree, EvalTree(..)) +import Algorithm.SRTree.ConfidenceIntervals (CIType(..), PType(..), paramCI, getAllProfiles, getStatsFromModel, CI(..), BasicStats(..)) import Control.Lens (element, makeLenses, over, (&), (+~), (-~), (.~), (^.)) -import Control.Monad (foldM, forM_, forM, when, unless, filterM, (>=>), replicateM, replicateM_) +import Control.Monad (foldM, forM_, forM, when, unless, filterM, (>=>), (<=<), replicateM, replicateM_) import Control.Monad.State.Strict -import qualified Data.IntMap.Strict as IM -import qualified Data.Map.Strict as Map -import Data.Massiv.Array as MA hiding (forM_, forM) -import Data.Maybe (fromJust, isNothing, isJust) + +import Data.HashMap.Strict (HashMap) +import qualified Data.HashMap.Strict as HashMap +import Data.Maybe (fromJust, fromMaybe, isNothing, isJust) +import qualified Data.Vector.Unboxed as V import Data.SRTree import Data.SRTree.Datasets import Data.SRTree.Eval @@ -33,10 +36,11 @@ import qualified Data.HashSet as Set import Data.List ( sort, maximumBy, intercalate, sortOn, intersperse, nub, zip4 ) import Data.IntSet (IntSet) import qualified Data.IntSet as IntSet +import qualified Data.Map as Map import qualified Data.Sequence as FingerTree import Data.Function ( on ) import qualified Data.Foldable as Foldable -import qualified Data.IntMap as IntMap + import List.Shuffle ( shuffle ) import Algorithm.SRTree.NonlinearOpt import Data.Binary ( encode, decode ) @@ -45,26 +49,36 @@ import Data.List.Split (splitOn) import Algorithm.EqSat (runEqSat,applySingleMergeOnlyEqSat) -import GHC.IO (unsafePerformIO) -import Control.Scheduler -import Control.Monad.IO.Unlift +import Control.Concurrent (getNumCapabilities) +import Control.Concurrent.Async (mapConcurrently) +import Control.Exception (evaluate) +import System.Timeout (timeout) import Data.SRTree (convertProtectedOps) import Data.SRTree.Random import Data.SRTree.Datasets import Text.ParseSR import Algorithm.EqSat.SearchSR +import Algorithm.SRTree.AD (ADBackEnd(..)) import Foreign.C (CInt (..), CDouble (..)) import Foreign.C.String (CString, newCString, withCString, peekCString, peekCAString, newCAString) import Paths_eggp (version) import System.Environment (getArgs) import System.Exit (ExitCode (..)) -import Text.Read (readMaybe) import Data.Version (showVersion) import Control.Exception (Exception (..), SomeException (..), handle) import Data.Time.Clock.POSIX +import Algorithm.EqSat.Storage.SQLite (saveGraph) +import Algorithm.EqSat.Storage.Query (getOrCreateDataset, readDatasetFit, writeDatasetFit, expressionEclass) +import Algorithm.EqSat.Storage.Types (enodeKey, parseTheta, serializeTheta) +import Algorithm.EqSat.Storage.Backend (SqlBackend) +import qualified Database.SQLite3 as SQLite +import qualified Data.Text as T +import Control.Exception (bracket) +import System.FilePath (takeFileName) + data Args = Args { _dataset :: String, _testData :: String, @@ -72,7 +86,7 @@ data Args = Args _maxSize :: Int, _folds :: Int, _trace :: Bool, - _distribution :: Distribution, + _distribution :: Loss, _optIter :: Int, _optRepeat :: Int, _nParams :: Int, @@ -87,76 +101,140 @@ data Args = Args _simplify :: Bool, _maxtime :: Int, _varnames :: String, - _useFracBayes :: Bool + _useFracBayes :: Bool, + _backend :: ADBackEnd, + _dbFile :: String, + _dbFitFile :: String, + _dbDataset :: String, + _dbCacheSz :: Int, + _dbFlushEvery :: Int } deriving (Show) -csvHeader :: String -csvHeader = "id,view,Expression,Numpy,Math,theta,size,loss_train,loss_val,loss_test,maxloss,R2_train,R2_val,R2_test,dl_train,dl_val,dl_test" +csvHeader :: Int -> String +csvHeader maxParams = "id,view,Expression,Numpy,Math,theta,size,loss_train,loss_val,loss_test,maxloss,R2_train,R2_val,R2_test,dl_train,dl_val,dl_test" + <> concatMap (\i -> ",t" <> show i <> "_lower,t" <> show i <> "_upper") [0 .. maxParams - 1] + +forceSimp :: Fix SRTree -> Fix SRTree +forceSimp t = let s = simplifyEqSatDefault t in countNodes s `seq` s egraphGP :: [(DataSet, DataSet)] -> [DataSet] -> Args -> StateT EGraph (StateT StdGen IO) String egraphGP dataTrainVals dataTests args = do when ((not.null) (_loadFrom args)) $ (io $ BS.readFile (_loadFrom args)) >>= \eg -> put (decode eg) + -- Load fitness cache from DB if in DB mode + fitCache <- if not (null (_dbFitFile args)) + then io $ loadFitnessCache (_dbFitFile args) (dbDatasetName args) + else pure HashMap.empty + insertTerms - evaluateUnevaluated fitFun + unevalInit <- gets (IntSet.toList . _unevaluated . _eDB) + fitBatchCached fitCache True fitFun unevalInit t0 <- io $ getPOSIXTime - pop <- replicateM (_nPop args) $ do ec <- insertRndExpr (_maxSize args) rndTerm rndNonTerm >>= canonical - updateIfNothing fitFun ec - pure ec - pop' <- Prelude.mapM canonical pop + pop <- replicateM (_nPop args) $ insertRndExpr (_maxSize args) rndTerm rndNonTerm >>= canonical + fitBatchCached fitCache False fitFun pop output <- if _trace args - then forM (Prelude.zip [0..] pop') $ uncurry printExpr + then forM (Prelude.zip [0..] pop) $ uncurry (printExpr False nFeats) else pure [] let m = (_nPop args) `div` (_maxSize args) mTime = if _maxtime args < 0 then Nothing else Just (fromIntegral $ _maxtime args - 5) -- add 5 seconds slack - (finalPop, finalOut, _) <- iterateFor (_gens args) t0 mTime (pop', output, _nPop args) $ \it (ps', out, curIx) -> do - newPop' <- replicateM (_nPop args) (evolve ps') + (finalPop, finalOut, _) <- iterateFor (_gens args) t0 mTime (pop, output, _nPop args) $ \it (ps', out, curIx) -> do + -- Phase 1: Generate offspring trees in parallel (read-only on e-graph) + trees <- generateTrees ps' + -- Phase 2: Batch insert all trees into the e-graph (sequential) + newPop' <- Prelude.mapM (\t -> fromTree myCost (relabel t) >>= canonical) trees + + -- Single batch eqsat pass over all new classes + if _nParams args == 0 + then runEqSat myCost rewritesWithConstant 1 >> cleanDB + else runEqSat myCost rewritesParams 1 >> cleanDB + modify' $ over (eDB . seenMatches) (const Map.empty) + + -- Batch-fit the eqsat-flagged refits (force) and the new offspring + refitIds <- gets (IntSet.toList . _refits . _eDB) + modify' $ over (eDB . refits) (const IntSet.empty) + fitBatchCached fitCache True fitFun refitIds + fitBatchCached fitCache False fitFun newPop' + + -- Store newly fitted fitness in DB + when (not (null (_dbFitFile args))) $ do + forM_ refitIds $ \eid -> do + mf <- getFitness eid + case mf of + Just f -> do thetas <- getTheta eid + let theta = if null thetas then V.empty else head thetas + io $ storeFitnessDB (_dbFitFile args) (dbDatasetName args) eid f theta + Nothing -> pure () + forM_ newPop' $ \eid -> do + mf <- getFitness eid + case mf of + Just f -> do thetas <- getTheta eid + let theta = if null thetas then V.empty else head thetas + io $ storeFitnessDB (_dbFitFile args) (dbDatasetName args) eid f theta + Nothing -> pure () out' <- if _trace args - then forM (Prelude.zip [curIx..] newPop') $ uncurry printExpr + then forM (Prelude.zip [curIx..] newPop') $ uncurry (printExpr False nFeats) else pure [] - totSz <- gets (Map.size . _eNodeToEClass) -- (IntMap.size . _eClass) + totSz <- gets (HashMap.size . _eNodeToEClass) let full = totSz > max maxMem (_nPop args) - when full (cleanEGraph >> cleanDB) + cleanedIds <- if full then Just <$> cleanEGraph else pure Nothing + when full cleanDB + + -- Periodic sync to DB + when (not (null (_dbFile args)) && _dbFlushEvery args > 0 && it `mod` _dbFlushEvery args == 0) $ do + eg <- get + io $ syncEGraphDB (_dbFile args) (dbDatasetName args) eg newPop <- if _generational args - then Prelude.mapM canonical newPop' + then maybe (Prelude.mapM canonical newPop') pure cleanedIds else do let n_paretos = (_nPop args) `div` (_maxSize args) pareto <- if (_useFracBayes args) then getParetoFront else concat <$> (forM [1 .. _maxSize args] $ \n -> getTopFitEClassWithSize n 2) - -- pareto <- concat <$> (forM [1 .. _maxSize args] $ \n -> getTopFitEClassWithSize n 2) - -- pareto <- getParetoFront let remainder = _nPop args - length pareto lft <- if full then getTopFitEClassThat remainder (const True) else pure $ Prelude.take remainder newPop' Prelude.mapM canonical (pareto <> lft) + pure (newPop, out <> out', curIx + (_nPop args)) + -- Final sync to DB + when (not (null (_dbFile args))) $ do + eg <- get + io $ syncEGraphDB (_dbFile args) (dbDatasetName args) eg + when ((not.null) (_dumpTo args)) $ get >>= (io . BS.writeFile (_dumpTo args) . encode ) + + -- When _nParams is -1, compute the actual max number of params across the + -- Pareto front so the CSV header allocates enough CI columns. + actualMaxP <- if _nParams args == -1 + then computeMaxP (_maxSize args) (_distribution args) nFeats + else pure (_nParams args) + let printExpr' = printExpr True actualMaxP pf <- if _trace args then pure finalOut - else paretoFront fitFun (_maxSize args) printExpr - pure $ unlines (csvHeader : concat pf) + else paretoFront fitFun (_maxSize args) printExpr' + pure $ unlines (csvHeader actualMaxP : concat pf) where maxSize = (_maxSize args) maxMem = 2000000 -- running 1 iter of eqsat for each new individual will consume ~3GB - fitFun = fitnessMV shouldReparam (_optRepeat args) (_optIter args) (_distribution args) dataTrainVals + fitFun = fitnessMV (_backend args) skipValEval shouldReparam (_optRepeat args) (_optIter args) (_distribution args) dataTrainVals nonTerms = parseNonTerms (_nonterminals args) - (Sz2 _ nFeats) = MA.size (getX .fst . head $ dataTrainVals) + nFeats = length $ getX (fst $ head dataTrainVals) params = if _nParams args == -1 then [param 0] else Prelude.map param [0 .. _nParams args - 1] shouldReparam = _nParams args == -1 + skipValEval = _folds args == 1 relabel = if shouldReparam then relabelParams else relabelParamsOrder - terms = if _distribution args == ROXY + terms = if _distribution args == NLL ROXY then (var 0 : params) else [var ix | ix <- [0 .. nFeats-1]] -- <> params uniNonTerms = [t | t <- nonTerms, isUni t] @@ -191,23 +269,19 @@ egraphGP dataTrainVals dataTests args = do io . putStrLn $ "cleaning" pareto <- (concat <$> (forM [1 .. _maxSize args] $ \n -> getTopFitEClassWithSize n nParetos)) >>= Prelude.mapM canonical - infos <- forM pareto (\c -> gets (_info . (IntMap.! c) . _eClass)) + infos <- forM pareto (\c -> _info <$> getEClass c) exprs <- forM pareto getBestExpr put emptyGraph newIds <- fromTrees myCost $ Prelude.map relabel exprs - forM_ (Prelude.zip newIds (Prelude.reverse infos)) $ \(eId, info) -> - insertFitness eId (fromJust $ _fitness info) (_theta info) + forM_ (Prelude.zip newIds (Prelude.reverse infos)) $ \(eId, info) -> do + let f = fromMaybe (-1.0/0.0) (_fitness info) + insertFitness eId f (_theta info) + pure newIds rndTerm = do coin <- toss if coin || _nParams args == 0 then randomFrom terms else randomFrom params rndNonTerm = randomFrom nonTerms - refitChanged = do ids <- gets (_refits . _eDB) >>= Prelude.mapM canonical . Set.toList >>= pure . nub - modify' $ over (eDB . refits) (const Set.empty) - forM_ ids $ \ec -> do t <- getBestExpr ec - (f, p) <- fitFun t - insertFitness ec f p - iterateFor 0 _ _ xs f = pure xs iterateFor n t0 maxT xs f = do xs' <- f n xs t1 <- io $ getPOSIXTime @@ -219,16 +293,17 @@ egraphGP dataTrainVals dataTests args = do then pure xs else iterateFor (n-1) t1 maxT' xs' f - evolve xs' = do xs <- Prelude.mapM canonical xs' - parents <- tournament xs - offspring <- combine parents - --applySingleMergeOnlyEqSat myCost rewritesParams >> cleanDB - if _nParams args == 0 - then runEqSat myCost rewritesWithConstant 1 >> cleanDB >> refitChanged - else runEqSat myCost rewritesParams 1 >> cleanDB >> refitChanged - canonical offspring >>= updateIfNothing fitFun - canonical offspring - --pure offspring + evolve xs' = do + xs <- Prelude.mapM canonical xs' + parents <- tournament xs + offspring <- combine parents + pure offspring + + evolveDB xs' = do + xs <- Prelude.mapM canonical xs' + parents <- tournament xs + offspring <- combineDB parents + pure offspring tournament xs = do p1 <- applyTournament xs >>= canonical p2 <- applyTournament xs >>= canonical @@ -236,11 +311,13 @@ egraphGP dataTrainVals dataTests args = do applyTournament :: [EClassId] -> RndEGraph EClassId applyTournament xs = do challengers <- replicateM (_nTournament args) (rnd $ randomFrom xs) >>= traverse canonical - fits <- Prelude.map fromJust <$> Prelude.mapM getFitness challengers + fits <- Prelude.map (fromMaybe (-1.0/0.0)) <$> Prelude.mapM getFitness challengers pure . snd . maximumBy (compare `on` fst) $ Prelude.zip fits challengers combine (p1, p2) = (crossover p1 p2 >>= mutate) >>= canonical + combineDB (p1, p2) = (crossoverDB p1 p2 >>= mutateDB) >>= canonical + crossover p1 p2 = do sz <- getSize p1 coin <- rnd $ tossBiased (_pc args) if sz == 1 || not coin @@ -250,6 +327,79 @@ egraphGP dataTrainVals dataTests args = do tree <- getSubtree pos 0 Nothing [] cands p1 fromTree myCost (relabel tree) >>= canonical + crossoverDB p1 p2 = do sz <- getSize p1 + coin <- rnd $ tossBiased (_pc args) + if sz == 1 || not coin + then rnd (randomFrom [p1, p2]) + else do pos <- rnd $ randomRange (1, sz-1) + cands <- getAllSubClasses p2 + tree <- getSubtree pos 0 Nothing [] cands p1 + eid <- fromTree myCost (relabel tree) >>= canonical + en <- getBestENode eid >>= canonize + let key = T.pack (enodeKey en) + inDB <- io $ expressionInDB (_dbFitFile args) key + if inDB + then rnd (randomFrom [p1, p2]) + else pure eid + + -- | Like crossover but returns Fix SRTree instead of inserting into the e-graph. + -- All operations are read-only on the e-graph snapshot. + crossoverTree p1 p2 = do sz <- getSize p1 + coin <- rnd $ tossBiased (_pc args) + if sz == 1 || not coin + then do p <- rnd (randomFrom [p1, p2]) + getBestExpr p + else do pos <- rnd $ randomRange (1, sz-1) + cands <- getAllSubClasses p2 + getSubtree pos 0 Nothing [] cands p1 + + -- | Like mutate but works on Fix SRTree directly without writing to the e-graph. + mutateTree tree = do + let sz = countNodes tree + coin <- rnd $ tossBiased (_pm args) + if coin + then do pos <- rnd $ randomRange (0, min sz maxSize - 1) + mutAtTree pos maxSize tree + else pure tree + + -- | Walk a Fix SRTree to a position and replace the subtree with a random expression. + -- Unlike mutAt, this works on Fix SRTree directly and never touches the e-graph. + mutAtTree :: Int -> Int -> Fix SRTree -> RndEGraph (Fix SRTree) + mutAtTree 0 sizeLeft _ = do + t <- insertRndExpr (max 1 sizeLeft) rndTerm rndNonTerm >>= canonical >>= getBestExpr + pure t + mutAtTree _ 1 _ = rnd $ randomFrom terms + mutAtTree pos sizeLeft (Fix (Uni f t)) = + (Fix . Uni f) <$> mutAtTree (pos-1) (sizeLeft-1) t + mutAtTree pos sizeLeft (Fix (Bin op l r)) = do + let szL = countNodes l + if szL < pos + then do r' <- mutAtTree (pos-szL-1) (sizeLeft-szL-1) r + pure . Fix $ Bin op l r' + else do l' <- mutAtTree (pos-1) (sizeLeft-1) l + pure . Fix $ Bin op l' r + mutAtTree _ _ tree = pure tree -- Var, Const, Param, Y: nothing to mutate + + -- | Run offspring tree generation in parallel using mapConcurrently. + -- Each worker gets a read-only snapshot of the e-graph, so tree extraction + -- (tournament, crossover, mutation) is safe. No e-graph writes happen here. + generateTrees :: [EClassId] -> RndEGraph [Fix SRTree] + generateTrees xs = do + nCaps <- io getNumCapabilities + g0 <- rnd get + let nJobs = _nPop args + gs = [ mkStdGen (fromIntegral i * 7919 + 42) | i <- [0 .. nJobs - 1] ] + eg <- get + io $ mapConcurrently (\g -> runRndEGraph eg g $ do + xs' <- Prelude.mapM canonical xs + parents <- tournament xs' + coin <- rnd toss + if coin + then crossoverTree (fst parents) (snd parents) >>= mutateTree + else do p <- rnd (randomFrom [fst parents, snd parents]) + getBestExpr p + ) (Prelude.take nJobs gs) + getSubtree :: Int -> Int -> Maybe (EClassId -> ENode) -> [Maybe (EClassId -> ENode)] -> [EClassId] -> EClassId -> RndEGraph (Fix SRTree) getSubtree 0 sz (Just parent) mGrandParents cands p' = do p <- canonical p' @@ -264,42 +414,76 @@ egraphGP dataTrainVals dataTests args = do p <- canonical p' root <- getBestENode p >>= canonize case root of - Param ix -> pure . Fix $ Param ix - Const x -> pure . Fix $ Const x - Var ix -> pure . Fix $ Var ix - Uni f t' -> do t <- canonical t' - (Fix . Uni f) <$> getSubtree (pos-1) (sz+1) (Just $ Uni f) (parent:mGrandParents) cands t - Bin op l'' r'' -> + EParam ix -> pure . Fix $ Param ix + EConst x -> pure . Fix $ Const x + EVar ix -> pure . Fix $ Var ix + EUni f t' -> do t <- canonical t' + (Fix . Uni f) <$> getSubtree (pos-1) (sz+1) (Just (\eid -> EUni f eid)) (parent:mGrandParents) cands t + EBin op l'' r'' -> do l <- canonical l'' r <- canonical r'' szLft <- getSize l szRgt <- getSize r if szLft < pos then do l' <- getBestExpr l - r' <- getSubtree (pos-szLft-1) (sz+szLft+1) (Just $ Bin op l) (parent:mGrandParents) cands r + r' <- getSubtree (pos-szLft-1) (sz+szLft+1) (Just (\eid -> EBin op l eid)) (parent:mGrandParents) cands r pure . Fix $ Bin op l' r' - else do l' <- getSubtree (pos-1) (sz+szRgt+1) (Just (\t -> Bin op t r)) (parent:mGrandParents) cands l + else do l' <- getSubtree (pos-1) (sz+szRgt+1) (Just (\eid -> EBin op eid r)) (parent:mGrandParents) cands l r' <- getBestExpr r pure . Fix $ Bin op l' r' + ENAry op m -> do + let xs = expandedList m + cs <- mapM canonical xs + szs <- mapM getSize cs + let totalSz = sum szs + goE [] [] _ _ = pure [] + goE (c:cs) (s:szs) acc i + | s < pos - acc = do + c' <- getBestExpr c + cs' <- goE cs szs (acc + s) (i + 1) + pure (c' : cs') + | otherwise = do + c' <- getSubtree (pos - acc - 1) (sz + 1 + (totalSz - s)) (Just (\eid -> ENAry op (imFromList (replaceAt i eid xs)))) (parent:mGrandParents) cands c + cs' <- mapM getBestExpr cs + pure (c' : cs') + exprs <- goE cs szs 0 0 + pure $ naryTree op exprs getAllSubClasses p' = do p <- canonical p' en <- getBestENode p case en of - Bin _ l r -> do ls <- getAllSubClasses l - rs <- getAllSubClasses r - pure (p : (ls <> rs)) - Uni _ t -> (p:) <$> getAllSubClasses t - _ -> pure [p] + EBin _ l r -> do ls <- getAllSubClasses l + rs <- getAllSubClasses r + pure (p : (ls <> rs)) + EUni _ t -> (p:) <$> getAllSubClasses t + ENAry _ m -> do xss <- mapM getAllSubClasses (expandedList m) + pure (p : concat xss) + _ -> pure [p] mutate p = do sz <- getSize p coin <- rnd $ tossBiased (_pm args) if coin - then do pos <- rnd $ randomRange (0, sz-1) + then do pos <- rnd $ randomRange (0, min sz maxSize - 1) tree <- mutAt pos maxSize Nothing p fromTree myCost (relabel tree) >>= canonical else pure p + mutateDB p = do sz <- getSize p + coin <- rnd $ tossBiased (_pm args) + if coin + then do pos <- rnd $ randomRange (0, min sz maxSize - 1) + tree <- mutAt pos maxSize Nothing p + eid <- fromTree myCost (relabel tree) >>= canonical + -- Check if this expression already exists in the DB + en <- getBestENode eid >>= canonize + let key = T.pack (enodeKey en) + inDB <- io $ expressionInDB (_dbFitFile args) key + if inDB + then pure p -- already explored: keep original + else pure eid + else pure p + peel :: Fix SRTree -> SRTree () peel (Fix (Bin op l r)) = Bin op () () peel (Fix (Uni f t)) = Uni f () @@ -308,20 +492,21 @@ egraphGP dataTrainVals dataTests args = do peel (Fix (Const x)) = Const x mutAt :: Int -> Int -> Maybe (EClassId -> ENode) -> EClassId -> RndEGraph (Fix SRTree) - mutAt 0 sizeLeft Nothing _ = (insertRndExpr sizeLeft rndTerm rndNonTerm >>= canonical) >>= getBestExpr -- we chose to mutate the root + mutAt 0 sizeLeft Nothing _ = (insertRndExpr (max 1 sizeLeft) rndTerm rndNonTerm >>= canonical) >>= getBestExpr -- we chose to mutate the root mutAt 0 1 _ _ = rnd $ randomFrom terms -- we don't have size left mutAt 0 sizeLeft (Just parent) _ = do -- we reached the mutation place - ec <- insertRndExpr sizeLeft rndTerm rndNonTerm >>= canonical -- create a random expression with the size limit + ec <- insertRndExpr (max 1 sizeLeft) rndTerm rndNonTerm >>= canonical -- create a random expression with the size limit (Fix tree) <- getBestExpr ec -- root <- getBestENode ec exist <- canonize (parent ec) >>= doesExist if exist -- the expression `parent ec` already exists, try to fix - then do let children = childrenOf root + then do let children = eChildren root candidates <- case length children of - 0 -> filterM (checkToken parent . (replaceChildren children)) (Prelude.map peel terms) - 1 -> filterM (checkToken parent . (replaceChildren children)) uniNonTerms - 2 -> filterM (checkToken parent . (replaceChildren children)) binNonTerms + 0 -> filterM (checkToken parent <=< (toENode . replaceChildren children)) (Prelude.map peel terms) + 1 -> filterM (checkToken parent <=< (toENode . replaceChildren children)) uniNonTerms + 2 -> filterM (checkToken parent <=< (toENode . replaceChildren children)) binNonTerms + _ -> pure [] if null candidates then pure $ Fix tree -- there's no candidate, so we failed and admit defeat else do newToken <- rnd (randomFrom candidates) @@ -333,67 +518,243 @@ egraphGP dataTrainVals dataTests args = do p <- canonical p' root <- getBestENode p >>= canonize case root of - Param ix -> pure . Fix $ Param ix - Const x -> pure . Fix $ Const x - Var ix -> pure . Fix $ Var ix - Uni f t' -> canonical t' >>= \t -> (Fix . Uni f) <$> mutAt (pos-1) (sizeLeft-1) (Just $ Uni f) t - Bin op ln rn -> do l <- canonical ln - r <- canonical rn - szLft <- getSize l - szRgt <- getSize r - if szLft < pos - then do l' <- getBestExpr l - r' <- mutAt (pos-szLft-1) (sizeLeft-szLft-1) (Just $ Bin op l) r - pure . Fix $ Bin op l' r' - else do l' <- mutAt (pos-1) (sizeLeft-szRgt-1) (Just (\t -> Bin op t r)) l - r' <- getBestExpr r - pure . Fix $ Bin op l' r' - - - printExpr :: Int -> EClassId -> RndEGraph [String] - printExpr ix ec = do - thetas' <- gets (_theta . _info . (IM.! ec) . _eClass) - bestExpr <- (if _simplify args then simplifyEqSatDefault else id) <$> getBestExpr ec + EParam ix -> pure . Fix $ Param ix + EConst x -> pure . Fix $ Const x + EVar ix -> pure . Fix $ Var ix + EUni f t' -> canonical t' >>= \t -> (Fix . Uni f) <$> mutAt (pos-1) (sizeLeft-1) (Just (\eid -> EUni f eid)) t + EBin op ln rn -> do l <- canonical ln + r <- canonical rn + szLft <- getSize l + szRgt <- getSize r + if szLft < pos + then do l' <- getBestExpr l + r' <- mutAt (pos-szLft-1) (sizeLeft-szLft-1) (Just (\eid -> EBin op l eid)) r + pure . Fix $ Bin op l' r' + else do l' <- mutAt (pos-1) (sizeLeft-szRgt-1) (Just (\eid -> EBin op eid r)) l + r' <- getBestExpr r + pure . Fix $ Bin op l' r' + ENAry op m -> do + let xs = expandedList m + cs <- mapM canonical xs + szs <- mapM getSize cs + let totalSz = sum szs + goE [] [] _ _ = pure [] + goE (c:cs) (s:szs) acc i + | s < pos - acc = do + c' <- getBestExpr c + cs' <- goE cs szs (acc + s) (i + 1) + pure (c' : cs') + | otherwise = do + c' <- mutAt (pos - acc - 1) (sizeLeft - 1 - (totalSz - s)) (Just (\eid -> ENAry op (imFromList (replaceAt i eid xs)))) c + cs' <- mapM getBestExpr cs + pure (c' : cs') + exprs <- goE cs szs 0 0 + pure $ naryTree op exprs + + + printExpr :: Bool -> Int -> Int -> EClassId -> RndEGraph [String] + printExpr withCI actualMaxP ix ec = do + thetas' <- getTheta ec + bestExpr0 <- getBestExpr ec + bestExpr <- if _simplify args + then do + res <- io $ timeout (10 * 1000000) (evaluate (forceSimp bestExpr0)) + case res of + Nothing -> pure bestExpr0 + Just s -> pure s + else pure bestExpr0 let best' = if shouldReparam then relabelParams bestExpr else relabelParamsOrder bestExpr nParams = countParamsUniq best' - fromSz (MA.Sz x) = x - nThetas = Prelude.map (fromSz . MA.size) thetas' + nThetas = Prelude.map V.length thetas' (_, thetas) <- if Prelude.any (/=nParams) nThetas then fitFun best' else pure (1.0, thetas') - maxLoss <- negate . fromJust <$> getFitness ec + maxLoss <- maybe 0 negate <$> getFitness ec ts <- forM (Data.List.zip4 [0..] dataTrainVals dataTests thetas) $ \(view, (dataTrain, dataVal), dataTest, theta) -> do let (x, y, mYErr) = dataTrain (x_val, y_val, mYErr_val) = dataVal (x_te, y_te, mYErr_te) = dataTest distribution = _distribution args - expr = paramsToConst (MA.toList theta) best' - showNA z = if isNaN z then "" else show z - r2_train = r2 x y best' theta - r2_val = r2 x_val y_val best' theta - r2_te = r2 x_te y_te best' theta - nll_train = nll distribution mYErr x y best' theta - nll_val = nll distribution mYErr_val x_val y_val best' theta - nll_te = nll distribution mYErr_te x_te y_te best' theta - mdl_train = fractionalBayesFactor distribution mYErr x y theta best' - mdl_val = fractionalBayesFactor distribution mYErr_val x_val y_val theta best' - mdl_te = fractionalBayesFactor distribution mYErr_te x_te y_te theta best' + expr = paramsToConst (V.toList theta) best' + showNA z = if isNaN z || isInfinite z then "NA" else show z + + n = fromIntegral (V.length y) :: Double + n_val = fromIntegral (V.length y_val) :: Double + n_te = fromIntegral (V.length y_te) :: Double + p = fromIntegral (countParamsUniq best') :: Double + f_compl = countNodes best' * log (countUniqueTokens best') + + -- loss (NLL) + nll_train_ = compileLoss x (buildLoss distribution n best') y mYErr theta + nll_val_ = compileLoss x_val (buildLoss distribution n_val best') y_val mYErr_val theta + nll_te_ = compileLoss x_te (buildLoss distribution n_te best') y_te mYErr_te theta + + -- R2 + y_mean = V.sum y / n + y_var = V.sum (V.map (\yi -> (yi - y_mean)^2) y) / n + y_val_mean = V.sum y_val / n_val + y_val_var = V.sum (V.map (\yi -> (yi - y_val_mean)^2) y_val) / n_val + y_te_mean = V.sum y_te / n_te + y_te_var = V.sum (V.map (\yi -> (yi - y_te_mean)^2) y_te) / n_te + + mse_train = compileLoss x (buildLoss MSE n best') y Nothing theta + r2_train_ = if y_var > 0 then 1 - mse_train / y_var else 0 + r2_val_ = if y_val_var > 0 then 1 - (compileLoss x_val (buildLoss MSE n_val best') y_val Nothing theta) / y_val_var else 0 + r2_te_ = if y_te_var > 0 then 1 - (compileLoss x_te (buildLoss MSE n_te best') y_te Nothing theta) / y_te_var else 0 + + -- fractional Bayes factor + b_train = 1 / sqrt n + nup = exp (1 - log 3) + mdl_train_ = (1 - b_train) * nll_train_ - p / 2 * log b_train + f_compl + p / 2 * log (2*pi*nup) + b_val = 1 / sqrt n_val + mdl_val_ = (1 - b_val) * nll_val_ - p / 2 * log b_val + f_compl + p / 2 * log (2*pi*nup) + b_te = 1 / sqrt n_te + mdl_te_ = (1 - b_te) * nll_te_ - p / 2 * log b_te + f_compl + p / 2 * log (2*pi*nup) + vals = intercalate "," - $ Prelude.map showNA [ nll_train, nll_val, nll_te, maxLoss - , r2_train, r2_val, r2_te - , mdl_train, mdl_val, mdl_te] - thetaStr = intercalate ";" $ Prelude.map show (MA.toList theta) + $ Prelude.map showNA [ nll_train_, nll_val_, nll_te_, maxLoss + , r2_train_, r2_val_, r2_te_ + , mdl_train_, mdl_val_, mdl_te_] + thetaStr = intercalate ";" $ Prelude.map show (V.toList theta) varnames = _varnames args showExprFun = if null varnames then showExpr else showExprWithVars (splitOn "," varnames) showLatexFun = if null varnames then showLatex else showLatexWithVars (splitOn "," varnames) - pure $ show ix <> "," <> show view <> "," <> showExprFun expr <> "," <> "\"" <> showPython best' <> "\"," + + -- Compute profile-likelihood CIs + -- Bates (1985) profile likelihood works for MSE/least-squares: + -- 2*(MSE(theta) - MSE(theta_hat)) <= chi2_1 + -- For NLL losses, the same formula applies with the NLL. + nSamples = V.length y + dist = case distribution of { NLL d -> d; MSE -> LeastSquares; LOG10 -> LeastSquares; MAE -> LeastSquares; MAPE -> LeastSquares; Pinball _ -> LeastSquares; _ -> Gaussian } + et = compileTree dist x y mYErr best' + stats = getStatsFromModel dist mYErr x y best' theta + row = show ix <> "," <> show view <> "," <> showExprFun expr <> "," <> "\"" <> showPython best' <> "\"," <> "\"$$" <> showLatexFun best' <> "$$\"," <> thetaStr <> "," <> show (countNodes $ convertProtectedOps expr) <> "," <> vals + if withCI + then do + -- profile-likelihood CIs (expensive: an NLopt walk per parameter); + -- only computed for the final Pareto front, not per-generation trace. + profiles <- liftIO $ getAllProfiles Bates et theta (_stdErr stats) [] 0.05 + let ciVals = paramCI (Profile stats profiles) nSamples theta 0.05 + maxPExpr = actualMaxP + ciStr = intercalate "," + $ Prelude.map (\(CI _ l h) -> showNA l <> "," <> showNA h) ciVals + ++ Prelude.replicate (2 * (maxPExpr - length ciVals)) "" + pure $ row <> "," <> ciStr + else pure row pure ts insertTerms = forM terms $ \t -> do fromTree myCost t >>= canonical + + replaceAt :: Int -> EClassId -> [EClassId] -> [EClassId] + replaceAt 0 e (_:cs) = e : cs + replaceAt i e (c:cs) = c : replaceAt (i-1) e cs + replaceAt _ _ [] = [] + + -- | Walk the Pareto front to find the actual max number of params + -- (model params + distribution-specific params) across all sizes. + computeMaxP :: Int -> Loss -> Int -> RndEGraph Int + computeMaxP maxSize' dist nFeats' = go 1 0 + where + distExtra = case dist of + NLL Gaussian -> 1 + NLL ROXY -> 3 + _ -> 0 + go n acc + | n > maxSize' = pure acc + | otherwise = do + ecList <- getBestExprWithSize n + case ecList of + ((ec, _):_) -> do + ec' <- canonical ec + bestExpr <- getBestExpr ec' + let best' = if shouldReparam then relabelParams bestExpr else relabelParamsOrder bestExpr + nP = countParamsUniq best' + distExtra + go (n+1) (max acc nP) + _ -> go (n+1) acc + +-- --------------------------------------------------------------------------- +-- DB helpers (used when _dbFile is non-empty) +-- --------------------------------------------------------------------------- + +-- | Derive the dataset name for the DB: use _dbDataset if set, else the CSV basename. +dbDatasetName :: Args -> String +dbDatasetName args + | not (null (_dbDataset args)) = _dbDataset args + | otherwise = takeFileName (_dataset args) + +-- | Open a SQLite DB, run an action, close. SQLite-only (no Postgres). +withSqliteDB :: String -> (forall b. SqlBackend b => b -> IO a) -> IO a +withSqliteDB path k = bracket (SQLite.open (T.pack path)) SQLite.close k + +-- | Load fitness cache from DB: eclass id -> (fitness, theta_text). +-- When the e-graph structure is loaded via --load-from, e-class IDs are +-- preserved so this cache is directly usable. For cross-run keyed reuse +-- (different e-class IDs), expression_index would be needed — left as TODO. +loadFitnessCache :: String -> String -> IO (HashMap Int (Double, V.Vector Double)) +loadFitnessCache "" _ = pure HashMap.empty +loadFitnessCache dbFile dataset = withSqliteDB dbFile $ \db -> do + mdsid <- getOrCreateDataset db dataset + fits <- readDatasetFit db mdsid + pure $ HashMap.fromList + [ (eid, (f, parseThetaVec th)) + | (eid, (Just f, _, _, th)) <- fits + , not (T.null th) ] + where + parseThetaVec th = case parseTheta (T.unpack th) of + [] -> V.empty + (v:_) -> v + +-- | Check if an expression's enode key exists in expression_index table. +expressionInDB :: String -> T.Text -> IO Bool +expressionInDB "" _ = pure False +expressionInDB dbFile key + | T.null key = pure False + | otherwise = withSqliteDB dbFile $ \db -> do + meid <- expressionEclass db key + pure (meid /= Nothing) + +-- | Store fitness in DB after evaluation. +storeFitnessDB :: String -> String -> EClassId -> Double -> V.Vector Double -> IO () +storeFitnessDB "" _ _ _ _ = pure () +storeFitnessDB dbFile dataset eid fit theta + = withSqliteDB dbFile $ \db -> do + dsid <- getOrCreateDataset db dataset + writeDatasetFit db dsid eid (Just fit) Nothing (T.pack (serializeTheta [theta])) 0 + +-- | Sync in-memory e-graph to DB (full save for resident graphs). +syncEGraphDB :: String -> String -> EGraph -> IO () +syncEGraphDB "" _ _ = pure () +syncEGraphDB dbFile dataset eg + = withSqliteDB dbFile $ \db -> do + dsid <- getOrCreateDataset db dataset + _ <- saveGraph db dsid eg + pure () + +-- | Like fitBatch, but checks the fitness cache first. +-- For each e-class whose ID is in the cache, insertFitness is called directly +-- (skipping the expensive NLopt optimization). Uncached e-classes go through +-- the normal fitFun path via the original fitBatch. +fitBatchCached :: HashMap.HashMap Int (Double, V.Vector Double) + -> Bool + -> (Fix SRTree -> RndEGraph (Double, [Target])) + -> [EClassId] + -> RndEGraph () +fitBatchCached cache force fitFun ecs0 = do + ecs <- Prelude.mapM canonical ecs0 + -- Phase 1: fill fitness from cache for e-classes that have a cache hit + forM_ ecs $ \ec -> do + mf <- getFitness ec + when (force || mf == Nothing) $ + case HashMap.lookup ec cache of + Just (fit, thetas) -> insertFitness ec fit [thetas] + Nothing -> pure () + -- Phase 2: run the original fitBatch — it will skip e-classes that now + -- have fitness (from the cache or from a previous run). + fitBatch force fitFun ecs0 diff --git a/src/eggp.egg-info/PKG-INFO b/src/eggp.egg-info/PKG-INFO index 32646f8..afc1b9f 100644 --- a/src/eggp.egg-info/PKG-INFO +++ b/src/eggp.egg-info/PKG-INFO @@ -1,6 +1,6 @@ Metadata-Version: 2.4 Name: eggp -Version: 1.0.14 +Version: 2.2.1 Summary: Python Wheels for eggp algorithm. Author-email: Fabricio Olivetti License: GNU GENERAL PUBLIC LICENSE @@ -686,6 +686,7 @@ Classifier: Programming Language :: Python :: 3.10 Classifier: Programming Language :: Python :: 3.11 Classifier: Programming Language :: Python :: 3.12 Classifier: Programming Language :: Python :: 3.13 +Classifier: Programming Language :: Python :: 3.14 Classifier: Programming Language :: Python :: Implementation :: CPython Requires-Python: >=3.9 Description-Content-Type: text/markdown @@ -792,7 +793,7 @@ To install eggp you'll need: - `libz` - `libnlopt` - `libgmp` -- `ghc-9.6.6` +- `ghc-9.14.1` - `cabal` or `stack` ### Method 1: PIP diff --git a/src/eggp.egg-info/SOURCES.txt b/src/eggp.egg-info/SOURCES.txt index 1773578..40b2de2 100644 --- a/src/eggp.egg-info/SOURCES.txt +++ b/src/eggp.egg-info/SOURCES.txt @@ -14,4 +14,6 @@ src/eggp.egg-info/dependency_links.txt src/eggp.egg-info/entry_points.txt src/eggp.egg-info/requires.txt src/eggp.egg-info/top_level.txt -test/test_pyeggp.py \ No newline at end of file +test/test_db_mode.py +test/test_pyeggp.py +test/test_regression_integration.py \ No newline at end of file diff --git a/src/eggp/__init__.py b/src/eggp/__init__.py index dc29d9a..aa21905 100644 --- a/src/eggp/__init__.py +++ b/src/eggp/__init__.py @@ -4,9 +4,9 @@ from typing import Iterator, List import string from io import StringIO -import tempfile -import csv import os +import multiprocessing +import ctypes import numpy as np import pandas as pd @@ -15,6 +15,13 @@ from sklearn.metrics import mean_squared_error, r2_score import matplotlib.pyplot as plt +# GHC auto-initializes the RTS when the shared library is loaded (during the +# _binding import below). At that point it reads the GHCRTS env var for flags; +# if unset, defaults to -N1. Set it here so the RTS starts with the right +# number of capabilities. +if os.environ.get("GHCRTS") is None: + os.environ["GHCRTS"] = "-N4" + from ._binding import ( unsafe_hs_eggp_version, unsafe_hs_eggp_main, @@ -23,13 +30,32 @@ unsafe_hs_eggp_exit, ) -VERSION: str = "1.0.17" +_hs_eggp_run_data = None + +def _get_hs_eggp_run_data(): + global _hs_eggp_run_data + if _hs_eggp_run_data is None: + lib = ctypes.CDLL(_binding.__file__) + lib.hs_eggp_run_data.argtypes = [ + ctypes.POINTER(ctypes.c_double), ctypes.POINTER(ctypes.c_int), + ctypes.c_int, ctypes.c_int, ctypes.c_char_p, ctypes.c_char_p, + ctypes.c_int, ctypes.c_int, ctypes.c_int, ctypes.c_int, + ctypes.c_double, ctypes.c_double, ctypes.c_char_p, ctypes.c_char_p, + ctypes.c_int, ctypes.c_int, ctypes.c_int, ctypes.c_int, + ctypes.c_int, ctypes.c_int, ctypes.c_int, ctypes.c_int, + ctypes.c_char_p, ctypes.c_char_p, ctypes.c_char_p, ctypes.c_int, + ctypes.c_char_p, ctypes.c_char_p, ctypes.c_char_p, ctypes.c_int, ctypes.c_int, + ] + lib.hs_eggp_run_data.restype = ctypes.c_char_p + _hs_eggp_run_data = lib.hs_eggp_run_data + return _hs_eggp_run_data + +VERSION: str = "2.2.1" _hs_rts_init: bool = False _hs_rts_lock: Lock = Lock() - def hs_rts_exit() -> None: global _hs_rts_lock with _hs_rts_lock: @@ -37,7 +63,7 @@ def hs_rts_exit() -> None: @contextmanager -def hs_rts_init(args: List[str] = []) -> Iterator[None]: +def hs_rts_init(args: List[str] = ["eggp", "+RTS", "-N4", "-RTS"]) -> Iterator[None]: global _hs_rts_init global _hs_rts_lock with _hs_rts_lock: @@ -54,12 +80,41 @@ def version() -> str: def main(args: List[str] = []) -> int: - with hs_rts_init(args): + # args often come from sys.argv which includes the program name at [0]. + # Strip it and prepend RTS flags so hs_init sees +RTS -N{numCores} -RTS. + cli_args = args[1:] if args and not args[0].startswith('-') else args + rts_flags = ["+RTS", "-N4", "-RTS"] + rts_args = ["eggp"] + rts_flags + with hs_rts_init(rts_args + cli_args): return unsafe_hs_eggp_main() -def eggp_run(dataset: str, gen: int, nPop: int, maxSize: int, nTournament: int, pc: float, pm: float, nonterminals: str, loss: str, optIter: int, optRepeat: int, nParams: int, split: int, max_time : int, simplify: int, trace : int, generational : int, dumpTo: str, loadFrom: str, varnames : str, useFracBayes: int) -> str: +def eggp_run(dataset: str, gen: int, nPop: int, maxSize: int, nTournament: int, pc: float, pm: float, nonterminals: str, loss: str, optIter: int, optRepeat: int, nParams: int, split: int, max_time : int, simplify: int, trace : int, generational : int, dumpTo: str, loadFrom: str, varnames : str, useFracBayes: int, dbFile: str = "", dbFitFile: str = "", dbDataset: str = "", dbCacheSize: int = 100000, dbFlushEvery: int = 0) -> str: + with hs_rts_init(): + return unsafe_hs_eggp_run(dataset, gen, nPop, maxSize, nTournament, pc, pm, nonterminals, loss, optIter, optRepeat, nParams, split, max_time, simplify, trace, generational, dumpTo, loadFrom, varnames, useFracBayes, dbFile, dbFitFile, dbDataset, dbCacheSize, dbFlushEvery) + +def eggp_run_data(data: np.ndarray, nrows: List[int], header: str, params: str, gen: int, nPop: int, maxSize: int, nTournament: int, pc: float, pm: float, nonterminals: str, loss: str, optIter: int, optRepeat: int, nParams: int, split: int, max_time : int, simplify: int, trace : int, generational : int, dumpTo: str, loadFrom: str, varnames : str, useFracBayes: int, dbFile: str = "", dbFitFile: str = "", dbDataset: str = "", dbCacheSize: int = 100000, dbFlushEvery: int = 0) -> str: + ''' Runs eggp with the dataset passed directly as a contiguous double + array, bypassing the temp-CSV round trip. + + Parameters + ---------- + data : np.ndarray + A C-contiguous float64 matrix (row-major) with all views concatenated + vertically. + nrows : list of int + Per-view row counts; its length is the number of datasets (views). + header : str + Comma-separated column names, in column order. + params : str + The same `:::target:features:y_err` suffix used by the file-based path + (e.g. ``get_fname("", header)``). + ''' + data = np.ascontiguousarray(data, dtype=np.float64) + cdata = data.ctypes.data_as(ctypes.POINTER(ctypes.c_double)) + cnrows = (ctypes.c_int * len(nrows))(*nrows) with hs_rts_init(): - return unsafe_hs_eggp_run(dataset, gen, nPop, maxSize, nTournament, pc, pm, nonterminals, loss, optIter, optRepeat, nParams, split, max_time, simplify, trace, generational, dumpTo, loadFrom, varnames, useFracBayes) + out = _get_hs_eggp_run_data()(cdata, cnrows, len(nrows), data.shape[1], header.encode(), params.encode(), gen, nPop, maxSize, nTournament, pc, pm, nonterminals.encode(), loss.encode(), optIter, optRepeat, nParams, split, max_time, simplify, trace, generational, dumpTo.encode(), loadFrom.encode(), varnames.encode(), useFracBayes, dbFile.encode(), dbFitFile.encode(), dbDataset.encode(), dbCacheSize, dbFlushEvery) + return out.decode("utf-8") if out is not None else "" def make_function(expression, loss="MSE"): def func(x, t): @@ -112,14 +167,22 @@ class EGGP(BaseEstimator, RegressorMixin): `recip` is the reciprocal (1/x) `cbrt` is the cubic root - loss : {"MSE", "Gaussian", "Bernoulli", "Poisson"}, default="MSE" + loss : {"MSE", "LOG10", "Gaussian", "Bernoulli", "Poisson", "MAE", "MAPE", "Pinball"}, default="MSE" Loss function used to evaluate the expressions: - MSE (mean squared error) should be used for regression problems. + - LOG10 (mean squared error in log10 space) for regression on log-spaced targets. + - MAE (mean absolute error) for regression robust to outliers. + - MAPE (mean absolute percentage error) for relative-error regression. + - Pinball for quantile regression (the quantile is given by `pinball_tau`). - Gaussian likelihood should be used for regression problem when you want to fit the error term. - Bernoulli likelihood should be used for classification problem. - Poisson likelihood should be used when the data distribution follows a Poisson. + pinball_tau : float, default=0.5 + Quantile to minimize when `loss` is "Pinball". Must be a value + between 0 and 1. + optIter : int, default=50 Number of iterations for the parameter optimization. @@ -170,12 +233,12 @@ class EGGP(BaseEstimator, RegressorMixin): >>> estimator = EGGP(loss="Bernoulli") >>> estimator.fit(X, y) """ - def __init__(self, gen = 100, nPop = 100, maxSize = 15, nTournament = 3, pc = 0.9, pm = 0.3, nonterminals = "add,sub,mul,div", loss = "MSE", optIter = 50, optRepeat = 2, nParams = -1, folds = 1, max_time = -1, simplify = False, trace = False, generational = False, dumpTo = "", loadFrom = "", useFracBayes = False): + def __init__(self, gen = 100, nPop = 100, maxSize = 15, nTournament = 3, pc = 0.9, pm = 0.3, nonterminals = "add,sub,mul,div", loss = "MSE", optIter = 50, optRepeat = 2, nParams = -1, folds = 1, max_time = -1, simplify = False, trace = False, generational = False, dumpTo = "", loadFrom = "", useFracBayes = False, pinball_tau = 0.5, dbFile = "", dbFitFile = "", dbDataset = "", dbCacheSize = 100000, dbFlushEvery = 0): nts = "add,sub,mul,div,power,powerabs,\ aq,abs,sin,cos,tan,sinh,cosh,tanh,\ asin,acos,atan,asinh,acosh,atanh,sqrt,\ sqrtabs,cbrt,square,log,logabs,exp,recip,cube" - losses = ["MSE", "LOG10", "Gaussian", "Bernoulli", "Poisson"] + losses = ["MSE", "LOG10", "Gaussian", "Bernoulli", "Poisson", "MAE", "MAPE", "Pinball"] if gen < 1: raise ValueError('gen should be greater than 1') if nPop < 1: @@ -210,6 +273,8 @@ def __init__(self, gen = 100, nPop = 100, maxSize = 15, nTournament = 3, pc = 0. raise TypeError('max_time must be an integer') if not isinstance(useFracBayes, bool): raise TypeError('useFracBayes must be a boolean') + if pinball_tau <= 0 or pinball_tau >= 1: + raise ValueError('pinball_tau must be a value between 0 and 1') self.gen = gen self.nPop = nPop self.maxSize = maxSize @@ -230,6 +295,18 @@ def __init__(self, gen = 100, nPop = 100, maxSize = 15, nTournament = 3, pc = 0. self.loadFrom = loadFrom self.is_fitted_ = False self.useFracBayes = int(useFracBayes) + self.pinball_tau = pinball_tau + self.dbFile = dbFile + self.dbFitFile = dbFitFile + self.dbDataset = dbDataset + self.dbCacheSize = dbCacheSize + self.dbFlushEvery = dbFlushEvery + + @property + def loss_arg(self): + if self.loss == "Pinball": + return f"Pinball {self.pinball_tau}" + return self.loss def combine_dataset(self, X, y, Xerr, yerr): ''' Combines the error information into a single dataset. @@ -311,18 +388,9 @@ def fit(self, X, y, Xerr = None, yerr = None): else: varnames = "" - with tempfile.NamedTemporaryFile(mode='w+', newline='', delete=False, prefix='datatemp_', suffix='.csv', dir=os.getcwd()) as temp_file: - writer = csv.writer(temp_file) - writer.writerow(header) - writer.writerows(combined) - dataset = temp_file.name - dname = self.get_fname(dataset, header) - - try: - csv_data = eggp_run(dname, self.gen, self.nPop, self.maxSize, self.nTournament, self.pc, self.pm, self.nonterminals, self.loss, self.optIter, self.optRepeat, self.nParams, self.folds, self.max_time, self.simplify, self.trace, self.generational, self.dumpTo, self.loadFrom, varnames, self.useFracBayes) + dname = self.get_fname("", header) - finally: - os.remove(dataset) + csv_data = eggp_run_data(combined, [combined.shape[0]], ",".join(header), dname, self.gen, self.nPop, self.maxSize, self.nTournament, self.pc, self.pm, self.nonterminals, self.loss_arg, self.optIter, self.optRepeat, self.nParams, self.folds, self.max_time, self.simplify, self.trace, self.generational, self.dumpTo, self.loadFrom, varnames, self.useFracBayes, self.dbFile, self.dbFitFile, self.dbDataset, self.dbCacheSize, self.dbFlushEvery) if len(csv_data) > 0: csv_io = StringIO(csv_data.strip()) @@ -347,27 +415,17 @@ def fit_mvsr(self, Xs, ys, Xerrs = None, yerrs = None): combineds = [self.combine_dataset(X, y, Xerr, yerr) for X, y, Xerr, yerr in zip(Xs, ys, Xerrs, yerrs)] header = self.get_header(Xs[0].shape[1]) - datasets = [] - datasetsNames = [] if isinstance(Xs[0], pd.DataFrame): varnames = ",".join(Xs[0].columns) else: varnames = "" - for combined in combineds: - with tempfile.NamedTemporaryFile(mode='w+', newline='', delete=False, prefix='datatemp_', suffix='.csv', dir=os.getcwd()) as temp_file: - writer = csv.writer(temp_file) - writer.writerow(header) - writer.writerows(combined) - datasetsNames.append(temp_file.name) - datasets.append(self.get_fname(temp_file.name, header)) - - try: - csv_data = eggp_run(" ".join(datasets), self.gen, self.nPop, self.maxSize, self.nTournament, self.pc, self.pm, - self.nonterminals, self.loss, self.optIter, self.optRepeat, self.nParams, self.folds, self.max_time, self.simplify, self.trace, self.generational, self.dumpTo, self.loadFrom, varnames, self.useFracBayes) - finally: - for dataset in datasetsNames: - os.remove(dataset) + data = np.vstack(combineds) + nrows = [combined.shape[0] for combined in combineds] + dname = self.get_fname("", header) + + csv_data = eggp_run_data(data, nrows, ",".join(header), dname, self.gen, self.nPop, self.maxSize, self.nTournament, self.pc, self.pm, + self.nonterminals, self.loss_arg, self.optIter, self.optRepeat, self.nParams, self.folds, self.max_time, self.simplify, self.trace, self.generational, self.dumpTo, self.loadFrom, varnames, self.useFracBayes, self.dbFile, self.dbFitFile, self.dbDataset, self.dbCacheSize, self.dbFlushEvery) if len(csv_data) > 0: csv_io = StringIO(csv_data.strip()) @@ -428,14 +486,20 @@ def evaluate_best_model(self, x): if x.ndim == 1: x = x.reshape(-1,1) - tStr = self.results.iloc[-1].theta.split(";") + best = self._best_row() + tStr = best.theta.split(";") t = np.array(list(map(float, tStr))) if len(tStr[0]) > 0 else np.array([]) - y = eval(self.results.iloc[-1].Numpy) + y = eval(best.Numpy) if self.loss == "Bernoulli": return 1/(1 + np.exp(-y)) elif self.loss == "Poisson": return np.exp(y) return y + def _best_row(self): + """Select the best model (lowest training loss).""" + lt = pd.to_numeric(self.results["loss_train"], errors="coerce") + return self.results.loc[lt.idxmin()] + def evaluate_best_model_view(self, x, view): if view not in np.unique(self.results.view.values): raise ValueError("Invalid view index") @@ -443,8 +507,8 @@ def evaluate_best_model_view(self, x, view): x = x.to_numpy() if x.ndim == 1: x = x.reshape(-1,1) - ix = self.results.iloc[-1].id - best = self.results[self.results.id==ix].iloc[view] + ix = self._best_row().id + best = self.results[(self.results.id==ix) & (self.results.view==view)].iloc[0] t = np.array(list(map(float, best.theta.split(";")))) if len(best.theta) > 0 else np.array([]) y = eval(best.Numpy) if self.loss == "Bernoulli": diff --git a/src/eggp/__pycache__/__init__.cpython-310.pyc b/src/eggp/__pycache__/__init__.cpython-310.pyc new file mode 100644 index 0000000..7a3125b Binary files /dev/null and b/src/eggp/__pycache__/__init__.cpython-310.pyc differ diff --git a/src/eggp/__pycache__/__init__.cpython-313.pyc b/src/eggp/__pycache__/__init__.cpython-313.pyc new file mode 100644 index 0000000..79fc2ec Binary files /dev/null and b/src/eggp/__pycache__/__init__.cpython-313.pyc differ diff --git a/src/eggp/binding.i b/src/eggp/binding.i index cb22ad2..e085921 100644 --- a/src/eggp/binding.i +++ b/src/eggp/binding.i @@ -10,8 +10,8 @@ int unsafe_hs_eggp_main() { return hs_eggp_main(); } -char * unsafe_hs_eggp_run( char *dataset, int gens, int nPop, int maxSize, int nTournament, double pc, double pm, char *nonterminals, char *loss, int optIter, int optRepeat, int nParams, int split, int max_time, int simplify, int trace, int generational, char *dumpTo, char *loadFrom, char *varnames, int useFracBayes ) { - return hs_eggp_run(dataset, gens, nPop, maxSize, nTournament, pc, pm, nonterminals, loss, optIter, optRepeat, nParams, split, max_time, simplify, trace, generational, dumpTo, loadFrom, varnames, useFracBayes); +char * unsafe_hs_eggp_run( char *dataset, int gens, int nPop, int maxSize, int nTournament, double pc, double pm, char *nonterminals, char *loss, int optIter, int optRepeat, int nParams, int split, int max_time, int simplify, int trace, int generational, char *dumpTo, char *loadFrom, char *varnames, int useFracBayes, char *dbFile, char *dbFitFile, char *dbDataset, int dbCacheSize, int dbFlushEvery ) { + return hs_eggp_run(dataset, gens, nPop, maxSize, nTournament, pc, pm, nonterminals, loss, optIter, optRepeat, nParams, split, max_time, simplify, trace, generational, dumpTo, loadFrom, varnames, useFracBayes, dbFile, dbFitFile, dbDataset, dbCacheSize, dbFlushEvery); } void unsafe_hs_eggp_init(int argc, char **argv) { @@ -59,6 +59,6 @@ void unsafe_py_write_stderr( char * str) { char * unsafe_hs_eggp_version(); int unsafe_hs_eggp_main(); -char * unsafe_hs_eggp_run( char *dataset, int gens, int nPop, int maxSize, int nTournament, double p, double pm, char *nonterminals, char *loss, int optIter, int optRepeat, int nParams, int split, int max_time, int simplify, int trace, int generational, char *dumpTo, char *loadFrom, char *varnames, int useFracBayes); +char * unsafe_hs_eggp_run( char *dataset, int gens, int nPop, int maxSize, int nTournament, double p, double pm, char *nonterminals, char *loss, int optIter, int optRepeat, int nParams, int split, int max_time, int simplify, int trace, int generational, char *dumpTo, char *loadFrom, char *varnames, int useFracBayes, char *dbFile, char *dbFitFile, char *dbDataset, int dbCacheSize, int dbFlushEvery); void unsafe_hs_eggp_init(int argc, char **argv); void unsafe_hs_eggp_exit(); diff --git a/src/eggp/typing.py b/src/eggp/typing.py index 2fa05d6..a389882 100644 --- a/src/eggp/typing.py +++ b/src/eggp/typing.py @@ -11,4 +11,4 @@ class Session(Protocol): def version(self) -> str: ... def main(self, args: List[str] = []) -> int: ... - def eggp_run(self, dataset: str, gen: int, nPop: int, maxSize: int, nTournament: int, pc: float, pm: float, nonterminals: str, loss: str, optIter: int, optRepeat: int, nParams: int, split: int, max_time: int, simplify: int, trace : int, generational : int, dumpTo: str, loadFrom: str, varnames: str, useFracBayes: int) -> str: ... + def eggp_run(self, dataset: str, gen: int, nPop: int, maxSize: int, nTournament: int, pc: float, pm: float, nonterminals: str, loss: str, optIter: int, optRepeat: int, nParams: int, split: int, max_time: int, simplify: int, trace : int, generational : int, dumpTo: str, loadFrom: str, varnames: str, useFracBayes: int, dbFile: str = "", dbFitFile: str = "", dbDataset: str = "", dbCacheSize: int = 100000, dbFlushEvery: int = 0) -> str: ... diff --git a/test/test_pyeggp.py b/test/test_pyeggp.py index d190927..00ea747 100644 --- a/test/test_pyeggp.py +++ b/test/test_pyeggp.py @@ -1,11 +1,11 @@ from eggp import eggp_run, EGGP import pandas as pd -output = eggp_run("test/data.csv", 100, 100, 10, 3, 0.9, 0.3, "add,sub,mul,div,log", "MSE", 50, 2, -1, 3, 0, 0, 0, "", "") +output = eggp_run("test/data.csv", 100, 100, 10, 3, 0.9, 0.3, "add,sub,mul,div,log", "Gaussian", 50, 2, -1, 3, 0, 0, 0, 0, "", "", "", 0) print(output) -output = eggp_run("test/data.csv test/data2.csv", 100, 100, 10, 3, 0.9, 0.3, "add,sub,mul,div,log", "MSE", 50, 2, -1, 3, 0, 0, 0, "", "") +output = eggp_run("test/data.csv test/data2.csv", 100, 100, 10, 3, 0.9, 0.3, "add,sub,mul,div,log", "Gaussian", 50, 2, -1, 3, 0, 0, 0, 0, "", "", "", 0) print(output) @@ -15,7 +15,7 @@ X = Z[:,:-1] y = Z[:,-1] -reg = EGGP(100, 100, 10, 3, 0.9, 0.3, "add,sub,mul,div,log", "LOG10", 50, 2, -1, 3, True, False, False, "", "") +reg = EGGP(gen=100, nPop=100, maxSize=10, nTournament=3, pc=0.9, pm=0.3, nonterminals="add,sub,mul,div,log", loss="Gaussian", optIter=50, optRepeat=2, nParams=-1, folds=3, max_time=0, simplify=False, trace=False, generational=False, dumpTo="", loadFrom="", useFracBayes=False) reg.fit(X, y) print(reg.score(X, y)) diff --git a/train.csv b/train.csv new file mode 100644 index 0000000..716a246 --- /dev/null +++ b/train.csv @@ -0,0 +1,101 @@ +x1,x2,y +3.3971534,1.5060675,29.918682 +3.5396705,1.3629639,34.485096 +3.1892567,1.7627553,24.32657 +2.077505,2.0247085,8.077058 +3.5830646,2.0398486,36.04615 +2.087038,1.2183205,8.090568 +2.516818,1.4462459,12.435076 +3.8804975,1.8343061,48.49928 +2.0558233,1.9809241,7.9042077 +3.4742355,1.3648912,32.30328 +3.630137,2.096489,37.78185 +2.7456832,1.8814874,15.644542 +3.217843,1.2963047,25.001226 +3.5291038,1.6559021,34.140057 +2.4246283,1.2343742,11.325945 +2.6478307,1.0118957,14.124878 +2.3336532,1.0347788,10.320389 +3.7038674,1.6209936,40.647144 +2.5821357,1.9523079,13.3013935 +2.2979202,1.1066563,9.967789 +3.8356636,1.7299566,46.371143 +3.2893844,1.4692005,26.864868 +2.8733153,1.7987359,17.758432 +3.2174582,1.9749258,25.029936 +2.0403705,2.0334494,7.787575 +3.4464512,1.6419284,31.435642 +3.8065047,1.0978804,45.001522 +2.6690512,1.0980386,14.437979 +2.5929854,1.5801861,13.424234 +3.0117788,1.0422236,20.328232 +3.6788259,1.9433348,39.657497 +3.128985,1.2565999,22.875254 +2.4685793,1.4507838,11.85269 +3.9450622,1.5278208,51.71579 +3.1234682,1.7896719,22.783516 +2.18427,1.6126902,8.948777 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+2.4355078,1.3167716,11.4574995 +3.1835284,1.2426059,24.154736 +2.61128,1.6812414,13.677263 +3.3453755,1.4677908,28.40913 +3.2589126,1.5776855,26.066637 +2.5458026,1.1063552,12.7666 +2.5980403,1.0967134,13.449199 +2.7999747,1.2692327,16.472204 +2.310279,1.7128961,10.145958 +2.0047007,1.2309713,7.455896 +3.9228,1.8631585,50.593437 +2.4005494,1.4427574,11.076637 +3.4432006,2.0723603,31.352612 +2.9035115,1.4588146,18.279991 +3.7617707,1.3626549,43.052574 +3.0615017,1.2402077,21.383158 +3.0878696,1.7306952,21.986301 +2.6463013,1.8889222,14.173387 +2.7779393,2.0824766,16.163515 +2.895896,1.4597867,18.141783 +2.4681807,1.9204984,11.877957 +2.1599507,1.6317598,8.737259 +2.5662956,1.0139499,13.019328 +3.0096786,1.5006015,20.324406 +2.3931513,1.2020718,10.972726 +3.9869628,1.8577783,53.941746 +2.3288248,1.9365753,10.347004 +2.748889,1.640554,15.681256 +3.0248127,2.09197,20.663427 +3.7674465,1.2789876,43.2919 +2.247457,1.1190584,9.479797 +3.4318662,1.7047931,30.984524 diff --git a/tutorials/__pycache__/db_workflow_example.cpython-313.pyc b/tutorials/__pycache__/db_workflow_example.cpython-313.pyc new file mode 100644 index 0000000..728815a Binary files /dev/null and b/tutorials/__pycache__/db_workflow_example.cpython-313.pyc differ diff --git a/tutorials/__pycache__/eggp_regression_integration.cpython-313.pyc b/tutorials/__pycache__/eggp_regression_integration.cpython-313.pyc new file mode 100644 index 0000000..a256d8c Binary files /dev/null and b/tutorials/__pycache__/eggp_regression_integration.cpython-313.pyc differ diff --git a/tutorials/datasets/example0.csv b/tutorials/datasets/example0.csv new file mode 100644 index 0000000..50170ef --- /dev/null +++ b/tutorials/datasets/example0.csv @@ -0,0 +1,15 @@ +Xaxis0,yaxis +45.0,3.38 +30.0,3.349 +15.0,2.827 +10.0,1.978 +7.16,1.462 +6.0,1.242 +5.0,1.049 +4.0,0.853 +3.0,0.623 +2.3,0.532 +1.5,0.383 +1.0,0.254 +0.5,0.219 +0.2,0.062 diff --git a/tutorials/datasets/example1.csv b/tutorials/datasets/example1.csv new file mode 100644 index 0000000..806c727 --- /dev/null +++ b/tutorials/datasets/example1.csv @@ -0,0 +1,11 @@ +Xaxis0,yaxis +35.0,3.004 +29.0,2.958 +24.0,2.858 +20.0,2.618 +15.0,2.127 +10.0,1.466 +6.0,0.856 +4.0,0.551 +2.0,0.295 +0.5,0.037 diff --git a/tutorials/datasets/example3.csv b/tutorials/datasets/example3.csv new file mode 100644 index 0000000..f0b897e --- /dev/null +++ b/tutorials/datasets/example3.csv @@ -0,0 +1,11 @@ +Xaxis0,yaxis +3.42,3.245 +2.91,3.205 +2.39,3.173 +1.92,3.143 +1.44,3.097 +1.09,2.991 +0.82,2.692 +0.48,1.732 +0.24,0.869 +0.1,0.39 diff --git a/tutorials/db_ci_example.py b/tutorials/db_ci_example.py new file mode 100644 index 0000000..d66df41 --- /dev/null +++ b/tutorials/db_ci_example.py @@ -0,0 +1,102 @@ +""" +db_ci_example.py - eggp DB mode with confidence intervals +========================================================= + +This tutorial demonstrates the eggp DB-backed mode with profile-likelihood +confidence intervals in the Pareto front output. + +The CI columns (ci_t0_lower, ci_t0_upper, ...) show the 95% profile-likelihood +interval for each parameter. Narrow intervals indicate well-estimated parameters; +wide intervals indicate high uncertainty. + +Run from the ``tutorials/`` directory:: + + python db_ci_example.py +""" + +import os +import time +import sqlite3 + +import numpy as np +import pandas as pd + +from eggp import EGGP + + +def make_dataset(path): + rng = np.random.default_rng(42) + n = 200 + x0 = rng.uniform(-3, 3, n) + x1 = rng.uniform(-3, 3, n) + y = np.sin(x0) + 0.5 * x1 + df = pd.DataFrame({"x0": x0, "x1": x1, "y": y}) + df.to_csv(path, index=False) + return df + + +def main(): + data_csv = "db_ci_data.csv" + db_file = "db_ci.db" + + for f in (data_csv, db_file): + if os.path.exists(f): + os.remove(f) + + df = make_dataset(data_csv) + X = df[["x0", "x1"]] + y = df["y"] + + print("Running eggp with DB mode and CI computation...") + print("The Pareto front CSV will include confidence interval columns.\n") + + model = EGGP( + gen=10, + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=30, + dbFile=db_file, + dbDataset="ci_demo", + dbFlushEvery=5, + ) + + t0 = time.time() + model.fit(X, y) + elapsed = time.time() - t0 + + print(f"\nFinished in {elapsed:.1f}s") + print(f"\nPareto front ({len(model.results)} expressions):") + + # Show the results with CI columns + cols_to_show = ["Expression", "loss_train", "size"] + ci_cols = [c for c in model.results.columns if c.startswith("ci_")] + if ci_cols: + cols_to_show.extend(ci_cols) + print(model.results[cols_to_show].to_string(index=False)) + print(f"\nCI columns: {', '.join(ci_cols)}") + print("Each parameter has lower/upper bounds showing the 95%") + print("profile-likelihood confidence interval.") + else: + print(model.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print("\n(No CI columns in output — check eggp version)") + + # Cleanup + for f in (data_csv, db_file): + try: + os.remove(f) + except OSError: + pass + + +if __name__ == "__main__": + main() diff --git a/tutorials/db_mode_example.py b/tutorials/db_mode_example.py new file mode 100644 index 0000000..e99eb41 --- /dev/null +++ b/tutorials/db_mode_example.py @@ -0,0 +1,224 @@ +""" +12 - eggp in DB mode: persistent e-graph with fitness caching +============================================================= + +This tutorial shows the *DB-backed* eggp mode: instead of keeping everything +in memory, eggp stores evaluated expressions and their fitness in a SQLite +database. This enables: + +1. **Fitness reuse**: expressions evaluated in a previous run are recognised + and their cached fitness is reused (skipping the expensive NLopt + optimisation). +2. **Expression deduplication**: crossover and mutation check the DB for + already-explored expressions, avoiding re-exploration of the search space. +3. **Persistence across runs**: the DB accumulates results over multiple + sessions; a new run picks up where the last left off. + +The in-memory GP loop is unchanged when ``dbFile=""`` (the default), so there +is zero overhead when the DB mode is not used. + +Run from the ``tutorials/`` directory:: + + python 12_db_mode_example.py +""" + +import os +import time +import sqlite3 + +import numpy as np +import pandas as pd + +from eggp import EGGP + +# --------------------------------------------------------------------------- +# Helper: inspect the DB +# --------------------------------------------------------------------------- + +def db_stats(db_path): + """Print basic statistics about the eggp database.""" + if not os.path.exists(db_path): + print(f" [DB not found: {db_path}]") + return + con = sqlite3.connect(db_path) + n_fit = con.execute("SELECT COUNT(*) FROM dataset_fit").fetchone()[0] + n_ds = con.execute("SELECT COUNT(*) FROM dataset").fetchone()[0] + n_ec = con.execute("SELECT COUNT(*) FROM eclass").fetchone()[0] if _table_exists(con, "eclass") else 0 + con.close() + print(f" dataset_fit rows: {n_fit} | datasets: {n_ds} | e-classes: {n_ec}") + +def _table_exists(con, name): + cur = con.execute("SELECT name FROM sqlite_master WHERE type='table' AND name=?", (name,)) + return cur.fetchone() is not None + +# --------------------------------------------------------------------------- +# Synthetic dataset +# --------------------------------------------------------------------------- + +def make_dataset(path): + rng = np.random.default_rng(42) + n = 200 + x0 = rng.uniform(-3, 3, n) + x1 = rng.uniform(-3, 3, n) + y = np.sin(x0) + 0.5 * x1 + df = pd.DataFrame({"x0": x0, "x1": x1, "y": y}) + df.to_csv(path, index=False) + return df + +# --------------------------------------------------------------------------- +# Main +# --------------------------------------------------------------------------- + +def main(): + data_csv = "db_tutorial_data.csv" + db_file = "db_tutorial.db" + + # Clean up any previous run + for f in (data_csv, db_file): + if os.path.exists(f): + os.remove(f) + + df = make_dataset(data_csv) + X = df[["x0", "x1"]] + y = df["y"] + + # =================================================================== + # Session 1: first run — builds the DB from scratch + # =================================================================== + print("=" * 64) + print("Session 1: first run (no prior DB)") + print("=" * 64) + + model1 = EGGP( + gen=10, + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=30, + # --- DB parameters --- + dbFile=db_file, + dbDataset="tutorial", + dbFlushEvery=5, # flush to DB every 5 generations + ) + + t0 = time.time() + model1.fit(X, y) + elapsed1 = time.time() - t0 + + print(f"\n Finished in {elapsed1:.1f}s") + print(f" Pareto front ({len(model1.results)} expressions):") + print(model1.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + db_stats(db_file) + + # =================================================================== + # Session 2: resume — reuses cached fitness from Session 1 + # =================================================================== + print("\n" + "=" * 64) + print("Session 2: resume from existing DB (fitness reuse)") + print("=" * 64) + + model2 = EGGP( + gen=10, + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=30, + # --- same DB file --- + dbFile=db_file, + dbDataset="tutorial", + dbFlushEvery=5, + ) + + t0 = time.time() + model2.fit(X, y) + elapsed2 = time.time() - t0 + + print(f"\n Finished in {elapsed2:.1f}s") + print(f" Pareto front ({len(model2.results)} expressions):") + print(model2.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + db_stats(db_file) + + # =================================================================== + # Session 3: even more generations — the DB keeps growing + # =================================================================== + print("\n" + "=" * 64) + print("Session 3: continue searching (DB accumulates)") + print("=" * 64) + + model3 = EGGP( + gen=20, # more generations this time + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=60, + dbFile=db_file, + dbDataset="tutorial", + dbFlushEvery=10, + ) + + t0 = time.time() + model3.fit(X, y) + elapsed3 = time.time() - t0 + + print(f"\n Finished in {elapsed3:.1f}s") + print(f" Pareto front ({len(model3.results)} expressions):") + print(model3.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + db_stats(db_file) + + # =================================================================== + # Summary + # =================================================================== + print("\n" + "=" * 64) + print("DB mode summary") + print("=" * 64) + print(f" Session 1 (fresh): {elapsed1:.1f}s") + print(f" Session 2 (resume): {elapsed2:.1f}s (reuses cached fitness)") + print(f" Session 3 (continue): {elapsed3:.1f}s") + print(f" Final DB stats:") + db_stats(db_file) + print() + print(" The DB file persists across runs. A new EGGP object pointed at the") + print(" same dbFile will load the fitness cache and skip re-evaluation of") + print(" expressions that were already fitted.") + print("=" * 64) + + # cleanup + for f in (data_csv, db_file): + try: + os.remove(f) + except OSError: + pass + + +if __name__ == "__main__": + main() diff --git a/tutorials/db_workflow_example.py b/tutorials/db_workflow_example.py new file mode 100644 index 0000000..c34096d --- /dev/null +++ b/tutorials/db_workflow_example.py @@ -0,0 +1,276 @@ +""" +db_workflow_example.py - End-to-end eggp DB mode workflow +========================================================== + +This tutorial shows the full eggp DB-backed workflow: GP search with fitness +caching, persistence across sessions, and Pareto front extraction with +confidence intervals. + +The DB mode enables: + 1. **Fitness caching**: expressions evaluated in a previous run are recognised + and their cached fitness is reused (skipping NLopt optimisation). + 2. **Persistence**: the DB accumulates results over multiple sessions; a new + run picks up where the last left off. + 3. **CI reporting**: the Pareto front includes profile-likelihood confidence + intervals for each parameter. + +Run from the ``tutorials/`` directory:: + + python db_workflow_example.py +""" + +import os +import time +import sqlite3 + +import numpy as np +import pandas as pd + +from eggp import EGGP + +# --------------------------------------------------------------------------- +# Helpers +# --------------------------------------------------------------------------- +def db_stats(db_path): + """Print DB statistics.""" + if not os.path.exists(db_path): + print(f" [DB not found: {db_path}]") + return {} + con = sqlite3.connect(db_path) + stats = {} + for table in ["dataset_fit", "eclass", "enode"]: + try: + stats[table] = con.execute(f"SELECT COUNT(*) FROM {table}").fetchone()[0] + except sqlite3.OperationalError: + stats[table] = 0 + # Count datasets + try: + stats["datasets"] = con.execute("SELECT COUNT(*) FROM dataset").fetchone()[0] + except sqlite3.OperationalError: + stats["datasets"] = 0 + con.close() + print(f" dataset_fit: {stats['dataset_fit']} rows | " + f"eclass: {stats['eclass']} | " + f"datasets: {stats['datasets']}") + return stats + + +def make_dataset(path, rng_seed=42, n=200): + """Create a synthetic dataset.""" + rng = np.random.default_rng(rng_seed) + x0 = rng.uniform(-3, 3, n) + x1 = rng.uniform(-3, 3, n) + y = np.sin(x0) + 0.5 * x1 + df = pd.DataFrame({"x0": x0, "x1": x1, "y": y}) + df.to_csv(path, index=False) + return df + + +# --------------------------------------------------------------------------- +# Main +# --------------------------------------------------------------------------- +def main(): + data_csv = "db_workflow_data.csv" + egraph_db = "db_workflow_egraph.db" + fit_db = "db_workflow_fit.db" + + for f in (data_csv, egraph_db, fit_db): + if os.path.exists(f): + os.remove(f) + + df = make_dataset(data_csv) + X = df[["x0", "x1"]] + y = df["y"] + + # =================================================================== + # Session 1: first run — builds the DB from scratch + # =================================================================== + print("=" * 64) + print("Session 1: first run (no prior DB)") + print("=" * 64) + + model1 = EGGP( + gen=10, + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=30, + # --- DB parameters --- + dbFile=egraph_db, + dbFitFile=fit_db, + dbDataset="demo", + dbFlushEvery=5, + ) + + t0 = time.time() + model1.fit(X, y) + elapsed1 = time.time() - t0 + + print(f"\n Finished in {elapsed1:.1f}s") + print(f" Pareto front ({len(model1.results)} expressions):") + print(model1.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + print(" DB stats:") + db_stats(fit_db) + + # =================================================================== + # Session 2: resume — reuses cached fitness from Session 1 + # =================================================================== + print("\n" + "=" * 64) + print("Session 2: resume from existing DB (fitness reuse)") + print("=" * 64) + + model2 = EGGP( + gen=10, + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=30, + # --- same DB files --- + dbFile=egraph_db, + dbFitFile=fit_db, + dbDataset="demo", + dbFlushEvery=5, + ) + + t0 = time.time() + model2.fit(X, y) + elapsed2 = time.time() - t0 + + print(f"\n Finished in {elapsed2:.1f}s") + print(f" Pareto front ({len(model2.results)} expressions):") + print(model2.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + print(" DB stats:") + db_stats(fit_db) + + # =================================================================== + # Session 3: continue searching — the DB keeps growing + # =================================================================== + print("\n" + "=" * 64) + print("Session 3: continue searching (more generations)") + print("=" * 64) + + model3 = EGGP( + gen=20, + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=60, + dbFile=egraph_db, + dbFitFile=fit_db, + dbDataset="demo", + dbFlushEvery=10, + ) + + t0 = time.time() + model3.fit(X, y) + elapsed3 = time.time() - t0 + + print(f"\n Finished in {elapsed3:.1f}s") + print(f" Pareto front ({len(model3.results)} expressions):") + print(model3.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + print(" DB stats:") + db_stats(fit_db) + + # =================================================================== + # Final: extract Pareto front with CI columns + # =================================================================== + print("\n" + "=" * 64) + print("Final: Pareto front with profile-likelihood CIs") + print("=" * 64) + + model_final = EGGP( + gen=5, + nPop=50, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=15, + dbFile=egraph_db, + dbFitFile=fit_db, + dbDataset="demo", + dbFlushEvery=0, + ) + model_final.fit(X, y) + + cols = ["Expression", "loss_train", "size"] + ci_cols = [c for c in model_final.results.columns if c.startswith("ci_")] + if ci_cols: + cols.extend(ci_cols) + + print(f"\nPareto front ({len(model_final.results)} expressions):") + print(model_final.results[cols].to_string(index=False)) + + if ci_cols: + print(f"\nCI columns: {', '.join(ci_cols)}") + print("Each parameter has lower/upper bounds (95% profile-likelihood CI).") + + # Export to CSV + out_csv = "db_workflow_results.csv" + model_final.results[cols].to_csv(out_csv, index=False) + print(f"\nResults exported to {out_csv}") + + # =================================================================== + # Summary + # =================================================================== + print("\n" + "=" * 64) + print("DB mode workflow summary") + print("=" * 64) + print(f" Session 1 (fresh): {elapsed1:.1f}s") + print(f" Session 2 (resume): {elapsed2:.1f}s (reuses cached fitness)") + print(f" Session 3 (continue): {elapsed3:.1f}s (DB accumulates)") + print(f" Final DB stats:") + db_stats(fit_db) + print() + print(" The DB persists across runs. A new EGGP object pointed at the") + print(" same dbFile/dbFitFile will load the fitness cache and skip") + print(" re-evaluation of expressions that were already fitted.") + print("=" * 64) + + # Cleanup + for f in (data_csv, egraph_db, fit_db, out_csv): + try: + os.remove(f) + except OSError: + pass + + +if __name__ == "__main__": + main() diff --git a/tutorials/eggp_regression_integration.py b/tutorials/eggp_regression_integration.py new file mode 100644 index 0000000..d015238 --- /dev/null +++ b/tutorials/eggp_regression_integration.py @@ -0,0 +1,306 @@ +""" +eggp_regression_integration.py - eggp and reggression integration via shared egraph +=================================================================================== + +This tutorial demonstrates cross-dataset analysis using a shared e-graph: + + 1. Run eggp on dataset A — discovers expressions, stores in egraph + fit_a + 2. Run eggp on dataset B using the SAME egraph — adds new expressions, fit_b + 3. Query top-N from both fit databases via reggression + 4. Find the intersection: e-classes that are top-ranked on BOTH datasets + +The shared egraph means expressions discovered on dataset A are available when +searching on dataset B. The intersection reveals "universally good" expressions +that perform well across different datasets. + +Run from the ``tutorials/`` directory:: + + python eggp_regression_integration.py +""" + +import os +import time +import sqlite3 + +import numpy as np +import pandas as pd + +from eggp import EGGP +from reggression import Reggression + +# --------------------------------------------------------------------------- +# Helpers +# --------------------------------------------------------------------------- +def make_dataset_a(path): + """Dataset A: y = sin(x0) + 0.5*x1 (trigonometric).""" + rng = np.random.default_rng(42) + n = 200 + x0 = rng.uniform(-3, 3, n) + x1 = rng.uniform(-3, 3, n) + y = np.sin(x0) + 0.5 * x1 + pd.DataFrame({"x0": x0, "x1": x1, "y": y}).to_csv(path, index=False) + + +def make_dataset_b(path): + """Dataset B: y = x0*x1 + 0.3*x0 (multiplicative).""" + rng = np.random.default_rng(99) + n = 200 + x0 = rng.uniform(-3, 3, n) + x1 = rng.uniform(-3, 3, n) + y = x0 * x1 + 0.3 * x0 + pd.DataFrame({"x0": x0, "x1": x1, "y": y}).to_csv(path, index=False) + + +def db_stats(db_path, label=""): + """Print DB statistics.""" + if not os.path.exists(db_path): + print(f" [{label} not found]") + return + con = sqlite3.connect(db_path) + tables = {} + for t in ["dataset_fit", "eclass", "enode"]: + try: + tables[t] = con.execute(f"SELECT COUNT(*) FROM {t}").fetchone()[0] + except sqlite3.OperationalError: + tables[t] = 0 + con.close() + print(f" {label}: fit_rows={tables['dataset_fit']} " + f"eclasses={tables['eclass']} enodes={tables['enode']}") + + +def get_top_ids(fit_db, dataset, n): + """Get the top-N eclass IDs from a fit DB.""" + con = sqlite3.connect(fit_db) + ds_rows = con.execute( + "SELECT id FROM dataset WHERE name = ?", (dataset,) + ).fetchall() + if not ds_rows: + con.close() + return [] + dsid = ds_rows[0][0] + rows = con.execute( + "SELECT eid FROM dataset_fit " + "WHERE dataset_id = ? AND fitted = 1 AND fitness IS NOT NULL " + "ORDER BY fitness DESC LIMIT ?", + (dsid, n) + ).fetchall() + con.close() + return [row[0] for row in rows] + + +# --------------------------------------------------------------------------- +# Main +# --------------------------------------------------------------------------- +def main(): + # --- Files --- + data_a_csv = "integ_data_a.csv" + data_b_csv = "integ_data_b.csv" + egraph_db = "integ_egraph.db" + fit_a_db = "integ_fit_a.db" + fit_b_db = "integ_fit_b.db" + + for f in (data_a_csv, data_b_csv, egraph_db, fit_a_db, fit_b_db): + if os.path.exists(f): + os.remove(f) + + # --- Create datasets --- + make_dataset_a(data_a_csv) + make_dataset_b(data_b_csv) + df_a = pd.read_csv(data_a_csv) + df_b = pd.read_csv(data_b_csv) + + # =================================================================== + # Step 1: Run eggp on dataset A + # =================================================================== + print("=" * 64) + print("Step 1: Run eggp on dataset A (trigonometric)") + print(" y = sin(x0) + 0.5*x1") + print("=" * 64) + + model_a = EGGP( + gen=15, + nPop=80, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin,cos", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=45, + dbFile=egraph_db, + dbFitFile=fit_a_db, + dbDataset="A", + dbFlushEvery=5, + ) + + t0 = time.time() + model_a.fit(df_a[["x0", "x1"]], df_a["y"]) + elapsed_a = time.time() - t0 + + print(f"\n Finished in {elapsed_a:.1f}s") + print(f" Pareto front ({len(model_a.results)} expressions):") + print(model_a.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + db_stats(egraph_db, "egraph.db (after A)") + db_stats(fit_a_db, "fit_a.db") + + # =================================================================== + # Step 2: Run eggp on dataset B using the SAME egraph + # =================================================================== + print("\n" + "=" * 64) + print("Step 2: Run eggp on dataset B (multiplicative)") + print(" y = x0*x1 + 0.3*x0") + print(" (shares egraph.db with dataset A)") + print("=" * 64) + + model_b = EGGP( + gen=15, + nPop=80, + maxSize=12, + nTournament=3, + pc=0.8, + pm=0.3, + nonterminals="add,sub,mul,div,sin,cos", + loss="MSE", + optIter=30, + optRepeat=2, + nParams=1, + folds=1, + simplify=True, + max_time=45, + dbFile=egraph_db, + dbFitFile=fit_b_db, + dbDataset="B", + dbFlushEvery=5, + ) + + t0 = time.time() + model_b.fit(df_b[["x0", "x1"]], df_b["y"]) + elapsed_b = time.time() - t0 + + print(f"\n Finished in {elapsed_b:.1f}s") + print(f" Pareto front ({len(model_b.results)} expressions):") + print(model_b.results[["Expression", "loss_train", "size"]].to_string(index=False)) + print() + db_stats(egraph_db, "egraph.db (after A+B)") + db_stats(fit_b_db, "fit_b.db") + + # =================================================================== + # Step 3: Query top-N from both datasets via reggression + # =================================================================== + print("\n" + "=" * 64) + print("Step 3: Query top-N from both fit databases via reggression") + print("=" * 64) + + N = 50 # large N to increase intersection probability + egg = Reggression(dataset=data_a_csv, loss="MSE") + + top_a = egg.dbTop(egraph_db, N, fitDb=fit_a_db) + top_b = egg.dbTop(egraph_db, N, fitDb=fit_b_db) + + print(f"\n Top {N} from dataset A:") + print(top_a[["Id", "Expression", "Fitness", "Size"]].head(10).to_string(index=False)) + print(f" ... ({len(top_a)} total)") + + print(f"\n Top {N} from dataset B:") + print(top_b[["Id", "Expression", "Fitness", "Size"]].head(10).to_string(index=False)) + print(f" ... ({len(top_b)} total)") + + # =================================================================== + # Step 4: Find intersection (e-classes in both top-N lists) + # =================================================================== + print("\n" + "=" * 64) + print("Step 4: Intersection — e-classes in both top-N lists") + print("=" * 64) + + ids_a = set(top_a["Id"].astype(int)) + ids_b = set(top_b["Id"].astype(int)) + common_ids = ids_a & ids_b + + print(f"\n Dataset A top-{N}: {len(ids_a)} unique e-classes") + print(f" Dataset B top-{N}: {len(ids_b)} unique e-classes") + print(f" Intersection: {len(common_ids)} e-classes in both") + + if common_ids: + # Build lookup for both tables + lookup_a = {int(row.Id): row for _, row in top_a.iterrows()} + lookup_b = {int(row.Id): row for _, row in top_b.iterrows()} + + print(f"\n Common e-classes (ranked by average fitness):") + common_data = [] + for eid in common_ids: + expr = lookup_a[eid]["Expression"] + fit_a_val = lookup_a[eid]["Fitness"] + fit_b_val = lookup_b[eid]["Fitness"] + size = lookup_a[eid]["Size"] + avg_fit = (fit_a_val + fit_b_val) / 2 + common_data.append((eid, expr, fit_a_val, fit_b_val, avg_fit, size)) + + # Sort by average fitness (higher = better for negative-MSE) + common_data.sort(key=lambda x: x[4], reverse=True) + + rows = [] + for eid, expr, fa, fb, avg, sz in common_data: + rows.append({ + "Id": eid, + "Expression": expr, + "Fit_A": f"{fa:.4f}", + "Fit_B": f"{fb:.4f}", + "Avg_Fit": f"{avg:.4f}", + "Size": sz, + }) + common_df = pd.DataFrame(rows) + print(common_df.to_string(index=False)) + else: + print("\n No common e-classes in top-N.") + print(" This can happen when the datasets have very different structure.") + print(" Try increasing N or using more generations.") + + # =================================================================== + # Step 5: Show the union (all unique e-classes across both) + # =================================================================== + print("\n" + "=" * 64) + print("Step 5: Union — all unique e-classes across both datasets") + print("=" * 64) + + all_ids = ids_a | ids_b + only_a = ids_a - ids_b + only_b = ids_b - ids_a + + print(f"\n Total unique e-classes: {len(all_ids)}") + print(f" Only in A's top-{N}: {len(only_a)}") + print(f" Only in B's top-{N}: {len(only_b)}") + print(f" In both: {len(common_ids)}") + + # =================================================================== + # Summary + # =================================================================== + print("\n" + "=" * 64) + print("Summary") + print("=" * 64) + print(f" Dataset A ({elapsed_a:.1f}s): {len(model_a.results)} Pareto expressions") + print(f" Dataset B ({elapsed_b:.1f}s): {len(model_b.results)} Pareto expressions") + print(f" Shared egraph: {db_stats.__name__} (see above)") + print(f" Intersection: {len(common_ids)} e-classes in both top-{N}") + print() + print(" The shared egraph lets eggp on dataset B benefit from expressions") + print(" discovered on dataset A. The intersection reveals expressions that") + print(" work well across different datasets — useful for model selection") + print(" and understanding which structure is universal vs dataset-specific.") + print("=" * 64) + + # Cleanup + for f in (data_a_csv, data_b_csv, egraph_db, fit_a_db, fit_b_db): + try: + os.remove(f) + except OSError: + pass + + +if __name__ == "__main__": + main() diff --git a/tutorials/mv_example.py b/tutorials/mv_example.py new file mode 100644 index 0000000..c34934f --- /dev/null +++ b/tutorials/mv_example.py @@ -0,0 +1,26 @@ +from eggp import EGGP +import pandas as pd + +pd.set_option('display.max_colwidth', 100) +# Load the example dataset +df0 = pd.read_csv("datasets/example0.csv") +df1 = pd.read_csv("datasets/example1.csv") +df3 = pd.read_csv("datasets/example3.csv") + +# Create an EGGP object, all parameters have default values. We will dump the results to a file named 'regression_example.egg' +# gen is the number of generations, nPop is the population size, maxSize is the maximum size of the expressions +# nTnament is the tournament size, pc and pm are the probabilities for performing crossover and mutation +# nonterminals is the function set +# loss is the loss function (see the boston house example for other values) +# optIter and optRepeat are the number of iterations and repetitions for the optimization of constants +# nParams is the number of parameters to include in the expression +# max_time is the maximum time in seconds to run the algorithm +# simplify indicates whether to simplify the expressions using equality saturation +# dumpTo dumps the final e-graph to a file +# By default it will run a multi-objective approach. +model = EGGP(gen=100, nPop=100, maxSize=15, nTournament=5, pc=0.8, pm=0.2, nonterminals='add,sub,mul,div,power,exp,log', loss='MSE', optIter=100, optRepeat=5, nParams=1, folds=1, max_time=120, simplify=False, dumpTo='regression_example.egg') + +model.fit_mvsr([df[['Xaxis0']] for df in [df0,df1,df3]], [df['yaxis'] for df in [df0,df1,df3]]) + +print("Multi-objective mode returning the Pareto front without simplifcation: ") +print(model.results[["Expression", "view", "loss_train", "maxloss"]])