[Do not merge] Implement non-jax versions of IQP models

.gitignore

@@ -179,5 +179,10 @@ cython_debug/
 #  and can be added to the global gitignore or merged into this file.  For a more nuclear
 #  option (not recommended) you can uncomment the following to ignore the entire idea folder.
 .idea/
-
+old/
+.bash_history
+.local/
+.viminfo
+hyperplanes_diff/
+linearly_separable/
 

Makefile

@@ -0,0 +1,29 @@
+PYTHON3 := $(shell which python3 2>/dev/null)
+
+PYTHON := python3
+
+.PHONY: help
+help:
+	@echo "Please use \`make <target>' where <target> is one of"
+	@echo "  clean              to delete all temporary, cache, and build files"
+	@echo "  format [check=1]   to apply black formatter; use with 'check=1' to check instead of modify (requires black)"
+	@echo "  lint               to run pylint on source files"
+
+.PHONY : clean
+clean:
+	rm -rf src/qml_benchmarks.egg-info/
+	rm -rf src/qml_benchmarks/__pycache__/
+	rm -rf src/qml_benchmarks/models/__pycache__/
+
+.PHONY:format
+format:
+ifdef check
+	black -l 100 ./src/qml_benchmarks --check
+else
+	black -l 100 ./src/qml_benchmarks
+endif
+
+.PHONY: lint
+lint:
+	pylint src/qml_benchmarks --rcfile .pylintrc
+

nersc/Dockerfile.ubu22-PennyLane

@@ -0,0 +1,51 @@
+FROM ubuntu:22.04
+
+# time podman-hpc build -f Dockerfile.ubu22-PennyLane -t balewski/ubu22-pennylane:p5   .
+#>>> real	6m47.959s
+
+# podman commit  -a "Jan Balewski"  c3d48cf15876XXX  balewski/XXXkit-qml:p2ch
+# on laptop:
+#  podman run -it balewski/ubu22-pennylane:p0 bash
+# time python3 -c 'import pennylane'
+
+# is needed by  tzdada which sets sth for one of libs in section 2
+ARG DEBIAN_FRONTEND=noninteractive
+ENV TZ=America/Los_Angeles
+
+RUN echo 1a-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA  OS update   && \
+    apt-get update && \
+    apt-get install -y  locales autoconf automake gcc g++ make vim wget  ssh  openssh-server sudo   git emacs aptitude build-essential xterm python3-pip   python3-tk python3-scipy python3-dev iputils-ping net-tools screen feh hdf5-tools python3-bitstring mlocate graphviz  tzdata x11-apps && \
+    apt-get clean all
+
+# Forbid installing qiskit-terra  for qiskit 1.0 
+RUN echo 2b-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   Qiskit 1.0 libs  && \
+    pip3 install -c https://qisk.it/1-0-constraints qiskit[visualization] qiskit-ibm-runtime qiskit-machine-learning qiskit_ibm_experiment qiskit-aer
+
+
+RUN echo 2c-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   ML+QML  libs  && \
+    pip3 install scikit-learn pandas seaborn[stats]  networkx[default] optuna
+
+
+RUN echo 2d-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   python libs  && \
+    pip3 install --upgrade pip && \
+    pip3 install matplotlib h5py ruamel.yaml  scipy    jupyter notebook  bitstring
+
+# notes: python3-tk instals TK for matplotlib to display graphic
+RUN echo 2e-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   python libs  && \
+    pip3 install  --upgrade Pillow
+
+
+# based on  https://pennylane.ai/install/
+# based on  https://pytorch.org/get-started/locally/
+
+RUN echo 3a-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   pennylane  && \
+    pip3 install pennylane --upgrade && \
+    pip3 install pennylane-lightning pennylane-lightning[gpu] pennylane-sf pennylane-qiskit pennylane-cirq pennylane-catalyst scipy==1.11.4  && \
+    pip3 install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cpu
+
+RUN echo 3b-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   JAX  && \
+    pip3 install "jax[cpu]"==0.4.23 && \
+    pip3 install jaxopt optax
+
+
+

nersc/container/Dockerfile.ubu22-PennyLane

@@ -0,0 +1,51 @@
+FROM ubuntu:22.04
+
+# time podman-hpc build -f Dockerfile.ubu22-PennyLane -t balewski/ubu22-pennylane:p5   .
+#>>> real	6m47.959s
+
+# podman commit  -a "Jan Balewski"  c3d48cf15876XXX  balewski/XXXkit-qml:p2ch
+# on laptop:
+#  podman run -it balewski/ubu22-pennylane:p0 bash
+# time python3 -c 'import pennylane'
+
+# is needed by  tzdada which sets sth for one of libs in section 2
+ARG DEBIAN_FRONTEND=noninteractive
+ENV TZ=America/Los_Angeles
+
+RUN echo 1a-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA  OS update   && \
+    apt-get update && \
+    apt-get install -y  locales autoconf automake gcc g++ make vim wget  ssh  openssh-server sudo   git emacs aptitude build-essential xterm python3-pip   python3-tk python3-scipy python3-dev iputils-ping net-tools screen feh hdf5-tools python3-bitstring mlocate graphviz  tzdata x11-apps && \
+    apt-get clean all
+
+# Forbid installing qiskit-terra  for qiskit 1.0 
+RUN echo 2b-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   Qiskit 1.0 libs  && \
+    pip3 install -c https://qisk.it/1-0-constraints qiskit[visualization] qiskit-ibm-runtime qiskit-machine-learning qiskit_ibm_experiment qiskit-aer
+
+
+RUN echo 2c-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   ML+QML  libs  && \
+    pip3 install scikit-learn pandas seaborn[stats]  networkx[default] optuna
+
+
+RUN echo 2d-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   python libs  && \
+    pip3 install --upgrade pip && \
+    pip3 install matplotlib h5py ruamel.yaml  scipy    jupyter notebook  bitstring
+
+# notes: python3-tk instals TK for matplotlib to display graphic
+RUN echo 2e-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   python libs  && \
+    pip3 install  --upgrade Pillow
+
+
+# based on  https://pennylane.ai/install/
+# based on  https://pytorch.org/get-started/locally/
+
+RUN echo 3a-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   pennylane  && \
+    pip3 install pennylane --upgrade && \
+    pip3 install pennylane-lightning pennylane-lightning[gpu] pennylane-sf pennylane-qiskit pennylane-cirq pennylane-catalyst scipy==1.11.4  && \
+    pip3 install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cpu
+
+RUN echo 3b-AAAAAAAAAAAAAAAAAAAAAAAAAAAAA   JAX  && \
+    pip3 install -U "jax[cpu]" && \
+    pip3 install jaxopt optax
+
+
+

nersc/container/Readme

@@ -0,0 +1,135 @@
+Usage of Podman container for PennyLane
+
+details are here
+https://docs.google.com/document/d/1LHYlTXtOyA5vZSrJF0IdZf3L88DcguMWXyHAPLV-MvU/edit?usp=sharing
+
+
+Summary:
+This is an instruction on how to build and use a Podman image.
+The example consists of three parts:
+A) Building the image, which I've already completed on PM.
+B) Running the image on PM in three modes: simple interactive, advanced interactive, and a Slurm job that executes your code inside a podman image.
+C) Running the same image on your laptop. You'll need to build it as described in A), but then running it is straightforward.
+
+
+
+= = = 
+A = = = = = = = = = =  building container (one time) = = = = = = = = =
+= = = 
+Dockerfile: Dockerfile.ubu22-PennyLane
+Laptop: 
+    podman build -f Dockerfile.ubu22-PennyLane -t balewski/ubu22-pennylane:p5   .
+Perlmutter
+   podman-hpc build -f Dockerfile.ubu22-PennyLane -t balewski/ubu22-pennylane:p5   .
+   POD_PUB=/cfs/cdirs/nstaff/balewski/podman_common/
+   podman-hpc --squash-dir /global/$POD_PUB migrate  balewski/ubu22-pennylane:p5
+   chmod -R a+rx  /global/$POD_PUB   # to allow anyone to use this image
+
+   Note,  the instruction above is for user:balewski who has access to CFS/nstaff - change the strings as needed
+
+
+
+= = = 
+B = = = = = = = = = =   Perlmutter @ NERSC = = = = = = = = =
+= = = 
+
+B.1  - - - - - -  simple interactive use  on a worker node - - - - - - - 
+
+ssh perlmutter
+export PS1="\h:\W> "  # to reduce too long names of directoriesexport PS1="\h:\W> "  # to reduce too long names of directories
+
+POD_PUB=/cfs/cdirs/nstaff/balewski/podman_common/
+export PODMANHPC_ADDITIONAL_STORES=/dvs_ro/$POD_PUB
+cd  $SCRATCH/tmp
+salloc -q interactive -C cpu -t 4:00:00 -A nstaff
+podman-hpc run -it  balewski/ubu22-pennylane:p5 bash
+ python3 -c 'import pennylane'
+exit
+
+
+B.2  - - - - - -  advanced interactive use  on a worker node - - - - - - - 
+copy & customize  https://github.com/balewski/quantumMind/blob/main/PennyLane/pm_podman.source   
+to configure shortcuts to your liking
+
+ssh perlmutter
+salloc -q interactive -C cpu -t 4:00:00 -A nstaff
+source pm_podman.source 
+
+[ do your work ]
+
+exit  #from podman
+exit # from salloc
+
+
+
+B.3  - - - - - -  advanced : Slurm job with multiple task  using Podman image- - - - - - - 
+  copy and customize https://github.com/balewski/quantumMind/tree/main/PennyLane/qml_intro/
+batchPodman.slr
+wrap_podman.sh
+
+You will edit code stored  in CFS area but running job will read/write from/to SCRATCH using its copy.  Do NOT start Podman image manually
+
+ssh perlmutter
+ssh CFS  (to your area )
+sbatch batchPodman.slr
+
+
+B.4  - - - - - -  advanced :  install project spceciffic software, NOT recommended but possible
+
+ssh pm
+
+IMG=jbowles/ubu22-pennylane:p5
+POD_PUB=/dvs_ro/cfs/cdirs/m4139/qml-benchmarks/nersc/podman/
+export PODMANHPC_ADDITIONAL_STORES=$POD_PUB
+CFSH=$SCRATCH/pennylane_wrk  # for Jan
+#CFSH=/global/cfs/cdirs/m4139  # for Joseph
+podman-hpc run -it --volume  $CFSH/qml-benchmarks:/root --workdir /root  $IMG  bash
+pip3 install    --user .       # inside image, create private ./local
+
+exit
+
+Testing:
+podman-hpc run -it  …
+python3 -u -c "import qml_benchmarks "
+exit
+
+AND when lanuching podman image you must have this volume mount, on the top of all other volumes you need:
+
+ --volume  $CFSH/qml-benchmarks:/root 
+
+B.5  - - - - - -  advanced : jupiter notebook on the laptop powered by Podman PennyLane image running on PM - - - - - - - 
+  Easy to do 
+
+
+
+
+= = = 
+C = = = = = = = = = =   Laptop = = = = = = = = =
+= = = 
+
+C.1  - - - - - -  simple interactive use  on a laptop - - - - - - - 
+$ podman run -it  balewski/ubu22-pennylane:p3 bash
+ python3 -c 'import pennylane'
+exit
+
+
+C.2  - - - - - -  advanced w/ predefined volume mounts on a laptop  - - - - - - - 
+copy & customize  https://github.com/balewski/quantumMind/blob/main/PennyLane/laptop_podman.source 
+to configure shortcuts to your liking
+
+source laptop_podman.source 
+
+[ do your work ]
+
+exit  #from podman
+
+If you need to reset podman, do :   source restart_podman.source
+
+
+C.4  - - - - - -  advanced : jupiter notebook on the laptop powered by Podman PennyLane image running on the laptop - - - - - - - 
+
+source laptop_podman.source jnb 
+(exec inside running image)  jupyter notebook --ip 0.0.0.0 --no-browser --allow-root --port  8833 
+copy http  string and paste into local browser , e.g:   http://127.0.0.1:8833/tree?token=7c5cdf5e5c4f1a9d2a616a739988132d59f1a7ca3f4c0779
+
+Troubleshooting: if JNB remains blank change port ID in  laptop_podman.source  and restart the image

nersc/performance_indicators/JAX/IQPKernelClassifier_linearly_separable_13d_performance_indicators_JAX.csv

@@ -0,0 +1,2 @@
+construct_kernel_time,training_time,predict_time,hyperparameters
+3860.4390046596527,3860.4435765743256,3755.371912240982,"{'repeats': 10, 'use_jax': True, 'vmap': True, 'jit': True}"