Add backwards_ecal benchmark

Snakefile

@@ -1,6 +1,7 @@
 configfile: "snakemake.yml"
 
 include: "benchmarks/backgrounds/Snakefile"
+include: "benchmarks/backwards_ecal/Snakefile"
 include: "benchmarks/barrel_ecal/Snakefile"
 include: "benchmarks/ecal_gaps/Snakefile"
 include: "benchmarks/material_scan/Snakefile"

benchmarks/backwards_ecal/Snakefile

@@ -0,0 +1,90 @@
+rule backwards_ecal_sim:
+    input:
+        steering_file="EPIC/EVGEN/SINGLE/{PARTICLE}/{ENERGY}/{PHASE_SPACE}/{PARTICLE}_{ENERGY}_{PHASE_SPACE}.steer",
+        warmup="warmup/{DETECTOR_CONFIG}.edm4hep.root",
+    output:
+        "sim_output/backwards_ecal/{DETECTOR_CONFIG}/{PARTICLE}/{ENERGY}/{PHASE_SPACE}/{PARTICLE}_{ENERGY}_{PHASE_SPACE}.{INDEX}.edm4hep.root",
+    log:
+        "sim_output/backwards_ecal/{DETECTOR_CONFIG}/{PARTICLE}/{ENERGY}/{PHASE_SPACE}/{PARTICLE}_{ENERGY}_{PHASE_SPACE}.{INDEX}.edm4hep.root.log",
+    wildcard_constraints:
+        PARTICLE="(e-|pi-)",
+        ENERGY="[0-9]+[kMG]eV",
+        PHASE_SPACE="(3to50|45to135|130to177)deg",
+        INDEX="\d{4}",
+    params:
+        N_EVENTS=1000
+    shell:
+        """
+set -m # monitor mode to prevent lingering processes
+exec ddsim \
+  --runType batch \
+  --enableGun \
+  --steeringFile "{input.steering_file}" \
+  --random.seed 1{wildcards.INDEX} \
+  --filter.tracker edep0 \
+  -v WARNING \
+  --numberOfEvents {params.N_EVENTS} \
+  --compactFile $DETECTOR_PATH/{wildcards.DETECTOR_CONFIG}.xml \
+  --outputFile {output}
+"""
+
+
+rule backwards_ecal_recon:
+    input:
+        "sim_output/backwards_ecal/{DETECTOR_CONFIG}/{PARTICLE}/{ENERGY}/{PHASE_SPACE}/{PARTICLE}_{ENERGY}_{PHASE_SPACE}.{INDEX}.edm4hep.root",
+    output:
+        "sim_output/backwards_ecal/{DETECTOR_CONFIG}/{PARTICLE}/{ENERGY}/{PHASE_SPACE}/{PARTICLE}_{ENERGY}_{PHASE_SPACE}.{INDEX}.eicrecon.tree.edm4eic.root",
+    log:
+        "sim_output/backwards_ecal/{DETECTOR_CONFIG}/{PARTICLE}/{ENERGY}/{PHASE_SPACE}/{PARTICLE}_{ENERGY}_{PHASE_SPACE}.{INDEX}.eicrecon.tree.edm4eic.root.log",
+    wildcard_constraints:
+        INDEX="\d{4}",
+    shell: """
+set -m # monitor mode to prevent lingering processes
+exec env DETECTOR_CONFIG={wildcards.DETECTOR_CONFIG} \
+  eicrecon {input} -Ppodio:output_file={output} \
+  -Ppodio:output_include_collections=MCParticles,EcalEndcapNRecHits,EcalEndcapNClusters
+"""
+
+
+rule backwards_ecal_simulate:
+    input:
+        expand(
+            "sim_output/backwards_ecal/{{DETECTOR_CONFIG}}/{PARTICLE}/{ENERGY}/{PHASE_SPACE}/{PARTICLE}_{ENERGY}_{PHASE_SPACE}.{INDEX:04d}.eicrecon.tree.edm4eic.root",
+            PARTICLE=["pi-", "e-"],
+            ENERGY=[
+                "100MeV",
+                "200MeV",
+                "500MeV",
+                "1GeV",
+                "2GeV",
+                "5GeV",
+                "10GeV",
+                "20GeV",
+            ],
+            PHASE_SPACE=["130to177deg"],
+            INDEX=range(20),
+        ),
+    output:
+        touch("sim_output/backwards_ecal/{DETECTOR_CONFIG}/flag"),
+
+
+DETECTOR_CONFIG=os.environ["DETECTOR_CONFIG"]
+
+rule backwards_ecal:
+    input:
+        sim_output="sim_output/backwards_ecal/" + DETECTOR_CONFIG + "/flag",
+        matplotlibrc=".matplotlibrc",
+        script="benchmarks/backwards_ecal/backwards_ecal.py",
+    output:
+        directory("results/backwards_ecal")
+    threads: workflow.cores
+    shell:
+        """
+env \
+MATPLOTLIBRC={input.matplotlibrc} \
+DETECTOR_CONFIG=""" + DETECTOR_CONFIG + """ \
+PLOT_TITLE=""" + DETECTOR_CONFIG + """ \
+INPUT_PATH_FORMAT=sim_output/backwards_ecal/""" + DETECTOR_CONFIG + """/{{particle}}/{{energy}}/130to177deg/{{particle}}_{{energy}}_130to177deg.{{ix:04d}}.eicrecon.tree.edm4eic.root \
+OUTPUT_DIR={output} \
+python {input.script}
+"""

benchmarks/backwards_ecal/backwards_ecal.org

@@ -0,0 +1,200 @@
+#+PROPERTY: header-args:jupyter-python :session /jpy:localhost#8888:backwards_ecal :async yes :results drawer :exports both
+
+#+TITLE: ePIC EEEMCal benchmark
+#+AUTHOR: Dmitry Kalinkin
+#+OPTIONS: d:t
+
+#+LATEX_CLASS_OPTIONS: [9pt,letter]
+#+BIND: org-latex-image-default-width ""
+#+BIND: org-latex-image-default-option "scale=0.3"
+#+BIND: org-latex-images-centered nil
+#+BIND: org-latex-minted-options (("breaklines") ("bgcolor" "black!5") ("frame" "single"))
+#+LATEX_HEADER: \usepackage[margin=1in]{geometry}
+#+LATEX_HEADER: \setlength{\parindent}{0pt}
+#+LATEX: \sloppy
+
+#+begin_src jupyter-python :results silent
+import os
+from pathlib import Path
+
+import awkward as ak
+import numpy as np
+import vector
+import uproot
+from sklearn.metrics import roc_curve
+#+end_src   
+
+#+begin_src jupyter-python
+vector.register_awkward()
+#+end_src
+
+* Plotting setup
+
+#+begin_src jupyter-python :results silent
+import matplotlib as mpl
+import matplotlib.pyplot as plt
+
+def setup_presentation_style():
+    mpl.rcParams.update(mpl.rcParamsDefault)
+    plt.style.use('ggplot')
+    plt.rcParams.update({
+        'axes.labelsize': 8,
+        'axes.titlesize': 9,
+        'figure.titlesize': 9,
+        'figure.figsize': (4, 3),
+        'legend.fontsize': 7,
+        'xtick.labelsize': 8,
+        'ytick.labelsize': 8,
+        'pgf.rcfonts': False,
+    })
+
+setup_presentation_style()
+#+end_src       
+
+* Parameters
+
+#+begin_src jupyter-python :results silent
+DETECTOR_CONFIG=os.environ.get("DETECTOR_CONFIG")
+PLOT_TITLE=os.environ.get("PLOT_TITLE")
+INPUT_PATH_FORMAT=os.environ.get("INPUT_PATH_FORMAT", "EPIC/RECO/24.04.0/epic_craterlake/SINGLE/{particle}/{energy}/130to177deg/{particle}_{energy}_130to177deg.{ix:04d}.eicrecon.tree.edm4eic.root")
+INPUT_PATH_INDEX_RANGE=list(range(20))
+
+output_dir=Path(os.environ.get("OUTPUT_DIR", "./"))
+output_dir.mkdir(parents=True, exist_ok=True)
+#+end_src
+
+* Analysis
+
+First, we define a requirement on what phase we will consider for our
+analysis. The following function filters single-particle events that
+are thrown within $-3.5 < \eta < -2.0$:
+
+#+begin_src jupyter-python
+def filter_pointing(events):
+    part_momentum = ak.zip({
+        "m": events["MCParticles.mass"],
+        "px": events["MCParticles.momentum.x"],
+        "py": events["MCParticles.momentum.y"],
+        "pz": events["MCParticles.momentum.z"],
+    }, with_name="Momentum4D")
+    cond = (part_momentum.eta[:,0] > -3.5) & (part_momentum.eta[:,0] < -2.)
+    return events[cond]
+#+end_src
+
+#+begin_src jupyter-python
+energies = [
+    "100MeV",
+    "200MeV",
+    "500MeV",
+    "1GeV",
+    "2GeV",
+    "5GeV",
+    "10GeV",
+    "20GeV",
+]
+
+filter_name = [
+    "MCParticles.*",
+    "*EcalEndcapNRecHits*",
+    "*EcalEndcapNClusters*",
+]
+
+pi_eval = {}
+e_eval = {}
+
+for energy in energies:
+    pi_eval[energy] = filter_pointing(uproot.concatenate(
+        {INPUT_PATH_FORMAT.format(particle="pi-", energy=energy, ix=ix): "events" for ix in INPUT_PATH_INDEX_RANGE},
+        filter_name=filter_name,
+    ))
+    e_eval[energy] = filter_pointing(uproot.concatenate(
+        {INPUT_PATH_FORMAT.format(particle="e-", energy=energy, ix=ix): "events" for ix in INPUT_PATH_INDEX_RANGE},
+        filter_name=filter_name,
+    ))
+#+end_src
+
+** Pion rejection
+
+#+begin_src jupyter-python
+fig, axs = plt.subplots(2, 4, sharex=True, sharey=True, figsize=(15, 6))
+fig_log, axs_log = plt.subplots(2, 4, sharex=True, sharey=True, figsize=(15, 6))
+fig_roc, axs_roc = plt.subplots(2, 4, sharex=True, sharey=True, figsize=(15, 6))
+
+fig.suptitle(PLOT_TITLE)
+fig_log.suptitle(PLOT_TITLE)
+fig_roc.suptitle(PLOT_TITLE)
+
+axs = np.ravel(np.array(axs))
+axs_log = np.ravel(np.array(axs_log))
+axs_roc = np.ravel(np.array(axs_roc))
+
+rocs = {}
+
+for ix, energy in enumerate(energies):
+    for use_clusters in [False, True]:
+        energy_value = float(energy.replace("GeV", "").replace("MeV", "e-3"))
+        if use_clusters:
+            clf_label = "leading cluster"
+        else:
+            clf_label = "sum all hits"
+        def clf(events):
+            if use_clusters:
+                return ak.drop_none(ak.max(events["EcalEndcapNClusters.energy"], axis=-1)) / energy_value
+            else:
+                return ak.sum(events["EcalEndcapNRecHits.energy"], axis=-1) / energy_value
+        e_pred = clf(e_eval[energy])
+        pi_pred = clf(pi_eval[energy])
+
+        for do_log, ax in [(False, axs[ix]), (True, axs_log[ix])]:
+            plt.sca(ax)
+            plt.hist(e_pred, bins=np.linspace(0., 1.01, 101), label=rf"$e^-$ {clf_label}", hatch=None if use_clusters else r"xxx", alpha=0.8 if use_clusters else 1.)
+            plt.hist(pi_pred, bins=np.linspace(0., 1.01, 101), label=rf"$\pi^-$ {clf_label}", histtype="step")
+            plt.title(f"{energy}")
+            plt.legend()
+            plt.xlabel("Classifier output", loc="right")
+            plt.ylabel("Number of events", loc="top")
+            if do_log:
+                plt.yscale("log")
+
+        plt.sca(axs_roc[ix])
+        fpr, tpr, _ = roc_curve(
+            np.concatenate([np.ones_like(e_pred), np.zeros_like(pi_pred)]),
+            np.concatenate([e_pred, pi_pred]),
+        )
+        cond = fpr != 0 # avoid infinite rejection (region of large uncertainty)
+        cond &= tpr != 1 # avoid linear interpolation (region of large uncertainty)
+        def mk_interp(tpr, fpr):
+            def interp(eff):
+                return np.interp(eff, tpr, fpr)
+            return interp
+        rocs.setdefault(clf_label, {})[energy] = mk_interp(tpr, fpr)
+        plt.plot(tpr[cond] * 100, 1 / fpr[cond], label=f"{clf_label}")
+        plt.yscale("log")
+        plt.title(f"{energy}")
+        plt.legend(loc="lower left")
+        plt.xlabel("Electron efficiency, %", loc="right")
+        plt.ylabel("Pion rejection factor", loc="top")
+
+fig.savefig(output_dir / f"pred.pdf", bbox_inches="tight")
+plt.close(fig)
+fig_log.savefig(output_dir / f"pred_log.pdf", bbox_inches="tight")
+fig_log.show()
+fig_roc.savefig(output_dir / f"roc.pdf", bbox_inches="tight")
+fig_roc.show()
+
+plt.figure()
+for clf_label, roc in rocs.items():
+    plt.plot(
+        [float(energy.replace("GeV", "").replace("MeV", "e-3")) for energy in energies],
+        [1 / roc[energy](0.95) for energy in energies],
+        marker=".",
+        label=f"{clf_label}",
+    )
+plt.yscale("log")
+plt.title(INPUT_PATH_FORMAT)
+plt.legend()
+plt.xlabel("Energy, GeV", loc="right")
+plt.ylabel("Pion rejection at 95%", loc="top")
+plt.savefig(output_dir / f"pion_rej.pdf", bbox_inches="tight")
+plt.show()
+#+end_src

benchmarks/backwards_ecal/config.yml

@@ -0,0 +1,28 @@
+sim:backwards_ecal:
+  extends: .det_benchmark
+  stage: simulate
+  script:
+    - mkdir -p $LOCAL_DATA_PATH/input
+    - ln -s $LOCAL_DATA_PATH/input input
+    - |
+      snakemake --cores 5 \
+        sim_output/backwards_ecal/epic_craterlake
+
+bench:backwards_ecal_emcal_backwards:
+  extends: .det_benchmark
+  stage: benchmarks
+  needs:
+    - ["sim:backwards_ecal"]
+  script:
+    - ln -s $LOCAL_DATA_PATH/input input
+    - export PYTHONUSERBASE=$LOCAL_DATA_PATH/deps
+    - pip install -r benchmarks/backwards_ecal/requirements.txt
+    - snakemake --cores 8 backwards_ecal_ecal_backwards
+
+collect_results:backwards_ecal:
+  extends: .det_benchmark
+  stage: collect
+  needs:
+    - "bench:backwards_ecal_emcal_backwards"
+  script:
+    - ls -lrht

benchmarks/backwards_ecal/requirements.txt

@@ -0,0 +1,4 @@
+awkward >= 2.4.0
+scikit-learn
+uproot >= 5.2.0
+vector