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particleflow_spec.yaml
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670 lines (612 loc) · 21.1 KB
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# ParticleFlow Project Unified Configuration Specification
# This file serves as the single source of truth for dataset generation,
# processing pipeline, and model definitions.
project:
name: "particleflow"
description: "Machine Learning for Particle Flow Reconstruction"
# Site-specific configurations (Anchors)
# To switch sites, update the merge key (<<: *lxplus
sites:
#Tallinn has been tested extensively
tallinn: &tallinn
site_name: "tallinn"
executor: "slurm"
slurm_account: "hepusers"
container: "/scratch/persistent/joosep/singularity/pytorch-20260305-08d6950.sif"
bind_mounts:
- "/local"
- "/cvmfs"
- "/scratch/local"
- "/scratch/persistent"
paths:
storage_root: "/local/joosep/mlpf"
scratch_root: "/scratch/local/joosep"
project_root: "/home/joosep/particleflow"
cmssw_dir: "/scratch/persistent/joosep/CMSSW_15_0_5"
gpu_partition: "gpu"
cpu_partition: "main"
#lxplus has been tested to some extent, but not fully due to htcondor being quite overloaded
lxplus: &lxplus
site_name: "lxplus"
executor: "condor"
container: "/eos/user/j/jpata/www/pytorch-20260305-08d6950.sif"
bind_mounts:
- "/afs"
- "/cvmfs"
- "/eos/user/j/jpata"
- "/etc/pki/ca-trust"
- "/etc/tnsnames.ora"
- "/run"
paths:
storage_root: "/eos/user/j/jpata/mlpf"
scratch_root: "/tmp"
project_root: "/afs/cern.ch/work/j/jpata/particleflow"
cmssw_dir: "/cvmfs/cms.cern.ch"
gpu_partition: "tomorrow"
cpu_partition: "tomorrow"
#Running on a local machine is possible, change the paths below as needed
local: &local
site_name: "local"
executor: "local"
container: "https://jpata.web.cern.ch/jpata/pytorch-20260305-08d6950.sif"
bind_mounts:
- "/tmp"
- "/mnt/work"
paths:
storage_root: "/mnt/work/mlpf/"
scratch_root: "/tmp/particleflow"
project_root: "/home/joosep/particleflow"
cmssw_dir: "/home/joosep/particleflow/CMSSW_15_0_5"
gpu_partition: "local"
cpu_partition: "local"
# Selected site defaults (Merged into 'project'), choose 'tallinn' or 'lxplus'
<<: *local
# -----------------------------------------------------------------------------
# Dataset Productions
# Defines how raw data is generated (or found), processed, and registered in TFDS.
# Each production follows a unified directory structure:
# $workspace_dir/gen - Raw ROOT/EDM files from simulation
# $workspace_dir/post - Postprocessed intermediate files (parquet/pkl)
# $workspace_dir/tfds - Final TensorFlow Datasets
# -----------------------------------------------------------------------------
productions:
# CMS Production Campaign
cms_run3:
type: "cms"
model: "pyg-cms-v1"
comment: "Main production with CMSSW_15_0_5"
workspace_dir: "${project.paths.storage_root}/cms/20260204_cmssw_15_0_5_117d32"
config_dir: "${project.paths.project_root}"
gen_container: "/cvmfs/singularity.opensciencegrid.org/cmssw/cms:rhel8-x86_64"
# Common execution environment for this campaign
environment:
cmssw_release: "CMSSW_15_0_5"
cmssw_dir: "${project.cmssw_dir}"
scram_arch: "el8_amd64_gcc12"
memory:
gen: 6000
post: 4000
tfds: 8000
val: 8000 #fairly high mem limit due to CPU execution of the attention model and 8 threads
train: 16000
validation:
job_types: ["pf", "mlpf"]
use_cuda: False
threads: 8
validation_data:
job_types: ["pf", "mlpf"]
use_cuda: False
threads: 8
samples:
jetmet0:
input_filelist: "data/cms/run3/${project.site_name}/jetmet0.txt"
seed_range: [1, 100]
output_subdir: "Run2024C"
slurm_partition: "${project.cpu_partition}"
slurm_runtime: "48h"
# Step 1: Generation
# Defines the MC samples to be generated or processed
samples:
ttbar_pu:
process_name: "TTbar_13p6TeV_TuneCUETP8M1_cfi"
gen_script: "mlpf/data/cms/genjob_pu.sh"
seed_range: [100000, 100210]
events_per_job: 50
output_subdir: "pu55to75"
pu_type: "pu55to75"
ztt_pu:
process_name: "ZTT_All_hadronic_13p6TeV_TuneCUETP8M1_cfi"
gen_script: "mlpf/data/cms/genjob_pu.sh"
seed_range: [200000, 200210]
events_per_job: 100
output_subdir: "pu55to75"
pu_type: "pu55to75"
qcd_pu:
process_name: "QCDForPF_13p6TeV_TuneCUETP8M1_cfi"
gen_script: "mlpf/data/cms/genjob_pu.sh"
seed_range: [300000, 300210]
events_per_job: 100
output_subdir: "pu55to75"
pu_type: "pu55to75"
qcd_val:
process_name: "QCDForPF_13p6TeV_TuneCUETP8M1_cfi"
gen_script: "mlpf/data/cms/genjob_pu.sh"
seed_range: [400000, 400210]
events_per_job: 100
output_subdir: "pu55to75_val"
pu_type: "pu55to75"
copy_step2: True
ttbar_nopu:
process_name: "TTbar_13p6TeV_TuneCUETP8M1_cfi"
gen_script: "mlpf/data/cms/genjob_pu.sh"
seed_range: [800000, 800210]
events_per_job: 100
output_subdir: "nopu"
pu_type: "nopu"
qcd_nopu:
process_name: "QCDForPF_13p6TeV_TuneCUETP8M1_cfi"
gen_script: "mlpf/data/cms/genjob_pu.sh"
seed_range: [1000000, 1000210]
events_per_job: 100
output_subdir: "nopu"
pu_type: "nopu"
ztt_nopu:
process_name: "ZTT_All_hadronic_13p6TeV_TuneCUETP8M1_cfi"
gen_script: "mlpf/data/cms/genjob_pu.sh"
seed_range: [1100000, 1100210]
events_per_job: 100
output_subdir: "nopu"
pu_type: "nopu"
# Step 2: Postprocessing
# Converts ROOT/EDM output to intermediate format (pkl/parquet) for ML
postprocessing:
script: "mlpf/data/cms/postprocessing2.py"
args:
save_full_graph: false
num_events: -1 # process all
# Step 3: TFDS Conversion
# Mapping samples to TensorFlow Dataset Builders
tfds_mapping:
ttbar_pu:
builder_path: "mlpf/heptfds/cms_pf/ttbar"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
qcd_pu:
builder_path: "mlpf/heptfds/cms_pf/qcd"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
ztt_pu:
builder_path: "mlpf/heptfds/cms_pf/ztt"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
ttbar_nopu:
builder_path: "mlpf/heptfds/cms_pf/ttbar_nopu"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
qcd_nopu:
builder_path: "mlpf/heptfds/cms_pf/qcd_nopu"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
ztt_nopu:
builder_path: "mlpf/heptfds/cms_pf/ztt_nopu"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
# CLD Production
cld:
type: "key4hep"
model: "pyg-cld-v1"
comment: "CLD production with Key4Hep"
workspace_dir: "${project.paths.storage_root}/cld/v1.2.3_key4hep_2025-05-29_CLD_f1e8f9"
config_dir: "${project.paths.project_root}/mlpf/data/key4hep/gen/cld/CLDConfig"
gen_container: "/cvmfs/unpacked.cern.ch/gitlab-registry.cern.ch/key4hep/k4-deploy/alma9:latest"
memory:
gen: 4000
post: 2000
tfds: 4000
slurm_partition: "main"
slurm_runtime: "120m"
samples:
zz:
process_name: "p8_ee_ZZ_ecm365"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [100000, 101010]
events_per_job: 100
zz_tautau_365:
process_name: "p8_ee_ZZ_tautau_ecm365"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [100000, 101010]
events_per_job: 100
zz_tautau_240:
process_name: "p8_ee_ZZ_tautau_ecm240"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [100000, 101010]
events_per_job: 100
zh_tautau_365:
process_name: "p8_ee_ZH_Htautau_ecm365"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [200000, 201010]
events_per_job: 100
zh_tautau_240:
process_name: "p8_ee_ZH_Htautau_ecm240"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [200000, 201010]
events_per_job: 100
ttbar:
process_name: "p8_ee_ttbar_ecm365"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [300000, 300110]
events_per_job: 100
ww_fullhad:
process_name: "p8_ee_WW_fullhad_ecm365"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [400000, 401010]
events_per_job: 100
qq:
process_name: "p8_ee_qq_ecm365"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [500000, 501010]
events_per_job: 100
z_qq:
process_name: "p8_ee_Z_qq_ecm91"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [600000, 601010]
events_per_job: 100
z_tautau:
process_name: "p8_ee_Z_tautau_ecm91"
gen_script: "mlpf/data/key4hep/gen/cld/run_sim.sh"
seed_range: [700000, 701010]
events_per_job: 100
postprocessing:
script: "mlpf/data/key4hep/postprocessing.py"
args: {}
tfds_mapping:
ttbar:
builder_path: "mlpf/heptfds/cld_pf_edm4hep/ttbar"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
ww_fullhad:
builder_path: "mlpf/heptfds/cld_pf_edm4hep/ww_fullhad"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
zz:
builder_path: "mlpf/heptfds/cld_pf_edm4hep/zz"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
qq:
builder_path: "mlpf/heptfds/cld_pf_edm4hep/qq"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
tfds_hit_mapping:
ttbar:
builder_path: "mlpf/heptfds/cld_pf_edm4hep_hits/ttbar"
version: "3.1.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
ww_fullhad:
builder_path: "mlpf/heptfds/cld_pf_edm4hep_hits/ww_fullhad"
version: "3.1.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
zz:
builder_path: "mlpf/heptfds/cld_pf_edm4hep_hits/zz"
version: "3.1.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
qq:
builder_path: "mlpf/heptfds/cld_pf_edm4hep_hits/qq"
version: "3.1.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
# CLIC Production
clic:
type: "key4hep"
model: "pyg-clic-v1"
comment: "CLIC production with Key4Hep"
workspace_dir: "${project.paths.storage_root}/clic/v1.2.4_key4hep_2025-05-29_CLIC_819e4e"
config_dir: "${project.paths.project_root}/mlpf/data/key4hep/gen/clic"
gen_container: "/cvmfs/unpacked.cern.ch/gitlab-registry.cern.ch/key4hep/k4-deploy/alma9:latest"
memory:
gen: 4000
post: 1000
tfds: 8000
slurm_partition: "main"
slurm_runtime: "240m"
samples:
ttbar:
process_name: "p8_ee_ttbar_ecm380"
gen_script: "mlpf/data/key4hep/gen/clic/run_sim.sh"
seed_range: [300000, 301010]
events_per_job: 100
ww_fullhad:
process_name: "p8_ee_WW_fullhad_ecm380"
gen_script: "mlpf/data/key4hep/gen/clic/run_sim.sh"
seed_range: [400000, 401010]
events_per_job: 100
qq:
process_name: "p8_ee_qq_ecm380"
gen_script: "mlpf/data/key4hep/gen/clic/run_sim.sh"
seed_range: [500000, 501010]
events_per_job: 100
postprocessing:
script: "mlpf/data/key4hep/postprocessing.py"
args: {}
tfds_mapping:
ttbar:
builder_path: "mlpf/heptfds/clic_pf_edm4hep/ttbar"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
ww_fullhad:
builder_path: "mlpf/heptfds/clic_pf_edm4hep/ww_fullhad"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
qq:
builder_path: "mlpf/heptfds/clic_pf_edm4hep/qq"
version: "3.0.0"
config_ids: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
# -----------------------------------------------------------------------------
# Model Configurations
# Defines training recipes. Can inherit from defaults or other models.
# The multipliers are tuned for an 80GB A100 for training.
# -----------------------------------------------------------------------------
models:
defaults: &defaults
backend: pytorch
gpus: 1
threads: 16
gpu_type: a100
mem_per_gpu_mb: 80000
slurm_partition: "${project.gpu_partition}"
slurm_runtime: "48h"
optimizer: adamw
lr_schedule: cosinedecay
dtype: bfloat16
load: null
num_steps: 100000
comet: false
comet_step_freq: 10000
ntrain: null #use full train dataset for training
nvalid: null #use full valid dataset for validation
ntest: 100 #do test on a small subset
sort_data: false
num_workers: 8
prefetch_factor: 2
patience: 10000
checkpoint_freq: 10000
val_freq: 10000
pyg-cms-v1:
<<: *defaults
dataset: cms
gpu_batch_multiplier: 4
# Dataset Selection
train_datasets:
physical_pu:
batch_size: 1
samples:
- name: "cms_pf_ttbar"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_qcd"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_ztt"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
physical_nopu:
batch_size: 16
samples:
- name: "cms_pf_ttbar_nopu"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_qcd_nopu"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_ztt_nopu"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
validation_datasets:
physical_pu:
batch_size: 1
samples:
- name: "cms_pf_ttbar"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_qcd"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_ztt"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
physical_nopu:
batch_size: 16
samples:
- name: "cms_pf_ttbar_nopu"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_qcd_nopu"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_ztt_nopu"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
test_datasets:
- name: "cms_pf_ttbar"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_qcd"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cms_pf_ztt"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
# Hyperparameters
hyperparameters:
batch_size: 1
lr: 0.0004
# Architecture Definition
architecture:
type: "attention"
input_encoding: "split"
attention:
num_convs: 3
head_dim: 16
num_heads: 16
# Example: CLD Model
pyg-cld-v1:
<<: *defaults
dataset: cld
gpu_batch_multiplier: 1024
hyperparameters:
batch_size: 1
lr: 0.0005
architecture:
type: "attention"
input_encoding: "split"
attention:
num_convs: 3
head_dim: 16
num_heads: 16
# Dataset Selection
train_datasets:
physical:
batch_size: 1
samples:
- name: "cld_edm_ttbar_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_ww_fullhad_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_qq_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
validation_datasets:
physical:
batch_size: 1
samples:
- name: "cld_edm_ttbar_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_ww_fullhad_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_qq_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
test_datasets:
- name: "cld_edm_ttbar_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_ww_fullhad_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_qq_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
pyg-cld-hits-v1:
<<: *defaults
dataset: cld_hits
gpu_batch_multiplier: 16
hyperparameters:
batch_size: 1
lr: 0.0001
architecture:
type: "attention"
input_encoding: "split"
attention:
num_convs: 3
head_dim: 16
num_heads: 16
# Dataset Selection
train_datasets:
physical:
batch_size: 1
samples:
- name: "cld_edm_ttbar_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_ww_fullhad_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_qq_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_zz_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
validation_datasets:
physical:
batch_size: 1
samples:
- name: "cld_edm_ttbar_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_ww_fullhad_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_qq_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_zz_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
test_datasets:
- name: "cld_edm_ttbar_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_ww_fullhad_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_qq_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "cld_edm_zz_hits"
version: "3.1.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
# CLIC Model
pyg-clic-v1:
<<: *defaults
dataset: clic
gpu_batch_multiplier: 1024
hyperparameters:
batch_size: 1
lr: 0.0005
architecture:
type: "attention"
input_encoding: "split"
attention:
num_convs: 3
head_dim: 16
num_heads: 16
# Dataset Selection
train_datasets:
physical:
batch_size: 1
samples:
- name: "clic_edm_ttbar_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "clic_edm_ww_fullhad_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "clic_edm_qq_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
validation_datasets:
physical:
batch_size: 1
samples:
- name: "clic_edm_ttbar_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "clic_edm_ww_fullhad_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "clic_edm_qq_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
test_datasets:
- name: "clic_edm_ttbar_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "clic_edm_ww_fullhad_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]
- name: "clic_edm_qq_pf"
version: "3.0.0"
splits: ["1", "2", "3", "4", "5", "6", "7", "8", "9", "10"]