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"""Main benchmark orchestrator and CLI."""
import argparse
import json
import statistics
import time
from concurrent.futures import ProcessPoolExecutor, as_completed
from pathlib import Path
from typing import List, Optional
from .datasets import download_dataset, get_cases, DATASETS
from .scoring import AlignmentResult, EXTERNAL_TOOLS, run_case
def _run_one(args):
"""Worker function for parallel execution."""
case, method, binary, n_threads, refine, adaptive_budget, ensemble = args
return run_case(case, method=method, binary=binary, n_threads=n_threads,
refine=refine, adaptive_budget=adaptive_budget, ensemble=ensemble)
def _result_label(r) -> str:
"""Format a concise label showing method and config for verbose output."""
if r.method in EXTERNAL_TOOLS:
return r.method
parts = ["kalign"]
if r.refine != "none":
parts.append(f"refine={r.refine}")
if r.ensemble:
parts.append(f"ens={r.ensemble}")
return " ".join(parts)
def run_benchmark(
dataset: str = "balibase",
methods: Optional[List[str]] = None,
refine_modes: Optional[List[str]] = None,
max_cases: int = 0,
binary: str = "kalign",
n_threads: int = 1,
verbose: bool = False,
adaptive_budget: bool = False,
ensemble: int = 0,
parallel: int = 1,
) -> List[AlignmentResult]:
"""Run benchmark suite and return results."""
if methods is None:
methods = ["python_api"]
if refine_modes is None:
refine_modes = ["none"]
cases = get_cases(dataset, max_cases=max_cases if max_cases > 0 else None)
if not cases:
print(f"No benchmark cases found for dataset '{dataset}'.")
print("Try running with --download-only first.")
return []
print(f"Running {len(cases)} cases from '{dataset}' with methods: {methods}, refine: {refine_modes}")
if parallel > 1:
print(f"Using {parallel} parallel workers")
print()
# Build work items
work = []
for case in cases:
for method in methods:
if method in EXTERNAL_TOOLS:
# External tools don't support refine/ensemble — run once
work.append((case, method, binary, n_threads, "none", False, 0))
else:
for refine in refine_modes:
work.append((case, method, binary, n_threads, refine, adaptive_budget, ensemble))
total = len(work)
if parallel <= 1:
# Sequential (original behavior)
results = []
for i, item in enumerate(work):
result = _run_one(item)
results.append(result)
if verbose:
label = _result_label(result)
if result.error:
print(f"[{i+1}/{total}] {result.family:<12} {label:<25} ERROR: {result.error}")
else:
print(f"[{i+1}/{total}] {result.family:<12} {label:<25} SP={result.recall:.3f} TC={result.tc:.3f} F1={result.f1:.3f} {result.wall_time:.1f}s")
else:
# Parallel execution
results = [None] * total
done = 0
with ProcessPoolExecutor(max_workers=parallel) as pool:
futures = {pool.submit(_run_one, item): i for i, item in enumerate(work)}
for future in as_completed(futures):
idx = futures[future]
result = future.result()
results[idx] = result
done += 1
if verbose:
label = _result_label(result)
if result.error:
print(f"[{done}/{total}] {result.family:<12} {label:<25} ERROR: {result.error}")
else:
print(f"[{done}/{total}] {result.family:<12} {label:<25} SP={result.recall:.3f} TC={result.tc:.3f} F1={result.f1:.3f} {result.wall_time:.1f}s")
return results
def print_summary(results: List[AlignmentResult]) -> None:
"""Print aggregate summary of benchmark results."""
by_group = {}
for r in results:
if r.error:
continue
ens = f" ensemble={r.ensemble}" if r.ensemble else ""
key = f"{r.method} refine={r.refine}{ens}"
by_group.setdefault(key, []).append(r)
for group, group_results in sorted(by_group.items()):
recalls = [r.recall for r in group_results]
precisions = [r.precision for r in group_results]
f1s = [r.f1 for r in group_results]
tcs = [r.tc for r in group_results]
times = [r.wall_time for r in group_results]
print(f"\n--- {group} ({len(group_results)} cases) ---")
print(f" SP: mean={statistics.mean(recalls):.3f} "
f"median={statistics.median(recalls):.3f} "
f"min={min(recalls):.3f} max={max(recalls):.3f}")
print(f" TC: mean={statistics.mean(tcs):.3f} "
f"median={statistics.median(tcs):.3f}")
print(f" Precision: mean={statistics.mean(precisions):.3f} "
f"median={statistics.median(precisions):.3f}")
print(f" F1: mean={statistics.mean(f1s):.3f} "
f"median={statistics.median(f1s):.3f}")
print(f" Time (s): total={sum(times):.1f} "
f"mean={statistics.mean(times):.2f} "
f"max={max(times):.2f}")
errors = [r for r in results if r.error]
if errors:
print(f"\n{len(errors)} error(s):")
for r in errors:
print(f" {r.family} ({r.method} refine={r.refine}): {r.error}")
def save_results(results: List[AlignmentResult], path: str) -> None:
"""Save results as JSON."""
data = {
"timestamp": time.strftime("%Y-%m-%dT%H:%M:%S"),
"results": [r.to_dict() for r in results],
"summary": {},
}
by_group = {}
for r in results:
if r.error:
continue
ens = f"_ensemble={r.ensemble}" if r.ensemble else ""
key = f"{r.method}_refine={r.refine}{ens}"
by_group.setdefault(key, []).append(r)
for group, group_results in by_group.items():
scores = [r.sp_score for r in group_results]
recalls = [r.recall for r in group_results]
precisions = [r.precision for r in group_results]
f1s = [r.f1 for r in group_results]
tcs = [r.tc for r in group_results]
data["summary"][group] = {
"n_cases": len(group_results),
"sp_mean": statistics.mean(scores),
"sp_median": statistics.median(scores),
"sp_min": min(scores),
"sp_max": max(scores),
"recall_mean": statistics.mean(recalls),
"precision_mean": statistics.mean(precisions),
"f1_mean": statistics.mean(f1s),
"tc_mean": statistics.mean(tcs),
"total_time": sum(r.wall_time for r in group_results),
}
Path(path).parent.mkdir(parents=True, exist_ok=True)
with open(path, "w") as f:
json.dump(data, f, indent=2)
print(f"\nResults saved to {path}")
def main() -> None:
parser = argparse.ArgumentParser(
description="Kalign alignment benchmark suite",
prog="python -m benchmarks",
)
parser.add_argument(
"--dataset",
default="balibase",
choices=list(DATASETS.keys()) + ["all"],
help="Which dataset to benchmark (default: balibase)",
)
parser.add_argument(
"--method",
nargs="+",
default=["python_api"],
choices=["python_api", "cli", "clustalo", "mafft", "muscle"],
help="Alignment method(s) to test (default: python_api)",
)
parser.add_argument(
"--max-cases",
type=int,
default=0,
help="Limit number of test cases (0 = all)",
)
parser.add_argument(
"--binary",
default="build/src/kalign",
help="Path to C-compiled kalign binary for CLI method (default: build/src/kalign)",
)
parser.add_argument(
"--refine",
nargs="+",
default=["none"],
choices=["none", "all", "confident"],
help="Refinement mode(s) to test (default: none)",
)
parser.add_argument(
"--threads",
type=int,
default=1,
help="Number of threads per alignment (default: 1)",
)
parser.add_argument(
"--output",
default="",
help="Output JSON file for results",
)
parser.add_argument(
"--adaptive-budget",
action="store_true",
help="Scale trial count by uncertainty",
)
parser.add_argument(
"--ensemble",
type=int,
default=0,
help="Number of ensemble runs (0 = off)",
)
parser.add_argument(
"-j", "--parallel",
type=int,
default=1,
help="Number of parallel workers for benchmark cases (default: 1)",
)
parser.add_argument(
"--download-only",
action="store_true",
help="Only download datasets, don't run benchmarks",
)
parser.add_argument(
"-v", "--verbose",
action="store_true",
help="Verbose output",
)
args = parser.parse_args()
if args.download_only:
download_dataset(args.dataset)
print("Download complete.")
return
results = run_benchmark(
dataset=args.dataset,
methods=args.method,
refine_modes=args.refine,
max_cases=args.max_cases,
binary=args.binary,
n_threads=args.threads,
verbose=args.verbose,
adaptive_budget=args.adaptive_budget,
ensemble=args.ensemble,
parallel=args.parallel,
)
if results:
print_summary(results)
if args.output:
save_results(results, args.output)
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