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+4,rfp_rasp,saas_bo,5,34b7e9f7-58b4-42ee-96a2-1758fcd5fa5f,309 diff --git a/pyproject.toml b/pyproject.toml index 2fee7e7..b71fc6a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -14,6 +14,7 @@ dependencies = [ "click", "lightning", "fair-esm", + "jinja2", "poli-core@git+https://github.com/MachineLearningLifeScience/poli.git", "poli-baselines@git+https://github.com/MachineLearningLifeScience/poli-baselines.git" ] diff --git a/run.py b/run.py index beefdcf..ef3c974 100644 --- a/run.py +++ b/run.py @@ -13,6 +13,7 @@ from poli.core.exceptions import BudgetExhaustedException from poli.core.util.seeding import seed_python_numpy_and_torch +from hdbo_benchmark.utils.constants import WANDB_PROJECT from hdbo_benchmark.utils.experiments.load_generative_models import ( load_generative_model_and_bounds, ) @@ -56,7 +57,7 @@ def _main( not force_run and wandb_mode == "online" and experiment_has_already_run( - experiment_name="hdbo_benchmark_results", + experiment_name=WANDB_PROJECT, solver_name=solver_name, function_name=function_name, n_dimensions=n_dimensions, @@ -78,7 +79,7 @@ def _main( # Setting the observer configuration observer_config = ObserverConfig( - experiment_name="hdbo_benchmark_results", + experiment_name=WANDB_PROJECT, function_name=function_name, solver_name=solver_name, n_dimensions=n_dimensions, diff --git a/src/hdbo_benchmark/results/download_tables.py b/src/hdbo_benchmark/results/download_tables.py index 7f0f995..72e0edb 100644 --- a/src/hdbo_benchmark/results/download_tables.py +++ b/src/hdbo_benchmark/results/download_tables.py @@ -30,6 +30,7 @@ import wandb from hdbo_benchmark.utils.constants import ROOT_DIR from hdbo_benchmark.utils.results.download_from_wandb import ( + get_all_runs_for_experiment, get_all_runs_for_function_names, ) @@ -85,10 +86,33 @@ def create_base_table_for_ehrlich( return df +def create_base_table_for_entire_benchmark( + save_cache: bool = True, + use_cache: bool = False, + tags: list[str] | None = None, +): + CACHE_PATH = ROOT_DIR / "data" / "results_cache" + CACHE_PATH.mkdir(exist_ok=True, parents=True) + tags_str = "-".join(tags) if tags is not None else "all" + CACHE_FILE = CACHE_PATH / f"base_table_entire_benchmark-tags-{tags_str}.csv" + + if use_cache and CACHE_FILE.exists(): + df = pd.read_csv(CACHE_FILE) + return df + + all_runs = get_all_runs_for_experiment(experiment_name="hdbo-benchmark-results-v2") + all_dfs = convert_data_to_dataframes(all_runs) + + df = pd.concat(all_dfs) + if save_cache: + df.to_csv(CACHE_FILE, index=False) + + return df + + if __name__ == "__main__": - df = create_base_table_for_ehrlich( + create_base_table_for_entire_benchmark( save_cache=True, - use_cache=True, + use_cache=False, tags=None, ) - print(df) diff --git a/src/hdbo_benchmark/results/other_results/comparison_between_experimental_setups.py b/src/hdbo_benchmark/results/other_results/comparison_between_experimental_setups.py index 07bb3e8..3e8b8ca 100644 --- a/src/hdbo_benchmark/results/other_results/comparison_between_experimental_setups.py +++ b/src/hdbo_benchmark/results/other_results/comparison_between_experimental_setups.py @@ -9,7 +9,7 @@ matplotlib.rcParams.update({"text.usetex": True}) initialization = { - r"Hvarfner's \texttt{VanillaBO}": [33, 40, 59, 89, 240], + r"Hvarfner's": [33, 40, 59, 89, 240], r"\texttt{RandomLineBO}": [], r"\texttt{SAASBO}": [10, 20], r"\texttt{Turbo}": [50, 100, 1000], @@ -23,7 +23,7 @@ } evaluation_budget = { - r"Hvarfner's \texttt{VanillaBO}": [100, 200, 500, 1000], + r"Hvarfner's": [100, 200, 500, 1000], r"\texttt{RandomLineBO}": [1000], r"\texttt{BAxUS}": [100, 500, 1000], r"\texttt{SAASBO}": [50, 100, 400], @@ -37,7 +37,7 @@ } independent_replications = { - r"Hvarfner's \texttt{VanillaBO}": [10, 20], + r"Hvarfner's": [10, 20], r"\texttt{RandomLineBO}": [100], r"\texttt{BAxUS}": [20], r"\texttt{SAASBO}": [30], diff --git a/src/hdbo_benchmark/results/print_tables_for_website_and_paper.py b/src/hdbo_benchmark/results/print_tables_for_website_and_paper.py index 5aae584..da2a37c 100644 --- a/src/hdbo_benchmark/results/print_tables_for_website_and_paper.py +++ b/src/hdbo_benchmark/results/print_tables_for_website_and_paper.py @@ -3,11 +3,14 @@ """ import json - +from typing import Literal import numpy as np import pandas as pd -from hdbo_benchmark.results.download_tables import create_base_table_for_ehrlich +from hdbo_benchmark.results.download_tables import ( + create_base_table_for_ehrlich, + create_base_table_for_entire_benchmark, +) from hdbo_benchmark.utils.constants import ROOT_DIR pd.set_option("display.max_colwidth", None) @@ -54,18 +57,39 @@ def compute_pretty_names_for_functions(): } -def select_runs(df: pd.DataFrame, function_name: str, solver_name: str) -> pd.DataFrame: +def select_runs( + df: pd.DataFrame, + function_name: str, + solver_name: str, + n_dimensions: Literal[128, 2, None] = None, +) -> tuple[pd.DataFrame, pd.DataFrame]: sliced_df = df[ (df["function_name"] == function_name) & (df["solver_name"] == solver_name) ] + if n_dimensions is not None: + sliced_df = sliced_df[sliced_df["n_dimensions"] == n_dimensions] sliced_df = sliced_df[sliced_df["seed"].isin([1, 2, 3, 4, 5])] max_iter = 1299 if function_name == "ehrlich_holo_large" else 309 sliced_df = sliced_df[sliced_df["_step"] <= max_iter] + # # Saving the longest runs per seed per problem + # longest_runs_per_problem_per_seed: dict[str, list[int]] = {} + # for function_name in sliced_df["function_name"].unique(): + # longest_runs_per_problem_per_seed[function_name] = [] + # for seed_ in range(1, 6): + # sliced_df_of_seed = sliced_df[sliced_df["seed"] == seed_] + # longest_run = ( + # sliced_df_of_seed.groupby("experiment_id")["_step"].max().nlargest(1) + # ) + # longest_runs_per_problem_per_seed[function_name].append( + # longest_run.index[0] + # ) + # If the number of experiments is greater than 5, we need to select the "longest" 5, # i.e. the ones in which the number of iterations is the greatest (for each seed) - if len(sliced_df["experiment_id"].unique()) > 5: + rows_for_summary = [] + if len(sliced_df["experiment_id"].unique()) >= 5: slices_per_seed = [] for seed_ in range(1, 6): assert seed_ in sliced_df["seed"].unique() @@ -76,6 +100,15 @@ def select_runs(df: pd.DataFrame, function_name: str, solver_name: str) -> pd.Da print( f"Largest experiment id for {solver_name} in {function_name} (seed {seed_}): {experiment_id_of_longest_runs.index[0]} ({experiment_id_of_longest_runs.values[0]})" ) + rows_for_summary.append( + { + "function_name": function_name, + "solver_name": solver_name, + "seed": seed_, + "experiment_id": experiment_id_of_longest_runs.index[0], + "max_steps": experiment_id_of_longest_runs.values[0], + } + ) slices_per_seed.append( sliced_df_of_seed[ sliced_df_of_seed["experiment_id"] @@ -89,8 +122,12 @@ def select_runs(df: pd.DataFrame, function_name: str, solver_name: str) -> pd.Da assert len(sliced_df["seed"].unique()) == 5 for i in range(1, 6): assert i in sliced_df["seed"].unique() + else: + print( + f"Something's fishy with {function_name} and {solver_name}. Seeds: {sliced_df['seed'].unique()}" + ) - return sliced_df + return sliced_df, pd.DataFrame(rows_for_summary) def summary_per_function( @@ -98,14 +135,19 @@ def summary_per_function( normalized_per_row: bool = True, use_tex: bool = True, normalize_with_max_value: float | None = None, -) -> tuple[pd.DataFrame, pd.DataFrame]: + n_dimensions: Literal[128, 2, None] = None, +) -> tuple[pd.DataFrame, pd.DataFrame, list[dict[str, str]], pd.DataFrame]: solver_name_but_pretty = compute_pretty_names_for_solvers(use_tex=use_tex) rows = [] missing_experiments = [] + run_lengths = [] for function_name in df["function_name"].unique(): for solver_name in df["solver_name"].unique(): - slice_df = select_runs(df, function_name, solver_name) + slice_df, summary_of_run_lengths = select_runs( + df, function_name, solver_name + ) + run_lengths.append(summary_of_run_lengths) if ( len(slice_df["seed"].unique()) != 5 and solver_name in solver_name_but_pretty.keys() @@ -155,7 +197,7 @@ def summary_per_function( continue summary_avg.loc[i] = (row - lowest_value) / (best_value - lowest_value) - return summary_avg, summary_std, missing_experiments + return summary_avg, summary_std, missing_experiments, pd.concat(run_lengths) def print_table_as_tex( @@ -164,26 +206,45 @@ def print_table_as_tex( transpose: bool = False, use_tex: bool = True, include_color: bool = True, + n_dimensions: Literal[128, 2, None] = None, ): solver_name_but_pretty = compute_pretty_names_for_solvers(use_tex=use_tex) problem_name_but_pretty = compute_pretty_names_for_functions() index_name = "Solver" + r"\textbackslash " + "Oracle" if transpose else "Oracle" - summary_avg, summary_std, missing_experiments = summary_per_function( - df, normalized_per_row=normalized + summary_avg, summary_std, missing_experiments, run_lengths = summary_per_function( + df, + normalized_per_row=normalized, + n_dimensions=n_dimensions, ) - summary_avg_normalized, _, _ = summary_per_function( - df, normalized_per_row=True, normalize_with_max_value=1.0 + summary_avg_normalized, _, _, _ = summary_per_function( + df, + normalized_per_row=True, + normalize_with_max_value=1.0, + n_dimensions=n_dimensions, ) final_table_rows: list[dict[str, str]] = [] - for function_name, pretty_function_name in problem_name_but_pretty.items(): + for function_name in summary_avg.index: + pretty_function_name = problem_name_but_pretty.get(function_name, function_name) row = { index_name: pretty_function_name, } for solver_name, pretty_solver_name in solver_name_but_pretty.items(): + run_lengths_for_solver = run_lengths[ + (run_lengths["function_name"] == function_name) + & (run_lengths["solver_name"] == solver_name) + ] if solver_name not in summary_avg.columns: row[pretty_solver_name] = r"\alert{[TBD]}" continue + if any(run_lengths_for_solver["max_steps"] < 20): + print( + f"Some runs for {pretty_solver_name} in {pretty_function_name}" + " have less than 20 steps." + " Will consider them as TBD for now." + ) + row[pretty_solver_name] = r"\alert{[TBD]}" + continue average = summary_avg.loc[function_name, solver_name] std = summary_std.loc[function_name, solver_name] @@ -266,21 +327,50 @@ def print_table_as_tex( if transpose: final_table = final_table.T - final_table.to_csv(ROOT_DIR / "data" / "results_cache" / "table_ehrlich.csv") + final_table.to_csv( + ROOT_DIR / "data" / "results_cache" / f"table_benchmark_{n_dimensions}.csv" + ) latex_table = final_table.to_latex(escape=False) latex_table = r"\resizebox{\textwidth}{!}{" + latex_table + "}" print(latex_table) - with open(ROOT_DIR / "data" / "results_cache" / "table_ehrlich.tex", "w") as f: + with open( + ROOT_DIR / "data" / "results_cache" / f"table_benchmark_{n_dimensions}.tex", + "w", + ) as f: f.write(latex_table) with open( - ROOT_DIR / "data" / "results_cache" / "missing_experiments_ehrlich.json", "w" + ROOT_DIR + / "data" + / "results_cache" + / f"missing_experiments_{n_dimensions}.json", + "w", ) as f: json.dump(missing_experiments, f) + run_lengths.to_csv( + ROOT_DIR / "data" / "results_cache" / f"run_lengths_{n_dimensions}.csv" + ) + + +def print_table_for_website( + use_tex: bool = True, + include_color: bool = True, + n_dimensions: Literal[128, 2] = 128, +): + df = create_base_table_for_entire_benchmark(save_cache=True, use_cache=True) + + print_table_as_tex( + df, + transpose=False, + use_tex=use_tex, + include_color=include_color, + n_dimensions=n_dimensions, + ) + def print_table_for_ehrlich(use_tex: bool = True, include_color: bool = True): df = create_base_table_for_ehrlich(save_cache=True, use_cache=True) @@ -294,5 +384,5 @@ def print_table_for_ehrlich(use_tex: bool = True, include_color: bool = True): if __name__ == "__main__": - print_table_for_ehrlich(use_tex=True, include_color=True) - print_table_for_ehrlich(use_tex=False, include_color=False) + print_table_for_website(use_tex=True, include_color=False, n_dimensions=128) + print_table_for_website(use_tex=True, include_color=False, n_dimensions=2) diff --git a/src/hdbo_benchmark/utils/constants.py b/src/hdbo_benchmark/utils/constants.py index 5200eb3..65b4767 100644 --- a/src/hdbo_benchmark/utils/constants.py +++ b/src/hdbo_benchmark/utils/constants.py @@ -14,7 +14,7 @@ ROOT_DIR = Path(__file__).parent.parent.parent.parent.resolve() MODELS_DIR = ROOT_DIR / "data" / "trained_models" -WANDB_PROJECT = "hdbo-embeddings-benchmark" +WANDB_PROJECT = "hdbo-benchmark-results-v2" WANDB_ENTITY = "hdbo-benchmark" PENALIZE_UNFEASIBLE_WITH = -100.0 diff --git a/src/hdbo_benchmark/utils/experiments/load_problems.py b/src/hdbo_benchmark/utils/experiments/load_problems.py index 17ba337..c63cb2c 100644 --- a/src/hdbo_benchmark/utils/experiments/load_problems.py +++ b/src/hdbo_benchmark/utils/experiments/load_problems.py @@ -115,6 +115,11 @@ def _load_ehrlich_holo(size: Literal["tiny", "small", "large"]) -> Problem: n_motifs = 2 motif_length = 5 n_supervised_points = 10 + case "medium": + sequence_length = 32 + n_motifs = 3 + motif_length = 8 + n_supervised_points = 50 case "large": sequence_length = 64 n_motifs = 4 @@ -159,6 +164,8 @@ def _load_problem(function_name: str) -> Problem: return _load_ehrlich_holo(size="tiny") case "ehrlich_holo_small": return _load_ehrlich_holo(size="small") + case "ehrlich_holo_medium": + return _load_ehrlich_holo(size="medium") case "ehrlich_holo_large": return _load_ehrlich_holo(size="large") case "pest_control_equivalent": diff --git a/src/hdbo_benchmark/utils/slurm/__init__.py b/src/hdbo_benchmark/utils/slurm/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/src/hdbo_benchmark/utils/slurm/batch_template.sht b/src/hdbo_benchmark/utils/slurm/batch_template.sht new file mode 100644 index 0000000..04c4682 --- /dev/null +++ b/src/hdbo_benchmark/utils/slurm/batch_template.sht @@ -0,0 +1,16 @@ +#!/bin/bash +#SBATCH --job-name={{ job_name }} +#SBATCH --output={{ output_path }}/%j.log +#SBATCH --error={{ error_path }}/%j.err +#SBATCH -p gpu {{ gpu_resources }} +#SBATCH --array=1-{{ line_count }}%{{ parallel_count }} +#SBATCH --cpus-per-task={{ cpus_per_task }} +#SBATCH --mem={{ mem }} +#SBATCH --time={{ time }} + +# Get the command from the corresponding line in the file +command=$(sed -n "${SLURM_ARRAY_TASK_ID}p" {{ commands_file }}) + +# Execute the command +echo "Running command: $command" +eval $command \ No newline at end of file diff --git a/src/hdbo_benchmark/utils/slurm/compile_from_missing_experiments.py b/src/hdbo_benchmark/utils/slurm/compile_from_missing_experiments.py new file mode 100644 index 0000000..69d39e6 --- /dev/null +++ b/src/hdbo_benchmark/utils/slurm/compile_from_missing_experiments.py @@ -0,0 +1,88 @@ +import json +from datetime import datetime +import pandas as pd +from typing import Literal +from hdbo_benchmark.utils.constants import ROOT_DIR +from hdbo_benchmark.utils.slurm.create_batch_file import ( + write_batch_script_for_commands, +) + +SOLVER_TO_CONDA_ENV_NAME = { + "pr": "hdbo_pr", + "vanilla_bo_hvarfner": "hdbo_ax", + "saas_bo": "hdbo_ax", + "turbo": "hdbo_benchmark", +} + + +def load_run_lengths(n_dimensions: Literal[128, 2]) -> pd.DataFrame: + return pd.read_csv( + ROOT_DIR / "data" / "run_lengths" / f"run_lengths_{n_dimensions}.csv" + ) + + +def compute_experiments_to_run( + n_dimensions: Literal[128, 2], +) -> list[dict[str, list[int]]]: + ITERATIONS_THRESHOLD = 20 + + run_lengths = load_run_lengths(n_dimensions) + + experiments_to_run = [] + for experiment in run_lengths.itertuples(): + if experiment.max_steps <= ITERATIONS_THRESHOLD: + experiments_to_run.append( + { + "function_name": experiment.function_name, + "solver_name": experiment.solver_name, + "max_steps": experiment.max_steps, + "seed": experiment.seed, + "n_dimensions": n_dimensions, + } + ) + + return experiments_to_run + + +def save_experiments_to_run(experiments_to_run: list[dict[str, list[int]]]): + with open( + ROOT_DIR / "data" / "results_cache" / "incomplete_experiments.json", "w" + ) as f: + json.dump(experiments_to_run, f) + + +def from_incomplete_experiments_to_slurm_script( + incomplete_experiments: list[dict[str, list[int]]], + n_dimensions: Literal[128, 2], + *, + wandb_mode: str = "online", + tag: str = f"incomplete-experiments-{datetime.now().strftime('%Y-%m-%d-%H-%M-%S')}", +): + commands = [] + for experiment in incomplete_experiments: + max_iter = 300 + commands.append( + f"conda run -n {SOLVER_TO_CONDA_ENV_NAME[experiment['solver_name']]} python run.py --function-name {experiment['function_name']} --solver-name {experiment['solver_name']} --n-dimensions {experiment['n_dimensions']} --seed {experiment['seed']} --max-iter {max_iter} --strict-on-hash --force-run --wandb-mode {wandb_mode} --tag {tag}" + ) + + write_batch_script_for_commands( + commands, + job_name=f"incomplete-experiments-{n_dimensions}-{datetime.now().strftime('%Y-%m-%d-%H-%M-%S')}", + gpu_resources="", + slurm_script_output_path=ROOT_DIR + / f"incomplete-experiments-{n_dimensions}.local.sh", + instruction_file_output_path=ROOT_DIR + / f"incomplete-experiments-instructions-{n_dimensions}.local.sh", + ) + + +if __name__ == "__main__": + experiments_to_run = compute_experiments_to_run(n_dimensions=128) + save_experiments_to_run(experiments_to_run) + print(len(experiments_to_run)) + from_incomplete_experiments_to_slurm_script(experiments_to_run, n_dimensions=128) + + experiments_to_run = compute_experiments_to_run(n_dimensions=2) + save_experiments_to_run(experiments_to_run) + print(len(experiments_to_run)) + from_incomplete_experiments_to_slurm_script(experiments_to_run, n_dimensions=2) diff --git a/src/hdbo_benchmark/utils/slurm/create_batch_file.py b/src/hdbo_benchmark/utils/slurm/create_batch_file.py new file mode 100644 index 0000000..6597b20 --- /dev/null +++ b/src/hdbo_benchmark/utils/slurm/create_batch_file.py @@ -0,0 +1,75 @@ +import os +import stat +from pathlib import Path + +from jinja2 import Template + +from hdbo_benchmark.utils.constants import ROOT_DIR, WANDB_PROJECT +from hdbo_benchmark.utils.slurm import __file__ as SLURM_UTILS_PATH + + +def read_template(): + SLURM_UTILS_DIR = Path(SLURM_UTILS_PATH).parent + with open(SLURM_UTILS_DIR / "batch_template.sht", "r") as f: + return f.read() + + +def write_batch_script_for_commands( + commands: list[str], + *, + job_name: str = "hdbo_benchmark", + output_dir: str = f"slurm_logs/{WANDB_PROJECT}", + error_dir: str = f"slurm_logs/{WANDB_PROJECT}", + gpu_resources: str = "--gres=gpu:titanx:1", + cpus_per_task: int = 3, + mem: str = "16G", + time: str = "23:59:59", + parallel_count: int = 1, + slurm_script_output_path: Path | str = ROOT_DIR / "batch_script.local.sh", + instruction_file_output_path: Path | str = ROOT_DIR / "lines_to_run.local.sh", +): + template_string = read_template() + + # Create a Jinja2 Template object + template = Template(template_string) + + # Computing the linecount + line_count = len(commands) + + # Writing the instruction file + with open(instruction_file_output_path, "w") as fp_instruction: + fp_instruction.writelines( + [ + command + "\n" if not command.endswith("\n") else command + for command in commands + ] + ) + + # Making sure the output and error dirs exist + Path(output_dir).mkdir(parents=True, exist_ok=True) + Path(error_dir).mkdir(parents=True, exist_ok=True) + + # Define the values for the placeholders + context = { + "job_name": job_name, + "output_path": output_dir, + "error_path": error_dir, + "gpu_resources": gpu_resources, + "line_count": line_count, + "parallel_count": parallel_count, + "commands_file": instruction_file_output_path, + "cpus_per_task": cpus_per_task, + "mem": mem, + "time": time, + } + + # Render the template with the context + rendered_script = template.render(context) + + # Save the rendered script to a file + with open(slurm_script_output_path, "w") as fp_slurm_script: + fp_slurm_script.write(rendered_script) + os.chmod( + slurm_script_output_path, + os.stat(slurm_script_output_path).st_mode | stat.S_IEXEC, + )