Skip to main content

PyPi version PyPI pyversions Downloads Documentation Status codecov GitHub stars

๐Ÿ“š Introductions

Combinatorial Optimization (CO) is a mathematical optimization area that involves finding the best solution from a large set of discrete possibilities, often under constraints. Widely applied in routing, logistics, hardware design, and biology, CO addresses NP-hard problems critical to computer science and industrial engineering.

ML4CO-Kit aims to provide foundational support for machine learning practices on CO problems. We have designed the ML4CO-Kit into five levels:

Organization
  • Task(Level 1): the smallest processing unit, where each task represents a problem instance. At the task level, it mainly involves the definition of CO problems, evaluation of solutions (including constraint checking), and problem visualization, etc.
  • Generator(Level 2): the generator creates task instances of a specific structure or distribution based on the set parameters.
  • Solver(Level 3): a variety of solvers. Different solvers, based on their scope of application, can solve specific types of task instances and can be combined with optimizers to further improve the solution results.
  • Optimizer(Level 4): to further optimize the initial solution obtained by the solver.
  • Wrapper(Level 5): user-friendly wrappers, used for handling data reading and writing, task storage, as well as parallelized generation and solving.

Additionally, for higher-level ML4CO (see ML4CO-Bench-101) services, we also provide learning base classes (see ml4co_kit/learning) based on the PyTorch-Lightning framework, including BaseEnv, BaseModel, Trainer. The following figure illustrates the relationship between the ML4CO-Kit and ML4CO-Bench-101.

Relation

We are still enriching the library and we welcome any contributions/ideas/suggestions from the community.

โญ Official Documentation: https://ml4co-kit.readthedocs.io/en/latest/

โญ Source Code: https://github.com/Thinklab-SJTU/ML4CO-Kit

๐Ÿš€ Installation

You can install the stable release on PyPI:

$ pip install ml4co-kit
pip

or get the latest version by running:

$ pip install -U https://github.com/Thinklab-SJTU/ML4CO-Kit/archive/master.zip # with --user for user install (no root)

The following packages are required and shall be automatically installed by pip:

Python>=3.9
numpy>=1.24.3
networkx>=2.8.8
tqdm>=4.66.3
cython>=3.0.8
pulp>=2.8.0, 
scipy>=1.10.1
aiohttp>=3.10.11
requests>=2.32.0
matplotlib>=3.7.0
async_timeout>=4.0.3
pyvrp>=0.9.1
gurobipy>=11.0.3
scikit-learn>=1.3.0
ortools>=9.12.4544
huggingface_hub>=0.32.0
setuptools>=75.0.0
PySCIPOpt>=5.6.0
pybind11>=3.0.1
cnfgen>=0.9.5
python-sat
PyYAML>=6.0.3
hydra-core>=1.3.2
chszlablib>=0.5.27

To ensure you have access to all functions, you need to install the environment related to pytorch_lightning. We have provided an installation helper, and you can install it using the following code.

import sys
from packaging import version
from ml4co_kit import EnvInstallHelper


if __name__ == "__main__":
    # Get pytorch version
    python_version = sys.version.split()[0]
    
    # Get pytorch version
    if version.parse(python_version) < version.parse("3.12"):
        pytorch_version = "2.1.0"
    elif version.parse(python_version) < version.parse("3.13"):
        pytorch_version = "2.4.0"
    else:
        pytorch_version = "2.7.0"
    
    # Install pytorch environment
    env_install_helper = EnvInstallHelper(pytorch_version=pytorch_version)
    env_install_helper.install()

โš ๏ธ 2025-10-14: While testing the NVIDIA GeForce RTX 50-series GPUs, we have encountered the following error. To fix this issue, we recommend that you upgrade your driver to version 12.8 or later and download the corresponding PyTorch build from the official PyTorch website.

XXX with CUDA capability sm_120 is not compatible with the current PyTorch installation. 
The current PyTorch install supports CUDA capabilities sm_50 sm_60 sm_70 sm_75 sm_80 sm_86 sm_90.
import os

# download torch==2.8.0+cu128 from pytorch.org
os.system(f"pip install torch==2.8.0+cu128 --index-url https://download.pytorch.org/whl/cu128")

# download torch-X (scatter, sparse, spline-conv, cluster)
html_link = f"https://pytorch-geometric.com/whl/torch-2.8.0+cu128.html"
os.system(f"pip install --no-index torch-scatter -f {html_link}")
os.system(f"pip install --no-index torch-sparse -f {html_link}")
os.system(f"pip install --no-index torch-spline-conv -f {html_link}")
os.system(f"pip install --no-index torch-cluster -f {html_link}")

# wandb
os.system(f"pip install wandb>=0.20.0")

# pytorch-lightning
os.system(f"pip install pytorch-lightning==2.5.3")

# torch_geometric
os.system(f"pip install torch_geometric==2.7.0")

After the environment is installed, run the following command to confirm that the PyTorch build supports sm_120.

>>> import torch
>>> print(torch.cuda.get_arch_list())
['sm_70', 'sm_75', 'sm_80', 'sm_86', 'sm_90', 'sm_100', 'sm_120']

โš ๏ธ 2025-10-21: We find that on macOS, the gurobipy package does not support Python 3.8 or earlier. Therefore, please upgrade your Python to at least 3.9.

โš ๏ธ 2026-03-13: For Python versions 3.9 to 3.11 on macOS, it is necessary to downgrade setuptools (recommended versions: 75.0.0 ~ 80.9.0).

โš ๏ธ 2026-05-28: Starting from version 0.5.3, we will no longer support Python 3.8. Please upgrade your Python version to at least 3.9.

๐Ÿ“ ML4CO-Kit Development status

We will present the development progress of ML4CO-Kit in the above 5 levels.

Graph: MCl & MCut & MIS & MVC; Portfolio: MaxRetPO & MinVarPO & MOPO

โœ”: Supported; ๐Ÿ“†: Planned for future versions (contributions welcomed!).

Task (Level 1)
Task Definition Check Constraint Evaluation Render Special R/O
Routing Tasks
Asymmetric TSP (ATSP) โœ” โœ” โœ” ๐Ÿ“† tsplib
Orienteering Problem (OP) โœ” โœ” โœ” ๐Ÿ“†
Prize Collection TSP (PCTSP) โœ” โœ” โœ” ๐Ÿ“†
Stochastic PCTSP (SPCTSP) โœ” โœ” โœ” ๐Ÿ“†
Traveling Salesman Problem (TSP) โœ” โœ” โœ” โœ” tsplib
Capacitated Vehicle Routing Problem (CVRP) โœ” โœ” โœ” โœ” vrplib
CVRP with Backhauls (CVRPB) โœ” โœ” โœ” ๐Ÿ“†
CVRP with Backhauls and Length Limit (CVRPBL) โœ” โœ” โœ” ๐Ÿ“†
CVRP with Backhauls, Length Limit and TW (CVRPBLTW) โœ” โœ” โœ” ๐Ÿ“†
CVRP with Backhauls and Time Windows (CVRPBTW) โœ” โœ” โœ” ๐Ÿ“†
CVRP with Length Limit (CVRPL) โœ” โœ” โœ” ๐Ÿ“†
CVRP with Length Limit and Time Windows (CVRPLTW) โœ” โœ” โœ” ๐Ÿ“†
CVRP with Time Windows (CVRPTW) โœ” โœ” โœ” ๐Ÿ“†
Graph Tasks
Maximum Clique (MCl) โœ” โœ” โœ” โœ” gpickle, adj_matrix, networkx, csr
Maximum Cut (MCut) โœ” โœ” โœ” โœ” gpickle, adj_matrix, networkx, csr
Maximum Independent Set (MIS) โœ” โœ” โœ” โœ” gpickle, adj_matrix, networkx, csr
Minimum Vertex Cover (MVC) โœ” โœ” โœ” โœ” gpickle, adj_matrix, networkx, csr
QAP Tasks
Graph Matching (GM) โœ” โœ” โœ” ๐Ÿ“†
Graph Edit Distance (GED) โœ” โœ” โœ” ๐Ÿ“†
Koopmans-Beckmann QAP (KQAP) โœ” โœ” โœ” ๐Ÿ“†
SAT Tasks
Satisfiability Prediction (SATP) โœ” โœ” โœ” ๐Ÿ“† cnf
Satisfying Assignment Prediction (SATA) โœ” โœ” โœ” ๐Ÿ“† cnf
Portfolio Tasks
Maximum Return Portfolio Optimization (MaxRetPO) โœ” โœ” โœ” ๐Ÿ“†
Minimum Variance Portfolio Optimization (MinVarPO) โœ” โœ” โœ” ๐Ÿ“†
Multi-Objective Portfolio Optimization (MOPO) โœ” โœ” โœ” ๐Ÿ“†
EDA Tasks
EDA Placement (EDAP) โœ” โœ” โœ” ๐Ÿ“† bookshelf

Generator (Level 2)
Task Distribution Brief Intro. State
Routing Tasks
ATSP Uniform Random distance matrix with triangle inequality โœ”
SAT SAT problem transformed to ATSP โœ”
HCP Hamiltonian Cycle Problem transformed to ATSP โœ”
CVRP Uniform Random coordinates with uniform distribution โœ”
Gaussian Random coordinates with Gaussian distribution โœ”
CVRPB Uniform CVRP with backhauls (uniform) โœ”
Gaussian CVRP with backhauls (Gaussian) โœ”
CVRPBL Uniform CVRPB + route length limit โœ”
Gaussian CVRPB + route length limit (Gaussian) โœ”
CVRPBLTW Uniform CVRPBL + time windows โœ”
Gaussian CVRPBL + time windows (Gaussian) โœ”
CVRPBTW Uniform CVRPB + time windows โœ”
Gaussian CVRPB + time windows (Gaussian) โœ”
CVRPL Uniform CVRP + route length limit โœ”
Gaussian CVRP + route length limit (Gaussian) โœ”
CVRPLTW Uniform CVRPL + time windows โœ”
Gaussian CVRPL + time windows (Gaussian) โœ”
CVRPTW Uniform CVRP + time windows โœ”
Gaussian CVRP + time windows (Gaussian) โœ”
OP Uniform Random prizes with uniform distribution โœ”
Constant All prizes are constant โœ”
Distance Prizes based on distance from depot โœ”
PCTSP Uniform Random prizes with uniform distribution โœ”
SPCTSP Uniform Random prizes with uniform distribution โœ”
TSP Uniform Random coordinates with uniform distribution โœ”
Gaussian Random coordinates with Gaussian distribution โœ”
Cluster Coordinates clustered around random centers โœ”
Graph Tasks
(Graph) ER (structure) Erdos-Renyi random graph โœ”
BA (structure) Barabasi-Albert scale-free graph โœ”
HK (structure) Holme-Kim small-world graph โœ”
WS (structure) Watts-Strogatz small-world graph โœ”
RB (structure) RB-Model graph โœ”
Uniform (weighted) Weights with Uniform distribution โœ”
Gaussian (weighted) Weights with Gaussian distribution โœ”
Poisson (weighted) Weights with Poisson distribution โœ”
Exponential (weighted) Weights with Exponential distribution โœ”
Lognormal (weighted) Weights with Lognormal distribution โœ”
Powerlaw (weighted) Weights with Powerlaw distribution โœ”
Binomial (weighted) Weights with Binomial distribution โœ”
QAP Tasks
GM ISO Isomorphic Graph matching โœ”
GM SUB Subgraph Graph matching โœ”
SAT Tasks
(SAT) PHASE Near satisfiability phase transition โœ”
SR SAT/UNSAT paired generation โœ”
CA Community Attachment generator โœ”
PS Popularity Similarity generator โœ”
K_CLIQUE Reduction-based SAT instance generation โœ”
K_CLIQUE Reduction-based SAT instance generation โœ”
K_CLIQUE Reduction-based SAT instance generation โœ”
Portfolio Tasks
(Portfolio) GBM Geometric Brownian Motion model โœ”
Factor Factor model with k factors and idiosyncratic noise โœ”
VAR(1) Vector Autoregressive model of order 1 โœ”
MVT Multivariate T distribution model โœ”
GRACH GARCH model for volatility clustering โœ”
Jump Merton Jump-Diffusion model โœ”
Regime Regime-Switching model with multiple states โœ”

Solver (Level 3)
Solver Support Task Language Source Ref. / Implementation State
ConcordeSolver TSP C/C++ Concorde PyConcorde โœ”
GAEAXSolver TSP C/C++ GA-EAX GA-EAX โœ”
GNN4COSolver(Beam) MCl Python ML4CO-Kit ML4CO-Kit โœ”
MIS Python ML4CO-Kit ML4CO-Kit โœ”
GNN4COSolver(Greedy) ATSP C/C++ ML4CO-Kit ML4CO-Kit โœ”
CVRP Python ML4CO-Kit ML4CO-Kit โœ”
TSP Cython DIFUSCO DIFUSCO โœ”
MCl Python ML4CO-Kit ML4CO-Kit โœ”
MCut Python ML4CO-Kit ML4CO-Kit โœ”
MIS Python ML4CO-Kit ML4CO-Kit โœ”
MVC Python ML4CO-Kit ML4CO-Kit โœ”
GNN4COSolver(MCTS) TSP Python Att-GCRN ML4CO-Kit โœ”
GpDegreeSolver MCl Python ML4CO-Kit ML4CO-Kit โœ”
MIS Python ML4CO-Kit ML4CO-Kit โœ”
MVC Python ML4CO-Kit ML4CO-Kit โœ”
GurobiSolver ATSP C/C++ Gurobi ML4CO-Kit โœ”
CVRP C/C++ Gurobi ML4CO-Kit โœ”
OP C/C++ Gurobi ML4CO-Kit โœ”
TSP C/C++ Gurobi ML4CO-Kit โœ”
MCl C/C++ Gurobi DIffUCO โœ”
MCut C/C++ Gurobi DIffUCO โœ”
MIS C/C++ Gurobi DIffUCO โœ”
MVC C/C++ Gurobi DIffUCO โœ”
MaxRetPO C/C++ Gurobi ML4CO-Kit โœ”
MinVarPO C/C++ Gurobi ML4CO-Kit โœ”
MOPO C/C++ Gurobi ML4CO-Kit โœ”
HGSSolver CVRP C/C++ HGS-CVRP HGS-CVRP โœ”
ILSSolver PCTSP Python PCTSP PCTSP โœ”
SPCTSP Python Attention Attention โœ”
InsertionSolver TSP Python GLOP GLOP โœ”
ISCOSolver MCl Python ISCO DISCS โœ”
MCut Python ISCO DISCS โœ”
MIS Python ISCO DISCS โœ”
MVC Python ISCO DISCS โœ”
FEMSolver MCut Python FEM ML4CO-Kit โœ”
KaMISSolver MIS Python KaMIS CHSZLabLib โœ”
LcDegreeSolver MCl Python ML4CO-Kit ML4CO-Kit โœ”
MCut Python ML4CO-Kit ML4CO-Kit โœ”
MIS Python ML4CO-Kit ML4CO-Kit โœ”
MVC Python ML4CO-Kit ML4CO-Kit โœ”
LKHSolver TSP C/C++ LKH ML4CO-Kit โœ”
ATSP C/C++ LKH ML4CO-Kit โœ”
CVRP C/C++ LKH ML4CO-Kit โœ”
NeuroLKHSolver TSP Python NeuroLKH ML4CO-Kit โœ”
ORSolver ATSP C/C++ OR-Tools ML4CO-Kit โœ”
OP C/C++ OR-Tools ML4CO-Kit โœ”
PCTSP C/C++ OR-Tools ML4CO-Kit โœ”
TSP C/C++ OR-Tools ML4CO-Kit โœ”
MCl C/C++ OR-Tools ML4CO-Kit โœ”
MIS C/C++ OR-Tools ML4CO-Kit โœ”
MVC C/C++ OR-Tools ML4CO-Kit โœ”
PyGMSolver GM Python pygmtools ML4CO-Kit โœ”
GED Python pygmtools ML4CO-Kit โœ”
KQAP Python pygmtools ML4CO-Kit โœ”
PySATSolver SATP Python PySAT ML4CO-Kit โœ”
SATA Python PySAT ML4CO-Kit โœ”
RLSASolver MCl Python RLSA ML4CO-Kit โœ”
MCut Python RLSA ML4CO-Kit โœ”
MIS Python RLSA ML4CO-Kit โœ”
SCIPSolver MaxRetPO C/C++ PySCIPOpt ML4CO-Kit โœ”
MinVarPO C/C++ PySCIPOpt ML4CO-Kit โœ”
MOPO C/C++ PySCIPOpt ML4CO-Kit โœ”
PyVRPSolver CVRP Python PyVRP ML4CO-Kit โœ”
CVRPB Python PyVRP ML4CO-Kit โœ”
CVRPBL Python PyVRP ML4CO-Kit โœ”
CVRPBLTW Python PyVRP ML4CO-Kit โœ”
CVRPBTW Python PyVRP ML4CO-Kit โœ”
CVRPL Python PyVRP ML4CO-Kit โœ”
CVRPLTW Python PyVRP ML4CO-Kit โœ”
CVRPTW Python PyVRP ML4CO-Kit โœ”
NearestSolver TSP Python ML4CO-Kit ML4CO-Kit โœ”
CVRP Python ML4CO-Kit ML4CO-Kit โœ”
DreamPlaceSolver EDAP Python DREAMPlace ML4CO-Kit โœ”

Optimizer (Level 4)
Optimizer Support Task IMPL Source Ref. / Implementation State
CVRPLSOptimizer CVRP Ctypes HGS-CVRP ML4CO-Kit โœ”
ISCOOptimizer MCl Numpy ISCO DISCS โœ”
MCut Numpy ISCO DISCS โœ”
MIS Numpy ISCO DISCS โœ”
MVC Numpy ISCO DISCS โœ”
MCTSOptimizer TSP Ctypes Att-GCRN ML4CO-Kit โœ”
TwoOptOptimizer ATSP Ctypes ML4CO-Kit ML4CO-Kit โœ”
TSP Torch DIFUSCO ML4CO-Kit โœ”
TSP Pybind11 GenSCO GenSCO โœ”
FastTwoOptOptimizer TSP Pybind11 ML4CO-Kit ML4CO-Kit โœ”
MCMCOptimizer TSP Pybind11 ML4CO-Kit ML4CO-Kit โœ”
CVRP Pybind11 ML4CO-Kit ML4CO-Kit โœ”
MIS Pybind11 ML4CO-Kit ML4CO-Kit โœ”

Wrapper (Level 5)
Wrapper TXT Other R&W
Routing Tasks
ATSPWrapper "[dists] output [sol]" tsplib
CVRPWrapper "depots [depots] points [points] demands [demands] capacity [capacity] output [sol]" vrplib
CVRPBWrapper "depots [depots] points [points] demands [demands] capacity [capacity] output [sol]"
CVRPBLWrapper "depots [depots] points [points] demands [demands] capacity [capacity] max_route_length [max_route_length] output [sol]"
CVRPBLTWWrapper "depots [depots] points [points] demands [demands] capacity [capacity] tw [tw] service [service] max_route_length [max_route_length] output [sol]"
CVRPBTWWrapper "depots [depots] points [points] demands [demands] capacity [capacity] tw [tw] service [service] output [sol]"
CVRPLWrapper "depots [depots] points [points] demands [demands] capacity [capacity] max_route_length [max_route_length] output [sol]"
CVRPLTWWrapper "depots [depots] points [points] demands [demands] capacity [capacity] tw [tw] service [service] max_route_length [max_route_length] output [sol]"
CVRPTWWrapper "depots [depots] points [points] demands [demands] capacity [capacity] tw [tw] service [service] output [sol]"
ORWrapper "depots [depots] points [points] prizes [prizes] max_length [max_length] output [sol]"
PCTSPWrapper "depots [depots] points [points] penalties [penalties] prizes [prizes] required_prize [required_prize] output [sol]"
SPCTSPWrapper "depots [depots] points [points] penalties [penalties] expected_prizes [expected_prizes] actual_prizes [actual_prizes] required_prize [required_prize] output [sol]"
TSPWrapper "[points] output [sol]" tsplib
Graph Tasks
(Graph)Wrapper "[edge_index] label [sol]" gpickle
(Graph)Wrapper [weighted] "[edge_index] weights [weights] label [sol]" gpickle
QAP Tasks
GMWrapper -- pickle
GEDWrapper -- pickle
KQAPWrapper -- pickle
SAT Tasks
SATPWrapper "[vars_num] vars_num [clauses] output [sol]" cnf
SATAWrapper "[vars_num] vars_num [clauses] output [sol]" cnf
Portfolio Tasks
MaxRetPOWrapper "[returns] cov [cov] max_var [max_var] output [sol]"
MinVarPOWrapper "[returns] cov [cov] required_returns [required_returns] output [sol]"
MOPOWrapper "[returns] cov [cov] var_factor [var_factor] output [sol]"

๐Ÿ”Ž How to use ML4CO-Kit

Case-01: How to use ML4CO-Kit to generate a dataset
# We take the TSP as an example

# Import the required classes.
>>> import numpy as np                  # Numpy
>>> from ml4co_kit import TSPWrapper    # The wrapper for TSP, used to manage data and parallel generation.
>>> from ml4co_kit import TSPGenerator  # The generator for TSP, used to generate a single instance.
>>> from ml4co_kit import TSP_TYPE      # The distribution types supported by the generator.
>>> from ml4co_kit import LKHSolver     # We choose LKHSolver to solve TSP instances

# Check which distributions are supported by the TSP types.
>>> for type in TSP_TYPE:
...     print(type)
TSP_TYPE.UNIFORM
TSP_TYPE.GAUSSIAN
TSP_TYPE.CLUSTER

# Set the generator parameters according to the requirements.
>>> tsp_generator = TSPGenerator(
...     distribution_type=TSP_TYPE.GAUSSIAN,   # Generate a TSP instance with a Gaussian distribution
...     precision=np.float32,                  # Floating-point precision: 32-bit
...     nodes_num=50,                          # Number of nodes in TSP instance
...     gaussian_mean_x=0,                     # Mean of Gaussian for x coordinate
...     gaussian_mean_y=0,                     # Mean of Gaussian for y coordinate
...     gaussian_std=1,                        # Standard deviation of Gaussian
... )

# Set the LKH parameters.
>>> tsp_solver = LKHSolver(
...     lkh_scale=1e6,        # Scaling factor to convert floating-point numbers to integers
...     lkh_max_trials=500,   # Maximum number of trials for the LKH algorithm
...     lkh_path="LKH",       # Path to the LKH executable
...     lkh_runs=1,           # Number of runs for the LKH algorithm
...     lkh_seed=1234,        # Random seed for the LKH algorithm
...     lkh_special=False,    # When set to True, disables 2-opt and 3-opt heuristics
... )

# Create the TSP wrapper
>>> tsp_wrapper = TSPWrapper(precision=np.float32)

# Use ``generate_w_to_txt`` to generate a dataset of TSP.
>>> tsp_wrapper.generate_w_to_txt(
...     file_path="tsp_gaussian_16ins.txt",  # Path to the output file where the generated TSP instances will be saved
...     generator=tsp_generator,             # The TSP instance generator to use
...     solver=tsp_solver,                   # The TSP solver to use
...     num_samples=16,                      # Number of TSP instances to generate
...     num_threads=4,                       # Number of CPU threads to use for parallelization; cannot both be non-1 with batch_size
...     batch_size=1,                        # Batch size for parallel processing; cannot both be non-1 with num_threads
...     write_per_iters=1,                   # Number of sub-generation steps after which data will be written to the file
...     write_mode="a",                      # Write mode for the output file ("a" for append)
...     show_time=True,                      # Whether to display the time taken for the generation process
... )
Generating TSP: 100%|โ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆ| 4/4 [00:00<00:00, 12.79it/s]

Case-02: How to use ML4CO-Kit to load problems and solve them
# We take the MIS as an example

# Import the required classes.
>>> import numpy as np                  # Numpy
>>> from ml4co_kit import MISWrapper    # The wrapper for MIS, used to manage data and parallel solving.
>>> from ml4co_kit import KaMISSolver   # We choose KaMISSolver to solve MIS instances

# Set the KaMIS parameters.
>>> mis_solver = KaMISSolver(
...     kamis_time_limit=10.0,          # The maximum solution time for a single problem
...     kamis_weighted_scale=1e5,       # Weight scaling factor, used when nodes have weights.
... )

# Create the MIS wrapper
>>> mis_wrapper = MISWrapper(precision=np.float32)

# Load the problems to be solved.
# You can use the corresponding loading function based on the file type, 
# such as ``from_txt`` for txt file and ``from_pickle`` for pickle file.
>>> mis_wrapper.from_txt(
...     file_path="test_dataset/mis/wrapper/mis_rb-small_uniform-weighted_4ins.txt",
...     ref=True,          # TXT file contains labels. Set ``ref=True`` to set them as reference.
...     overwrite=True,    # Whether to overwrite the data. If not, only update according to the file data.
...     show_time=True     # Whether to display the time taken for the loading process
... )
Loading data from test_dataset/mis/wrapper/mis_rb-small_uniform-weighted_4ins.txt: 4it [00:00, 75.41it/s]

# Use ``solve`` to call the KaMISSolver to perform the solution.
>>> mis_wrapper.solve(
...     solver=mis_solver,                   # The solver to use
...     num_threads=2,                       # Number of CPU threads to use for parallelization; cannot both be non-1 with batch_size
...     batch_size=1,                        # Batch size for parallel processing; cannot both be non-1 with num_threads
...     show_time=True,                      # Whether to display the time taken for the generation process
... )
Solving MIS Using kamis: 100%|โ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆ| 2/2 [00:21<00:00, 10.97s/it]
Using Time: 21.947036743164062

# Use ``evaluate_w_gap`` to obtain the evaluation results.
# Evaluation Results: average solution value, average reference value, gap (%), gap std.
>>> eval_result = mis_wrapper.evaluate_w_gap()
>>> print(eval_result)
(14.827162742614746, 15.18349838256836, 2.5054726600646973, 2.5342845916748047)

Case-03: How to use ML4CO-Kit to visualize the COPs
# We take the CVRP as an example

# Import the required classes.
>>> import numpy as np                  # Numpy
>>> from ml4co_kit import CVRPTask      # CVRP Task. 
>>> from ml4co_kit import CVRPWrapper   # The wrapper for CVRP, used to manage data.

# Case-1: multiple task data are saved in ``txt``, ``pickle``, etc. single task data is saved in pickle.
>>> cvrp_wrapper = CVRPWrapper()
>>> cvrp_wrapper.from_pickle("test_dataset/cvrp/wrapper/cvrp50_uniform_16ins.pkl")
>>> cvrp_task = cvrp_wrapper.task_list[0]
>>> print(cvrp_task)
CVRPTask(2fb389cdafdb4e79a94572f01edf0b95)

# Case-2: single task data is saved in pickle.
>>> cvrp_task = CVRPTask()
>>> cvrp_task.from_pickle("test_dataset/cvrp/task/cvrp50_uniform_task.pkl")
>>> print(cvrp_task)
CVRPTask(2fb389cdafdb4e79a94572f01edf0b95)

# The loaded solution is usually a reference solution. 
# When drawing the image, it is the ``sol`` that is being drawn. 
# Therefore, it is necessary to assign ``ref_sol`` to ``sol``.
>>> cvrp_task.sol = cvrp_task.ref_sol

# Using ``render`` to get the visualization
>>> cvrp_task.render(
...     save_path="./docs/assets/cvrp_solution.png",  # Path to save the rendered image
...     with_sol=True,                                # Whether to draw the solution tour
...     figsize=(10, 10),                             # Size of the image (width and height)
...     node_color="darkblue",                        # Color of the nodes
...     edge_color="darkblue",                        # Color of the edges
...     node_size=50                                  # Size of the nodes
... )
pip

Case-04: A simple ML4CO example
# We take the MCut as an example

# Import the required classes.
>>> import numpy as np                   # Numpy
>>> from ml4co_kit import TASK_TYPE      # The task type.
>>> from ml4co_kit import MCutWrapper    # The wrapper for MCutWrapper, used to manage data.
>>> from ml4co_kit import GNN4COSolver   # GNN4COSolver.
>>> from ml4co_kit import RLSAOptimizer  # Using RLSA to perform local search.
>>> from ml4co_kit.extension.gnn4co import GNN4COModel, GNN4COEnv, GNNEncoder, GNN4COGreedyDecoder

# Set the GNN4COModel parameters. ``weight_path``: Pretrain weight path. 
# If it is not available locally, it will be automatically downloaded from Hugging Face.
>>> gnn4mcut_model = GNN4COModel(
...     env=GNN4COEnv(
...         task_type=TASK_TYPE.MCUT,    # Task type: MCut. 
...         wrapper=MCutWrapper(),       # The wrapper for MCutWrapper, used to manage data.
...         mode="solve",                # Mode: solving mode.
...         sparse_factor=1,             # Sparse factor: Controls the sparsity of the graph.
...         device="cuda"                # Device: 'cuda' or 'cpu'
...     ),
...     encoder=GNNEncoder(
...         task_type=TASK_TYPE.MCUT,    # Task type: MCut.
...         sparse=True,                 # Graph data should set ``sparse`` to True.
...         block_layers=[2,4,4,2]       # Block layers: the number of layers in each block of the encoder.
...     ),
...     decoder=GNN4COGreedyDecoder(sparse_factor=1),
...     weight_path="weights/gnn4co_mcut_ba-large_sparse.pt"   
... )
gnn4co/gnn4co_mcut_ba-large_sparse.pt:โ€‡100%โ€‡โ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆ 19.6M/19.6Mโ€‡[00:03<00:00,โ€‡6.18MB/s]

# Set the RLSAOptimizer parameters.
>>> mcut_optimizer = RLSAOptimizer(
...     rlsa_kth_dim="both",          # Which dimension to consider for the k-th value calculation.
...     rlsa_tau=0.01,                # The temperature parameter in the Simulated Annealing process.
...     rlsa_d=2,                     # Control the step size of each update.
...     rlsa_k=1000,                  # The number of samples used in the optimization process.
...     rlsa_t=1000,                  # The number of iterations in the optimization process.
...     rlsa_device="cuda",           # Device: 'cuda' or 'cpu'.
...     rlsa_seed=1234                # The random seed for reproducibility.
... )

# Set the GNN4COSolver parameters.
>>> mcut_solver_wo_opt = GNN4COSolver(
...     model=gnn4mcut_model,         # GNN4CO model for MCut
...     device="cuda",                # Device: 'cuda' or 'cpu'.
...     optimizer=None                # The optimizer to perform local search.
... )
>>> mcut_solver_w_opt = GNN4COSolver(
...     model=gnn4mcut_model,         # GNN4CO model for MCut
...     device="cuda",                # Device: 'cuda' or 'cpu'.
...     optimizer=mcut_optimizer      # The optimizer to perform local search.
... )

# Create the MCut wrapper
>>> mcut_wrapper = MCutWrapper(precision=np.float32)

# Load the problems to be solved.
# You can use the corresponding loading function based on the file type, 
# such as ``from_txt`` for txt file and ``from_pickle`` for pickle file.
>>> mcut_wrapper.from_txt(
...     file_path="test_dataset/mcut/wrapper/mcut_ba-large_no-weighted_4ins.txt",
...     ref=True,          # TXT file contains labels. Set ``ref=True`` to set them as reference.
...     overwrite=True,    # Whether to overwrite the data. If not, only update according to the file data.
...     show_time=True     # Whether to display the time taken for the loading process
... )
Loading data from test_dataset/mcut/wrapper/mcut_ba-large_no-weighted_4ins.txt: 4it [00:00, 16.35it/s]

# Using ``solve`` to get the solution (without optimizer)
>>> mcut_wrapper.solve(
...     solver=mcut_solver_wo_opt,    # The solver to use
...     num_threads=1,                # Number of CPU threads to use for parallelization; cannot both be non-1 with batch_size
...     batch_size=1,                 # Batch size for parallel processing; cannot both be non-1 with num_threads
...     show_time=True,               # Whether to display the time taken for the generation process
... )
Solving MCut Using greedy: 100%|โ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆ| 4/4 [00:00<00:00, 12.34it/s]
Using Time: 0.3261079788208008

# Use ``evaluate_w_gap`` to obtain the evaluation results.
# Evaluation Results: average solution value, average reference value, gap (%), gap std.
>>> eval_result = mcut_wrapper.evaluate_w_gap()
>>> print(eval_result)
(2647.25, 2726.5, 2.838811523236064, 0.7528157058230817)

# Using ``solve`` to get the solution (with optimizer)
>>> mcut_wrapper.solve(
...     solver=mcut_solver_w_opt,     # The solver to use
...     num_threads=1,                # Number of CPU threads to use for parallelization; cannot both be non-1 with batch_size
...     batch_size=1,                 # Batch size for parallel processing; cannot both be non-1 with num_threads
...     show_time=True,               # Whether to display the time taken for the generation process
... )
Solving MCut Using greedy: 100%|โ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆโ–ˆ| 4/4 [00:02<00:00,  1.46it/s]
Using Time: 2.738525867462158

# Use ``evaluate_w_gap`` to obtain the evaluation results.
# Evaluation Results: average solution value, average reference value, gap (%), gap std.
>>> eval_result = mcut_wrapper.evaluate_w_gap()
>>> print(eval_result)
(2693.0, 2726.5, 1.2373146256952277, 0.29320238806274546)

๐Ÿ“ˆ Our Systematic Benchmark Works

We are systematically building a foundational framework for ML4CO with a collection of resources that complement each other in a cohesive manner.

  • Awesome-ML4CO, a curated collection of literature in the ML4CO field, organized to support researchers in accessing both foundational and recent developments.

  • ML4CO-Kit, a general-purpose toolkit that provides implementations of common algorithms used in ML4CO, along with basic training frameworks, traditional solvers and data generation tools. It aims to simplify the implementation of key techniques and offer a solid base for developing machine learning models for COPs.

  • ML4TSPBench: a benchmark focusing on exploring the TSP for representativeness. It advances a unified modular streamline incorporating existing tens of technologies in both learning and search for transparent ablation, aiming to reassess the role of learning and to discern which parts of existing techniques are genuinely beneficial and which are not. It offers a deep dive into various methodology designs, enabling comparisons and the development of specialized algorithms.

  • ML4CO-Bench-101: a benchmark that categorizes neural combinatorial optimization (NCO) solvers by solving paradigms, model designs, and learning strategies. It evaluates applicability and generalization of different NCO approaches across a broad range of combinatorial optimization problems to uncover universal insights that can be transferred across various domains of ML4CO.

  • PredictiveCO-Benchmark: a benchmark for decision-focused learning (DFL) approaches on predictive combinatorial optimization problems.

โœจ Citation

If you find our code helpful in your research, please cite

@inproceedings{
    ma2025mlcobench,
    title={ML4CO-Bench-101: Benchmark Machine Learning for Classic Combinatorial Problems on Graphs},
    author={Jiale Ma and Wenzheng Pan and Yang Li and Junchi Yan},
    booktitle={The Thirty-ninth Annual Conference on Neural Information Processing Systems Datasets and Benchmarks Track},
    year={2025},
    url={https://openreview.net/forum?id=ye4ntB1Kzi}
}

@inproceedings{li2025unify,
  title={Unify ml4tsp: Drawing methodological principles for tsp and beyond from streamlined design space of learning and search},
  author={Li, Yang and Ma, Jiale and Pan, Wenzheng and Wang, Runzhong and Geng, Haoyu and Yang, Nianzu and Yan, Junchi},
  booktitle={The Thirteenth International Conference on Learning Representations},
  year={2025}
}

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

ml4co_kit-0.5.5.tar.gz (4.3 MB view details)

Uploaded Source

Built Distributions

If you're not sure about the file name format, learn more about wheel file names.

ml4co_kit-0.5.5-cp313-cp313-manylinux2014_x86_64.whl (11.2 MB view details)

Uploaded CPython 3.13

ml4co_kit-0.5.5-cp313-cp313-macosx_26_0_universal2.whl (9.4 MB view details)

Uploaded CPython 3.13macOS 26.0+ universal2 (ARM64, x86-64)

ml4co_kit-0.5.5-cp312-cp312-manylinux2014_x86_64.whl (11.2 MB view details)

Uploaded CPython 3.12

ml4co_kit-0.5.5-cp312-cp312-macosx_26_0_universal2.whl (9.3 MB view details)

Uploaded CPython 3.12macOS 26.0+ universal2 (ARM64, x86-64)

ml4co_kit-0.5.5-cp311-cp311-manylinux2014_x86_64.whl (11.2 MB view details)

Uploaded CPython 3.11

ml4co_kit-0.5.5-cp311-cp311-macosx_26_0_universal2.whl (9.3 MB view details)

Uploaded CPython 3.11macOS 26.0+ universal2 (ARM64, x86-64)

ml4co_kit-0.5.5-cp310-cp310-manylinux2014_x86_64.whl (10.9 MB view details)

Uploaded CPython 3.10

ml4co_kit-0.5.5-cp310-cp310-macosx_26_0_universal2.whl (9.1 MB view details)

Uploaded CPython 3.10macOS 26.0+ universal2 (ARM64, x86-64)

ml4co_kit-0.5.5-cp39-cp39-manylinux2014_x86_64.whl (10.9 MB view details)

Uploaded CPython 3.9

ml4co_kit-0.5.5-cp39-cp39-macosx_26_0_universal2.whl (9.1 MB view details)

Uploaded CPython 3.9macOS 26.0+ universal2 (ARM64, x86-64)

File details

Details for the file ml4co_kit-0.5.5.tar.gz.

File metadata

  • Download URL: ml4co_kit-0.5.5.tar.gz
  • Upload date:
  • Size: 4.3 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/7.0.0 CPython/3.10.20

File hashes

Hashes for ml4co_kit-0.5.5.tar.gz
Algorithm Hash digest
SHA256 059615c921fd7513ac90735e11cf7d8065802e442a4381e89f90b79901da65b2
MD5 9fc24d06dd26e088a5187e06aca4deea
BLAKE2b-256 66b3db910da40b6e6a295a2cfd739d96ec488162d0c9ed28a1cfbd8567d1ad4e

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp313-cp313-manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp313-cp313-manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 86a1db2b20da29169b77f6fb57111e940c1b0cc25199363562e94ecfe9816cf7
MD5 206a4f0c1910503229f21284a5542d79
BLAKE2b-256 75865583a0dba201e076ca1e3e93b47781ef0b4dc4188164a5fe8b732aea433e

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp313-cp313-macosx_26_0_universal2.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp313-cp313-macosx_26_0_universal2.whl
Algorithm Hash digest
SHA256 2a99c65bf9b5fdffe4446cb1889f163839605702225045422ecd7b6b7789c248
MD5 a22331ae9ba645c8aa5d2c48c2356aa4
BLAKE2b-256 c51c61b6bb6d82b79257fd2c2746ef7ea390f3ac1b39f7194fdbf1d115b8024f

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp312-cp312-manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp312-cp312-manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 510090f6e1f2650901891bd94824473678efd9b91c9152f3e3cbd50c663afd2b
MD5 81fe8e0ffb21fbc7a9b37499ad2f11bb
BLAKE2b-256 f33521389abcd9f3f482abc656f7b4cc802f59247d33f75b136101e2c552867f

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp312-cp312-macosx_26_0_universal2.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp312-cp312-macosx_26_0_universal2.whl
Algorithm Hash digest
SHA256 c80078c2a4e157796139b934e608425573a559ed7ce2564f0690b2e552bb3a84
MD5 25328098a84a24882fa123f873cf841e
BLAKE2b-256 a10310173b361f6c25e76208f72ffb61136d662e645a3e64a2961f3216348485

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp311-cp311-manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp311-cp311-manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 2e7ce2feb2f445aadf80ed80ff102cd4f2a5f6ef94b958fcdf6c947f81b53158
MD5 b65dfb1a61b4df83c16dc1b7864f4dd4
BLAKE2b-256 0a5091feb1faa7a1c3afa44e1061c12cef4cc7a8ebdb368b9563158ffd9a05d5

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp311-cp311-macosx_26_0_universal2.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp311-cp311-macosx_26_0_universal2.whl
Algorithm Hash digest
SHA256 169886297329fead408c48580d7c54f2cc666817d46ed4040f78239229c8e1ae
MD5 32ec1cf75ea41c9744273516491ed057
BLAKE2b-256 e8a51e7f1e8009124ba533c10a98057264aaa0532f7fe7d86862c8dc914fd19a

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp310-cp310-manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp310-cp310-manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 b49e6de65f31937616500d8588cad4f409af3c71d1c958771d8533e351132148
MD5 927779e760e65e952918785ea3e586be
BLAKE2b-256 dbad56c1f4bda8543177303f310d627d47abb8d50e1818cc578a4ca8430df0c8

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp310-cp310-macosx_26_0_universal2.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp310-cp310-macosx_26_0_universal2.whl
Algorithm Hash digest
SHA256 21107e158a21ddd09f5bf0e83304c3ba61dc237b8356e43e1e4547160a67e0c5
MD5 824229057e01a4cf1236ed2a50afbb42
BLAKE2b-256 a3c64e40ed10a793a7bc3f24136ddb3dedaca1e487d8abd6cbfc7311342370d8

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp39-cp39-manylinux2014_x86_64.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp39-cp39-manylinux2014_x86_64.whl
Algorithm Hash digest
SHA256 ceaa7ee12fb0aefbe861bb86bf8e472e0d7d92df77552b6b139913419fec3b9a
MD5 601050eac3c80284ab65a3ea0dd0142f
BLAKE2b-256 911dd9f150c8bcfac9ba07079063fb7e7aba25e08ee5799f0a94deeece1415d0

See more details on using hashes here.

File details

Details for the file ml4co_kit-0.5.5-cp39-cp39-macosx_26_0_universal2.whl.

File metadata

File hashes

Hashes for ml4co_kit-0.5.5-cp39-cp39-macosx_26_0_universal2.whl
Algorithm Hash digest
SHA256 da393939979876af87b81a5409a5a3fcde1ee584d7c70e32f9bda146d94b1235
MD5 89ccd61207da6cfd21d4c9a586a07363
BLAKE2b-256 d120cbecef1a653c7758ecff2e3e3a7b3c0075f5a357927c81ac7c72fb733dad

See more details on using hashes here.

Release history Release notifications | RSS feed

This release

0.5.5 This release

11 files

0.5.4

11 files

0.5.3

11 files

0.5.2

12 files

0.5.1

12 files

0.5.0

12 files

0.4.2

12 files

0.4.1

7 files

0.4.0

7 files

0.3.3

5 files

0.3.2

5 files

0.3.1

5 files

0.3.0

5 files

0.2.9

5 files

0.2.8

5 files

0.2.7

5 files

0.2.6

5 files

0.2.5

2 files

0.2.4

2 files

0.2.3

5 files

0.2.2

5 files

0.2.1

5 files

0.2.0

5 files

0.1.2

5 files

0.1.1

5 files

0.1.0

5 files

0.0.9

5 files

0.0.8

5 files

0.0.7

5 files

0.0.6

5 files

0.0.5

5 files

0.0.4

5 files

0.0.3

5 files

0.0.2

5 files

0.0.1

5 files

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page