pytorch-bsf 0.0.1

PyTorch implementation of Bezier simplex fitting

pytorch-bsf

PyTorch implementation of Bezier simplex fitting.

The Bezier simplex is a high-dimensional generalization of the Bezier curve. Mathematically, it is a polynomial map from a simplex to a Euclidean space determined by a set of vectors called the control points. This package provides an algorithm to fit a Bezier simplex to given data points.

See the following papers for technical details.

• Kobayashi, K., Hamada, N., Sannai, A., Tanaka, A., Bannai, K., & Sugiyama, M. (2019). Bézier Simplex Fitting: Describing Pareto Fronts of´ Simplicial Problems with Small Samples in Multi-Objective Optimization. Proceedings of the AAAI Conference on Artificial Intelligence, 33(01), 2304-2313. https://doi.org/10.1609/aaai.v33i01.33012304
• Tanaka, A., Sannai, A., Kobayashi, K., & Hamada, N. (2020). Asymptotic Risk of Bézier Simplex Fitting. Proceedings of the AAAI Conference on Artificial Intelligence, 34(03), 2416-2424. https://doi.org/10.1609/aaai.v34i03.5622

Requirements

Python 3.8, 3.9, 3.10.

Installation-free Execution

Download the latest Miniconda and install it. Then, install MLflow on your conda environment:

conda install mlflow

Run the following command:

mlflow run https://github.com/rafcc/pytorch-bsf \
  -P data=data.tsv \
  -P label=label.tsv \
  -P degree=3

which automatically sets up the environment and runs an experiment:

1. Download the latest pytorch-bsf into a temporary directory.
2. Create a new conda environment and install dependencies in it.
3. Run an experiment on the temporary directory and environment.

Parameter	Type	Default	Description
data	path	required	The data file. The file should contain a numerical matrix in the TSV format: each row represents a record that consists of features separated by Tabs or spaces.
label	path	required	The label file. The file should contain a numerical matrix in the TSV format: each row represents a record that consists of outcomes separated by Tabs or spaces.
degree	int (x >= 1)	required	The degree of the Bezier simplex.
header	int (x >= 0)	0	The number of header lines in data/label files.
delimiter	str	" "	The delimiter of values in data/label files.
normalize	"max", "std", "quantile"	None	The data normalization: max scales each feature as the minimum is 0 and the maximum is 1, suitable for uniformly distributed data; std does as the mean is 0 and the standard deviation is 1, suitable for nonuniformly distributed data; quantile does as 5%-quantile is 0 and 95%-quantile is 1, suitable for data containing outliers; None does not perform any scaling, suitable for pre-normalized data.
split_ratio	float (0.0 < x < 1.0)	0.5	The ratio of training data against validation data.
batch_size	int (x >= 0)	0	The size of minibatch. The default uses all records in a single batch.
max_epochs	int (x >= 1)	1000	The number of epochs to stop training.
accelerator	"auto", "cpu", "gpu", etc.	"auto"	Accelerator to use. See PyTorch Lightning documentation.
devices	int (x >= -1)	None	The number of accelerators to use. By default, use all available devices. See PyTorch Lightning documentation.
num_nodes	int (x >= 1)	1	The number of compute nodes to use. See PyTorch Lightning documentation.
strategy	"dp", "ddp", "ddp_spawn", etc.	None	Distributed strategy. See PyTorch Lightning documentation.
loglevel	int (0 <= x <= 2)	2	What objects to be logged. 0: nothing; 1: metrics; 2: metrics and models.

Installation

pip install pytorch-bsf

Fitting via CLI

This package provides a command line interface to train a Bezier simplex with a dataset file.

Execute the torch_bsf module:

python -m torch_bsf \
  --data=data.tsv \
  --label=label.tsv \
  --degree=3

Fitting via Script

Train a model by fit(), and call the model to predict.

import torch
import torch_bsf

# Prepare training data
ts = torch.tensor(  # parameters on a simplex
    [
        [3/3, 0/3, 0/3],
        [2/3, 1/3, 0/3],
        [2/3, 0/3, 1/3],
        [1/3, 2/3, 0/3],
        [1/3, 1/3, 1/3],
        [1/3, 0/3, 2/3],
        [0/3, 3/3, 0/3],
        [0/3, 2/3, 1/3],
        [0/3, 1/3, 2/3],
        [0/3, 0/3, 3/3],
    ]
)
xs = 1 - ts * ts  # values corresponding to the parameters

# Train a model
bs = torch_bsf.fit(params=ts, values=xs, degree=3)

# Predict by the trained model
t = [[0.2, 0.3, 0.5]]
x = bs(t)
print(f"{t} -> {x}")

Documents

See documents for more details. https://rafcc.github.io/pytorch-bsf/

Author

RIKEN AIP-FUJITSU Collaboration Center (RAFCC)

License

MIT