README.md

metadata

license: mit

General Description

MultiSetTransformerData is a large dataset designed to train and validate neural Symbolic Regression models. It was designed to solve the Multi-Set Symbolic Skeleton Prediction (MSSP) problems, described in the paper "Univariate Skeleton Prediction in Multivariate Systems Using Transformers". However, it can be used for training generic SR models as well.

This dataset consists of artificially generated univariate symbolic skeletons, from which mathematical expressions are sampled, which are then used to sample data sets. In this repository, a dataset Q1 is presented:

• Q1: Consists of mathematical expressions that use up to 5 unary and binary operators (e.g., $1+1\mathrm{/}(\sin (2x)+3)1\; +\; 1\; /\; (\backslash sin(2x)\; +\; 3)$ uses five operators). It allows up to one nested operator (e.g., $\sin (\exp (x))\backslash sin(\; \backslash exp(x))$ is allowed but $\sin (\exp (x^2))\backslash sin(\; \backslash exp(x^2))$ is not).

Dataset Structure

In the Q1 folder, you will find a training set alongside its corresponding validation set. Then, each folder consists of a collection of HDF5 files, as shown below:

├── Q1 
│   ├── training
│   │   ├── 0.h5
│   │   ├── 1.h5
│   │   ├── ...
│   ├── validation
│   │   ├── 0.h5
│   │   ├── 1.h5
│   │   ├── ...

Each HDF5 file contains 5000 blocks and has the following structure:

{  "block_1": {
        "X": "Support vector, shape (10000, 10)",
        "Y": "Response vector, shape (10000, 10)",
        "tokenized": "Symbolic skeleton expression tokenized using vocabulary, list",
        "exprs": "Symbolic skeleton expression, str",
        "sampled_exprs": "Ten mathematical expressions sampled from a common skeleton"
    },
    "block_2": {
        "X": "Support, shape (10000, 10)",
        "Y": "Response, shape (10000, 10)",
        "tokenized": "Symbolic skeleton expression tokenized using vocabulary, list",
        "exprs": "Symbolic skeleton expression, str",
        "sampled_exprs": "Ten mathematical expressions sampled from a common skeleton"
    },
    ...
}

More specifically, each block corresponds to one univariate symbolic skeleton (i.e., a function without defined constant values); for example, c + c/(c*sin(c*x_1) + c). From this skeleton, 10 random functions are sampled; for example:

• -2.284 + 0.48/(-sin(0.787*x_1) - 1.136)
• 4.462 - 2.545/(3.157*sin(0.422*x_1) - 1.826), ...

Then, for the $ii$-th function (where $i\in [0,1,\mathrm{.}\mathrm{.}\mathrm{.},9]i\; \backslash in\; [0,\; 1,\; ...,\; 9]$), we sample a support vector X[:, i] of 10000 elements whose values are drawn from a uniform distribution $\mathcal{U}(-10,10)\backslash mathcal\{U\}(-10,\; 10)$. The support vector X[:, i] is evaluated on the $ii$-th function to obtain the response vector Y[:, i]. In other words, a block contains input-output data generated from 10 different functions that share the same symbolic skeleton. For instance, the following figure shows 10 sets of data generated from the symbolic skeleton c + c/(c*sin(c*x_1) + c):

Loading Data

Once the data is downloaded, it can be loaded using Python as follows:

imort os
import glob
import h5py

def open_h5(path):
    block = []
    with h5py.File(path, "r") as hf:
        # Iterate through the groups in the HDF5 file (group names are integers)
        for group_name in hf:
            group = hf[group_name]
            X = group["X"][:]
            Y = group["Y"][:]
            # Load 'tokenized' as a list of integers
            tokenized = list(group["tokenized"])
            # Load 'exprs' as a string
            exprs = group["exprs"][()].tobytes().decode("utf-8")
            # Load 'sampled_exprs' as a list of sympy expressions
            sampled_exprs = [expr_str for expr_str in group["sampled_exprs"][:].astype(str)]
            block.append([X, Y, tokenized, exprs, sampled_exprs])
    return block

train_path = 'data/Q1/training'
train_files = glob.glob(os.path.join(self.sampledData_train_path, '*.h5'))
for tfile in train_files:
    # Read block
    block = open_h5(tfile)
    # Do stuff with your data

Vocabulary and Expression Generation

The table below provides the vocabulary used to construct the expressions of this dataset.

We use a method that builds the expression tree recursively in a preorder fashion, which allows us to enforce certain conditions and constraints effectively. That is, we forbid certain combinations of operators and set a maximum limit on the nesting depth of unary operators within each other. For example, we avoid embedding the operator $\text{log}\backslash text\{log\}$ within the operator $\text{exp}\backslash text\{exp\}$, or vice versa, since such composition could lead to direct simplification (e.g., $\text{log}(\text{exp}(x))=x\backslash text\{log\}\backslash left(\; \backslash text\{exp\}\; (x)\; \backslash right)\; =\; x$. We can also avoid combinations of operators that would generate extremely large values (e.g., $\text{exp}(\text{exp}(x))\backslash text\{exp\}\backslash left(\; \backslash text\{exp\}\; (x)\; \backslash right)$ and $\text{sinh}(\text{sinh}(x))\backslash text\{sinh\}\; \backslash left(\; \backslash text\{sinh\}\; (x)\; \backslash right)$). The table below shows the forbidden operators we considered for some specific parent operators.

Citation

Use this Bibtex to cite this repository

@INPROCEEDINGS{MultiSetSR,
author="Morales, Giorgio
and Sheppard, John W.",
editor="Bifet, Albert
and Daniu{\v{s}}is, Povilas
and Davis, Jesse
and Krilavi{\v{c}}ius, Tomas
and Kull, Meelis
and Ntoutsi, Eirini
and Puolam{\"a}ki, Kai
and {\v{Z}}liobait{\.{e}}, Indr{\.{e}}",
title="Univariate Skeleton Prediction in Multivariate Systems Using Transformers",
booktitle="Machine Learning and Knowledge Discovery in Databases. Research Track and Demo Track",
year="2024",
publisher="Springer Nature Switzerland",
address="Cham",
pages="107--125",
isbn="978-3-031-70371-3"
}