Table 2 Final Pareto optimal pipelines from an example run of the XOR dataset (also depicted in Fig. 3A). Pipelines in bold correspond to pipelines with arrows in Fig. 3A which are optimized in both test R² and DS (Pareto efficient). HP = Hyperparameter. Random Forest hyperparameters = bootstrap (T/F), max features, minimum samples per leaf, minimum samples per split. Decision Tree hyperparameters = max depth, minimum samples per leaf, minimum samples per split

Heterosis

-

-

-

-

RF (F, 0.2, 3, 12)

0.108

1.37

Heterosis

GF (0.1)

-

-

-

RF (T, 0.25, 3, 11)

0.107

1.45

Heterosis

Overdominance

Heterosis

Recessive

Recessive

RF (T, 0.25, 3, 11)

0.106

1.45

Heterosis

-

-

-

-

RF (T, 0.2, 3, 12)

0.106

1.52

Heterosis

Heterosis

-

-

-

RF (T, 0.25, 1, 20)

0.103

1.63

Heterosis

Heterosis

Underdominance

-

-

RF (T, 0.25, 3, 20)

0.102

1.64

Heterosis

-

-

-

-

RF (T, 0.4, 11, 5)

0.098

1.65

Heterosis

-

-

-

-

RF (T, 0.65, 14, 20)

0.097

1.68

Overdominance

Dominant

-

-

-

RF (T, 0.2, 8, 12)

0.096

1.73

Heterosis

Underdominance

-

-

-

RF (T, 1.0, 19, 20)

0.095

1.76

Heterosis

-

-

-

-

RF (T, 0.75, 19, 17)

0.095

1.78

Heterosis

-

-

-

-

RF (T, 0.35, 14, 20)

0.093

1.80

Heterosis

Underdominance

-

-

-

RF (T, 0.65, 19, 20)

0.092

1.80

Overdominance

Dominant

Heterosis

Overdominance

-

RF (T, 0.6, 19, 12)

0.091

1.82

Heterosis

Heterosis

-

-

-

RF (T, 0.25, 14, 20)

0.090

1.89

Heterosis

Heterosis

-

-

-

RF (T, 0.25, 16, 20)

0.088

1.95

Heterosis

Heterosis

-

-

-

RF (T, 0.25, 17, 20)

0.088

1.97

Heterosis

Heterosis

-

-

-

RF (T, 0.25, 19, 11)

0.085

2.01

Heterosis

Heterosis

VT (0.0)

-

-

RF (T, 0.2, 18, 12)

0.082

2.09

Heterosis

Underdominance

-

-

-

RF (T, 0.15, 19, 20)

0.074

2.24

Overdominance

Dominant

-

-

-

RF (T, 0.1, 16, 17)

0.066

2.24

Overdominance

Dominant

Overdominance

Dominant

GF (0.35)

RF (T, 0.1, 16, 12)

0.065

2.30

Overdominance

Dominant

Overdominance

GF (0.35)

-

RF (T, 0.1, 19, 17)

0.062

2.40

Heterosis

-

-

-

-

RF (T, 0.05, 19, 20)

0.058

2.42

Overdominance

Dominant

Heterosis

-

-

RF (T, 0.1, 19, 17)

0.057

2.43

SP (65)

VT (0.3)

SP (10)

Heterosis

-

DT (3, 9, 15)

0.055

3.91

SP (55)

VT (0.3)

SP (10)

Heterosis

-

DT (4, 1, 14)

0.051

4.68

-

-

-

-

-

DT (2, 5, 8)

0.027

4.73

SP (55)

VT (0.15)

VT (0.3)

SP (65)

Heterosis

LR

0.017

7.21