Table 4.
Trait2 and model | R2VAL
|
RMSE | Pair-wise comparisons
|
|||||||
---|---|---|---|---|---|---|---|---|---|---|
Mean | Minimum | Maximum | SD | PLS | MPLS | Bayes RR | Bayes A | Bayes B | ||
C10:0 | ||||||||||
PLS | 0.44 | 0.33 | 0.57 | 0.07 | 0.49 | — | 100 | 100 | 100 | 100 |
MPLS | 0.56 | 0.44 | 0.68 | 0.07 | 0.43 | *** | — | 80 | 100 | 100 |
Bayes RR | 0.59 | 0.50 | 0.68 | 0.06 | 0.41 | *** | *** | — | 100 | 96 |
Bayes A | 0.66 | 0.58 | 0.75 | 0.05 | 0.38 | *** | *** | *** | — | 64 |
Bayes B | 0.67 | 0.55 | 0.75 | 0.06 | 0.38 | *** | *** | *** | NS | — |
C14:1 cis-9 | ||||||||||
PLS | 0.30 | 0.20 | 0.41 | 0.06 | 0.28 | — | 88 | 100 | 100 | 100 |
MPLS | 0.33 | 0.18 | 0.44 | 0.06 | 0.27 | *** | — | 48 | 100 | 100 |
Bayes RR | 0.33 | 0.25 | 0.42 | 0.05 | 0.27 | *** | NS | — | 96 | 100 |
Bayes A | 0.38 | 0.28 | 0.48 | 0.06 | 0.26 | *** | *** | *** | — | 96 |
Bayes B | 0.48 | 0.37 | 0.65 | 0.06 | 0.24 | *** | *** | *** | *** | — |
C16:0 | ||||||||||
PLS | 0.41 | 0.25 | 0.60 | 0.08 | 2.82 | — | 100 | 100 | 100 | 100 |
MPLS | 0.51 | 0.34 | 0.70 | 0.08 | 2.55 | *** | — | 84 | 100 | 96 |
Bayes RR | 0.54 | 0.40 | 0.70 | 0.07 | 2.45 | *** | *** | — | 84 | 92 |
Bayes A | 0.58 | 0.46 | 0.72 | 0.07 | 2.33 | *** | *** | *** | — | 72 |
Bayes B | 0.60 | 0.42 | 0.74 | 0.08 | 2.30 | *** | *** | *** | NS | — |
C18:0 | ||||||||||
PLS | 0.26 | 0.09 | 0.38 | 0.08 | 1.65 | — | 80 | 92 | 100 | 100 |
MPLS | 0.30 | 0.16 | 0.43 | 0.08 | 1.61 | *** | — | 64 | 100 | 100 |
Bayes RR | 0.31 | 0.17 | 0.42 | 0.07 | 1.57 | *** | NS | — | 96 | 96 |
Bayes A | 0.45 | 0.24 | 0.59 | 0.08 | 1.40 | *** | *** | *** | — | 76 |
Bayes B | 0.49 | 0.30 | 0.65 | 0.11 | 1.35 | *** | *** | *** | *** | — |
PLS = partial least squares regression; MPLS = modified partial least squares regression, Bayes RR = Bayes ridge regression; R2VAL = coefficient of determination calculated as the square of the correlation between observed and predicted values; Mean, Minimum, Maximum = mean, minimum, and maximum of the R2 of 25 replicates; RMSE = mean of the root mean square errors of 25 replicates; the values above the diagonal indicate the percentage of replicates where the model in the column had a higher prediction R2VAL than the model in the row; the asterisks below the diagonal indicate P-values from paired t-tests comparing the R2VAL of the model in the column and the model in the row:
Significant differences at the 0.001 level; NS indicates no significant difference at the 0.05 level.
C10:0 = decanoic (capric) acid; C14:1 cis-9 = 9-tetradecenoic (myristoleic) acid; C16:0 = hexadecanoic (palmitic) acid; C18:0 = octadecanoic (stearic) acid; each FA is expressed as a percentage of the total FA by weight.