You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
The DataScaler docs say (from mala/datahandling/data_scaler.py)
Parameters
----------
typestring : string
Specifies how scaling should be performed.
Options:
- "None": No normalization is applied.
- "standard": Standardization (Scale to mean 0,
standard deviation 1)
- "normal": Min-Max scaling (Scale to be in range 0...1)
- "feature-wise-standard": Row Standardization (Scale to mean 0,
standard deviation 1)
- "feature-wise-normal": Row Min-Max scaling (Scale to be in range
0...1)
The "Row" parts of feature-wise-* suggest that inputs $X$ (e.g. bispectrum descriptors) and outputs $Y$ (LDOS) have shape (n_features, n_samples), while the data in https://github.com/mala-project/test-data has (18, 18, 27, 94) ($X$) and (18, 18, 27, 11) ($Y$) and is, in test/scaling_test.py, reshaped to (18*18*27, n_features). Further, the DataScaler code does torch.mean(unscaled, 0, ...), so operates on columns (features, axis 0).
It should be clearly stated that the "normal" and "standard" modes operate on the whole array, rather than along the opposite axis of the one that the feature-wise- modes use, which users may assume.
The
DataScaler
docs say (frommala/datahandling/data_scaler.py
)The "Row" parts of$X$ (e.g. bispectrum descriptors) and outputs $Y$ (LDOS) have shape $X$ ) and $Y$ ) and is, in
feature-wise-*
suggest that inputs(n_features, n_samples)
, while the data in https://github.com/mala-project/test-data has(18, 18, 27, 94)
((18, 18, 27, 11)
(test/scaling_test.py
, reshaped to(18*18*27, n_features)
. Further, theDataScaler
code doestorch.mean(unscaled, 0, ...)
, so operates on columns (features, axis 0).It should be clearly stated that the "normal" and "standard" modes operate on the whole array, rather than along the opposite axis of the one that the
feature-wise-
modes use, which users may assume.Maybe "normal" should be renamed to something like "minmax", since "Normalization" is usually something different.
The text was updated successfully, but these errors were encountered: