Sm00thix / IKPLS

Fast CPU and GPU Python implementations of Improved Kernel PLS by Dayal and MacGregor (1997) and Shortcutting Cross-Validation by Engstrøm (2024).
https://ikpls.readthedocs.io/en/latest/
Apache License 2.0
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Dev #32

Closed Sm00thix closed 2 months ago

Sm00thix commented 2 months ago

Fixed FutureWarning from https://github.com/Sm00thix/IKPLS/issues/24#issuecomment-2194939864 in relation to #24. The culprit was accidentally telling JAX's JIT compiler that argnum 1 (argname i) was static. This was in fact not always true. I ran a few benchmarks with the different JAX implementations after the fix to see if there were any differences in runtime. The runtimes seem unaffected compared to the original benchmarks.