Re: [science-iwg] Eclipse Proposal - Matrix Algorithms

[Philip Wenig <philip.wenig@xxxxxxxxxxxxx>]

Erwin,

yep, that needs to be determined. Currently, we are using EJML v0.29. I 
assume that most of the needed functions (matrix multiplication, matrix 
addition, ...) can be easily mapped. If not, it would be also OK to 
directly link a library, preferably an Eclipse project like Eclipse 
January or Eclipse ND4J.


Best,
Philip

Am 20.06.19 um 12:38 schrieb erwindl0@xxxxxxxxx:
> Hi Philip,
>
> Interesting proposition.
>
> I'm not that experienced in this domain, but wouldn't this always be linked to a concrete a-priori data structure / matrix representation?
> E.g. January or ND4J or ... have their own multi-dimensional array representations.
>
> Or would this project provide its own matrix structure API and implementations (and bridges to some other well-known projects' data structures)?
>
> cheers
> erwin
>
>
> -----Original Message-----
> From: science-iwg-bounces@xxxxxxxxxxx <science-iwg-bounces@xxxxxxxxxxx> On Behalf Of Philip Wenig
> Sent: Thursday, 20 June 2019 09:48
> To: science-iwg@xxxxxxxxxxx
> Subject: [science-iwg] Eclipse Proposal - Matrix Algorithms
>
> Hi folks,
>
> does it make sense to file a new Eclipse Proposals "Matrix Algorithms"
> under the umbrella of the Science working group?
>
> We have dozens of algorithms in ChemClipse/OpenChrom which we would like to migrate to a separate project. The goal is, that they can be reused more easily in other projects. I assume
>
> Diamond Light Source
> Oak Ridge
> deeplearning4j
> ...
>
> are facing the same problem. At the moment, these algorithms are part of ChemClipse, DAWNSci, deeplearning4j ... and to use them, you have to clone the complete project even if you only need a certain algorithm. We could provide the following algorithms (implementations) in Java:
>
> SVD (Singular Value Decomposition)
> NIPALS (Non-linear Iterative Partial Least Squares) OPLS (Orthogonal Projections to Latent Structures)
>
> Currently, we are working on:
>
> MCR-AR (Multivariate Curve Resolution - Alternating Regression)
>
> In the future, we are interested to implement:
>
> PARAFAC2 (Parallel Factor Analysis 2)
> TCC (Tucker's Congruence Coefficient)
>
> Java isn't that strong in matrix operations, though we could use matrix libraries and/or create the algorithms in a way that different matrix libraries (Java, C, ...) can be used, e.g.:
>
> ND4J (http://nd4j.org)
> Eclipse January (https://www.eclipse.org/january) EJML (http://ejml.org) OpenBLAS (https://www.openblas.net)
>
> In my opinion, we should have a dependency to Apache Commons Math and setup the project in an encapsulated way, similar as SWTChart for plotting charts (it requires only double[] arrays to plot the data).
>
> https://commons.apache.org/proper/commons-math
> https://github.com/eclipse/swtchart
>
>
> What's your opinion?
> Feedback is highly appreciated.
>
>
> Best,
> Philip
>
> --
> ~~~~~~~~~~~~~~~~~~~~~~~~
> OpenChrom - the open source alternative for chromatography / mass spectrometry Dr. Philip Wenig » Founder » philip.wenig@xxxxxxxxxxxxx » http://www.openchrom.net ~~~~~~~~~~~~~~~~~~~~~~~~
>
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--
~~~~~~~~~~~~~~~~~~~~~~~~
OpenChrom - the open source alternative for chromatography / mass spectrometry
Dr. Philip Wenig » Founder » philip.wenig@xxxxxxxxxxxxx » http://www.openchrom.net
~~~~~~~~~~~~~~~~~~~~~~~~