Machine Learning
Haven't been updating for a while, but made conformal prediction up and running. while making this flow, found a part of KNIME which was quite difficult to overcome Loop in another loop made a same name flow variable. In this case "iterati…
There are many ways to select features for the model calculation. Previously I posted using randome forest importance. hateknime.hatenablog.com This time I used the "Feature Selection Loop". Using this loop, you can Forward select, Backwar…
In many cases, you'd have objective values being missing. That is, there are Yes and No values but also 'I don't know' values (hence null). But following the trend of neural network and deep learning, I wanted to do multi-task learning to …
Previously I posted active learning example. hateknime.hatenablog.com and did say I'm going to try with density label so here it is. Took a while with all sorts of problems but I had it in the end. I plotted what happens with AMES dataset.…
I posted making Random Forest, XGBoost, SVM Models previously. hateknime.hatenablog.com So how about combining them all together. Here is what I did. Top part is all learning part that can be copy and pasted from previous posts. I added sa…
Recently, I read this articlehttps://medium.com/pytorch/active-transfer-learning-with-pytorch-71ed889f08c1 Active transfer learning looked fun and do-able using KNIME too. SO had a play around with KNIME workflow and got this. Learns the p…
This is basically from https://hub.knime.com/knime/spaces/Examples/latest/03_Visualization/02_JavaScript/13_Binary_Classification_Inspector which again was so educational, useful and fun! All I did was train by each learners (and using def…
OK, been playing around with active loop learn for while. This page https://hub.knime.com/knime/spaces/Examples/latest/04_Analytics/12_Active_Learning/03_Active_Learning_Uncertainty_Sampling was very useful for studying for uncertainty sco…
It's a bit of nodes but Keras freeze layer in the top middle is everything here. I retrained last layer like this. Is this meaningful???Maybe not, I mean it didn't make the score any good nor bad. Looking at this KNIME blog post https://ww…
in previous post I made Neural Network like workflow. I was wondering how to add descriptors as an input, so I tried it too. It was VERY easy... I thought I would have more trouble doing this. So, I added descriptors, normalizer, collect c…
Sometimes you want to see which factors are influencing the most. One very typical way is to use random forest and feature extract so lets see that in KNIME. I first got to know how to use this Tree Ensemble learner to extract feature impo…
Finally had a time to play with KNIME keras integration. But didn't know how to use them at all so took a parts from 09_Wide_and_Deep_Learning_on_Census_Dataset which is up on EXAMPLES. So here it is I calculated ECFP and MACCS for fun thi…
Haven't been updating for a while and KNIME was upgraded to 4.0.0!! Must play with this then. So gonna play first with Bayesian Optimization new in 4.0.0 Parameter Optimization placement in the workflow is the same but I'm playing with SVM…
Why didn't I do this from first time... So let's recall, this is from Random Forest and this from SVM and lastly from XGBoost So, XGBoost gave the best accuracy, for a contest here. But I guess it's all about how you use the model. SVM may…
Move onto doing random forest because SVM wasn't so good (at this case! not always!!). And I won't bother tuning parameters for SVM too. File Reader: Read csv Column Filter: Delete unnecessary columns RDKit Fingerprint: Morgan FP as always…
Having good fun with clustering analysis, gonna move to doing some machine learning. Again, so simple to do so with KNIME. File Reader: Reads csv Column Filter: Remove unnecessary columns RDKit Fingerpring: Rocks! Expand Bit Vector: Do I n…