hkaneko1985 / lwplsLinks
Locally-Weighted Partial Least Squares (LWPLS)
☆22Updated 6 years ago
Alternatives and similar repositories for lwpls
Users that are interested in lwpls are comparing it to the libraries listed below
Sorting:
- Repository for 'Interpretable embeddings from molecular simulations using gaussian mixture variational autoencoders'☆20Updated 5 years ago
- Deep Batch Active Learning for Regression☆69Updated last year
- Implementation of the Slow Feature Analysis algorithm for unsupervised learning☆12Updated 3 years ago
- Code for paper Extended Multiplicative Signal Augmentation: An alternative to pre-processing of infrared spectra☆14Updated 4 years ago
- Uncertainty quantification of molecular property prediction using Bayesian deep learning☆45Updated 6 years ago
- Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.☆42Updated 4 years ago
- Heteroscedastic Bayesian Optimisation in Numpy☆23Updated 2 years ago
- Transfer via Extreme learning machine Auto-encoder Method (TEAM)☆20Updated 3 years ago
- Using deep learning approaches and convolutional neural networks (CNN) for spectroscopical data (deep chemometrics)☆75Updated 6 years ago
- This repository contains code for handling the materials images and spectra dataset that is the largest expermental materials science dat…☆15Updated last year
- Python implementation of domain-invariant partial least squares regression (di-PLS)☆21Updated 5 months ago
- DCEKit (Data Chemical Engineering toolKit)☆70Updated 2 months ago
- A hybirid mechanistic and data-driven (DAE-LSTM) model for estimating the CO2 concentration profile for a carbon capture plant.☆15Updated 3 years ago
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆52Updated 2 years ago
- ☆15Updated 6 years ago
- Transformer CNN for QSAR/QSPR modelling☆112Updated 2 weeks ago
- Automatic XRD classification for thin-film materials using CNNs, Class Activation Maps and Data Augmentation☆52Updated 5 years ago
- This project provides Slow Feature Analysis as a scikit-learn-style package.☆41Updated 2 years ago
- Sample selection using Kennard-Stone algorighm☆11Updated 6 years ago
- Benchmarking☆31Updated 3 years ago
- Gaussian processes and Bayesian optimization for images and hyperspectral data☆57Updated last year
- Experiments for DeepSHAP paper.☆20Updated 3 years ago
- Physics informed Bayesian network + autoencoder for matching process / variable / performance in solar cells.☆32Updated 4 years ago
- a universal machine learning model for predicting properties of Chemical Compounds☆11Updated 6 years ago
- ☆10Updated 4 years ago
- Hyperpatameter Bayesian Optimization for Image Classification in PyTorch☆12Updated 6 years ago
- ☆94Updated 3 weeks ago
- Dimethyl ether/Methanol to Olefins (DMTO) is one of the important unit in coal chemical industry, and the distribution of its reaction p…☆10Updated 3 years ago
- python toolkit for calibration of near infrared ( NIR) spectra☆17Updated 10 months ago
- Experimental design and Bayesian optimization library in Python/PyTorch☆55Updated last year