Tags » Gaussian

Confidence Interval of Normal Distribution

Ref: https://www.quora.com/What-is-the-difference-between-99-and-95-confidence-interval

Confidence intervals are a little bit tricky in a sense that people don’t define what they really mean by confidence interval.

Now let me tell you a scenario using which you can start understanding CIs on a very basic level. 611 more words


Introduction XI - Distributions and what they model

A lot of random variables follow a known distribution. It is therefore good to know some of the most common distributions and what they model. Remembering their PMFs or PDFs is not necessary. 382 more words


[BayesOpt 2] Gaussian Process for Regression

Gaussians and Gaussian Process
Gaussian Process for Regression
Bayesian Optimization – intuition (and some theory)

Bài này nằm trong Draft hơi lâu rồi, nên hôm nay publish luôn, mặc dù còn vài ý chưa viết hết.

2,184 more words

Partial optimization in Gaussian09

There are several ways to do partial optimization (freeze coordinates) in Gaussian.


Bayesian Optimization part 1: Gaussians and Gaussian Process

SigOpt, công ty làm về Bayesian Optimization  mà có lần mình làm chung vài thứ linh tinh, có hẳn một booth trong KDD năm nay. Nói như Nando de Freitas: “ 875 more words


Quick note on WFN(X) files and MP2 calculations #G09 #CompChem

A few weeks back we wrote about using WFN(X) files with MultiWFN in order to find σ-holes in halogen atoms by calculating the maximum potential on a given surface. 172 more words

Computational Chemistry

MTH LA EXP01 2-D Linear transformations with matrices

TOPICS / SKILLS:  2-D geometries, 2×2 matrix transformations, reflections, rotations, shear, dilation.

SUMMARY:  We are familiar with a number of geometric transformations, take some time to work out what 2×2 matrices can be used to effect the same transformations linearly. 127 more words