Module net_ensembles::sampling [−][src]
Expand description
For sampling ensembles
- contains Simple sampling, WangLandau, entropic sampling, Metropolis, Histograms
- This is just for compatibility reasons, everything was moved into its own crate, which you can find at crates.io/crates/sampling
Modules
Bootstrap resampling functions
For using entropic sampling after a wang landau simulation
Contains examples
Glue together overlapping intervals of either entropic sampling or wang landau
Generate heatmaps. Create Gnuplot scripts to plot said heatmaps
Traits for implementing histograms for Wang Landau or entropic sampling. Contains histogram implementations for all primitive numbers
For making a Metropolis simulation
Entropic sampling using a replica exchange approach
Replica exchange wang-landau
Contains traits useful for sampling an ensemble like MarkovChain or Metropolis etc.
Wang Landau Implementation
Structs
RGB value
Implements color palett from https://arxiv.org/abs/1108.5083
Entropic sampling made easy
Entropic sampling made easy
Glued together probability
Defines gnuplot point
Settings for gnuplot
Heatmap
Heatmap with mean of y-axis
Heatmap
Heatmap with mean of y-axis
Faster version of HistogramInt for Integers
Generic Histogram struct
Generic Histogram for integer types
Create a metropolis simulation
A color palette in RGB space
Walker for Replica exchange entropic sampling
Struct used for entropic sampling with replica exchanges
Efficient replica exchange Wang landau
Use this to create a replica exchange wang landau simulation
Walker for Replica exchange Wang Landau
The 1/t Wang Landau approach comes from this paper
Adaptive WangLandau 1/t
Enums
Error states, that entropic sampling, or the creation of EntropicSamplingAdaptive
could encounter
Possible errors that can occur during gluing together WangLandau intervals or Entropic Sampling intervals
For labeling the gnuplot plots axis
defines presets for different color palettes
Options for choosing gnuplot Terminal
Errors of Heatmap
Possible Errors of the traits Histogram
and HistogramVal
Errors encountered during Metropolis Algorithm
Errors
Errors encountered during the creation of a Rewl struct (Replica exchange Wang Landau)
List of possible errors
Look at the paper
Traits
Traits for quantities that all Entropic simulations have
Helper trait, so that you have to type less
trait to request the current energy from a Entropic simulation
trait to request a reference to the current (state of the) ensemble
trait to request the current histogram from a Entropic simulation
Access internal random number generator
Helper trait for efficient calculations in other implementations
Implements histogram
Used to get a histogram, which contains the smaller histograms
Distance metric for how far a value is from a valid interval
Your Interval is to large to sample in a resonable amound of time? No problem
T
to binsCreate a markov chain by doing markov steps
For easy sampling of your ensemble
Traits for quantities that all Wang Landau simulations have
Helper trait, so that you have to type less
trait to request the current energy from a WangLandau simulation
trait to request a reference to the current (state of the) ensemble
trait to request the current histogram from a WangLandau simulation
Functions
returns reduced value + estimated error (as sqrt of variance).
Note, that you can use bootstrap_copyable
if your N1
implements Copy
Similar to bootstrap but for stuff that implements Copy
. Likely more effient in these cases
returns reduced value + estimated error (as sqrt of variance)
Combine multiple WangLandau intervals to get the probability distribution of the whole interval
Combine multiple WangLandau intervals to get the probability distribution of the whole interval
Get index of heatmap corresponding to a coordinate
Results of the simulation
Results of the simulation
Results of the simulation
Results of the simulation
Merge probability density of multiple rees simulations
Normalize log10 probability density
Type Definitions
Shorthand for HeatmapUsize
Histogram for binning f32
- alias for HistogramFloat<f32>
Histogram for binning f64
- alias for HistogramFloat<f64>
Histogram for binning i8
- alias for HistogramIntiu8>
Histogram for binning i8
- alias for HistogramFastiu8>
Histogram for binning i16
- alias for HistogramInt<i16>
Histogram for binning i16
- alias for HistogramFast<i16>
Histogram for binning i32
- alias for HistogramInt<i32>
Histogram for binning i32
- alias for HistogramFast<i32>
Histogram for binning i64
- alias for HistogramInt<i64>
Histogram for binning i64
- alias for HistogramFast<i64>
Histogram for binning i128
- alias for HistogramInt<i128>
Histogram for binning i128
- alias for HistogramFast<i128>
Histogram for binning isize
- alias for HistogramInt<isize>
Histogram for binning isize
- alias for HistogramFast<isize>
Histogram for binning u8
- alias for HistogramInt<u8>
Histogram for binning u8
- alias for HistogramFast<u8>
Histogram for binning u16
- alias for HistogramInt<u16>
Histogram for binning u16
- alias for HistogramFast<u16>
Histogram for binning u32
- alias for HistogramInt<u32>
Histogram for binning u32
- alias for HistogramFast<u32>
Histogram for binning u64
- alias for HistogramInt<u64>
Histogram for binning u64
- alias for HistogramFast<u64>
Histogram for binning u128
- alias for HistogramInt<u128>
Histogram for binning u128
- alias for HistogramFast<u128>
Histogram for binning usize
- alias for HistogramInt<usize>
Histogram for binning usize
- alias for HistogramFast<usize>
short for Metropolis<E, R, S, Res, f32>
short for Metropolis<E, R, S, Res, f64>
short for Metropolis<E, R, S, Res, i8>
short for Metropolis<E, R, S, Res, i16>
short for Metropolis<E, R, S, Res, i32>
short for Metropolis<E, R, S, Res, i64>
short for Metropolis<E, R, S, Res, i128>
short for Metropolis<E, R, S, Res, isize>
short for Metropolis<E, R, S, Res, u8>
short for Metropolis<E, R, S, Res, u16>
short for Metropolis<E, R, S, Res, u32>
short for Metropolis<E, R, S, Res, u64>
short for Metropolis<E, R, S, Res, u128>
short for Metropolis<E, R, S, Res, usize>
Short for ReplicaExchangeEntropicSampling
Short for ReplicaExchangeWangLandau
,
which you can look at for citations
Short for ReplicaExchangeWangLandauBuilder