Module net_ensembles::sampling

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

Bootstrap resampling functions

entropic_sampling

For using entropic sampling after a wang landau simulation

examples

Contains examples

glue

Glue together overlapping intervals of either entropic sampling or wang landau

heatmap

Generate heatmaps. Create Gnuplot scripts to plot said heatmaps

histogram

Traits for implementing histograms for Wang Landau or entropic sampling. Contains histogram implementations for all primitive numbers

metropolis

For making a Metropolis simulation

rees

Entropic sampling using a replica exchange approach

rewl

Replica exchange wang-landau

traits

Contains traits useful for sampling an ensemble like MarkovChain or Metropolis etc.

wang_landau

Wang Landau Implementation

Structs

ColorRGB

RGB value

CubeHelixParameter

Implements color palett from https://arxiv.org/abs/1108.5083

EntropicSampling

Entropic sampling made easy

EntropicSamplingAdaptive

Entropic sampling made easy

GlueResult

Glued together probability

GnuplotPointSettings

Defines gnuplot point

GnuplotSettings

Settings for gnuplot

HeatmapF64

Heatmap

HeatmapF64Mean

Heatmap with mean of y-axis

HeatmapUsize

Heatmap

HeatmapUsizeMean

Heatmap with mean of y-axis

HistogramFast

Faster version of HistogramInt for Integers

HistogramFloat

Generic Histogram struct

HistogramInt

Generic Histogram for integer types

Metropolis

Create a metropolis simulation

PaletteRGB

A color palette in RGB space

ReesWalker

Walker for Replica exchange entropic sampling

ReplicaExchangeEntropicSampling

Struct used for entropic sampling with replica exchanges

ReplicaExchangeWangLandau

Efficient replica exchange Wang landau

ReplicaExchangeWangLandauBuilder

Use this to create a replica exchange wang landau simulation

RewlWalker

Walker for Replica exchange Wang Landau

WangLandau1T

The 1/t Wang Landau approach comes from this paper

WangLandauAdaptive

Adaptive WangLandau 1/t

Enums

EntropicErrors

Error states, that entropic sampling, or the creation of EntropicSamplingAdaptive could encounter

GlueErrors

Possible errors that can occur during gluing together WangLandau intervals or Entropic Sampling intervals

GnuplotAxis

For labeling the gnuplot plots axis

GnuplotPalette

defines presets for different color palettes

GnuplotTerminal

Options for choosing gnuplot Terminal

HeatmapError

Errors of Heatmap

HistErrors

Possible Errors of the traits Histogram and HistogramVal

MetropolisError

Errors encountered during Metropolis Algorithm

RewlBuilderErr

Errors

RewlCreationErrors

Errors encountered during the creation of a Rewl struct (Replica exchange Wang Landau)

WangLandauErrors

List of possible errors

WangLandauMode

Look at the paper

Traits

Entropic

Traits for quantities that all Entropic simulations have

EntropicEEH

Helper trait, so that you have to type less

EntropicEnergy

trait to request the current energy from a Entropic simulation

EntropicEnsemble

trait to request a reference to the current (state of the) ensemble

EntropicHist

trait to request the current histogram from a Entropic simulation

HasRng

Access internal random number generator

HasUnsignedVersion

Helper trait for efficient calculations in other implementations

Histogram

Implements histogram

HistogramCombine

Used to get a histogram, which contains the smaller histograms

HistogramIntervalDistance

Distance metric for how far a value is from a valid interval

HistogramPartition

Your Interval is to large to sample in a resonable amound of time? No problem

HistogramVal

trait used for mapping values of arbitrary type T to bins

used to create a histogram

MarkovChain

Create a markov chain by doing markov steps

SimpleSample

For easy sampling of your ensemble

WangLandau

Traits for quantities that all Wang Landau simulations have

WangLandauEEH

Helper trait, so that you have to type less

WangLandauEnergy

trait to request the current energy from a WangLandau simulation

WangLandauEnsemble

trait to request a reference to the current (state of the) ensemble

WangLandauHist

trait to request the current histogram from a WangLandau simulation

Functions

bootstrap

returns reduced value + estimated error (as sqrt of variance). Note, that you can use bootstrap_copyable if your N1 implements Copy

bootstrap_copyable

Similar to bootstrap but for stuff that implements Copy. Likely more effient in these cases returns reduced value + estimated error (as sqrt of variance)

glue_entropic

Combine multiple WangLandau intervals to get the probability distribution of the whole interval

glue_wl

Combine multiple WangLandau intervals to get the probability distribution of the whole interval

heatmap_index

Get index of heatmap corresponding to a coordinate

log10_probability_and_align

Results of the simulation

log10_probability_and_align_ignore

Results of the simulation

log_probability_and_align

Results of the simulation

log_probability_and_align_ignore

Results of the simulation

merged_log_prob_ignore

Merge probability density of multiple rees simulations

norm_log10_sum_to_1

Normalize log10 probability density

Type Definitions

HeatmapU

Shorthand for HeatmapUsize

HistF32

Histogram for binning f32 - alias for HistogramFloat<f32>

HistF64

Histogram for binning f64 - alias for HistogramFloat<f64>

HistI8

Histogram for binning i8 - alias for HistogramIntiu8>

HistI8Fast

Histogram for binning i8 - alias for HistogramFastiu8>

HistI16

Histogram for binning i16 - alias for HistogramInt<i16>

HistI16Fast

Histogram for binning i16 - alias for HistogramFast<i16>

HistI32

Histogram for binning i32 - alias for HistogramInt<i32>

HistI32Fast

Histogram for binning i32 - alias for HistogramFast<i32>

HistI64

Histogram for binning i64 - alias for HistogramInt<i64>

HistI64Fast

Histogram for binning i64 - alias for HistogramFast<i64>

HistI128

Histogram for binning i128 - alias for HistogramInt<i128>

HistI128Fast

Histogram for binning i128 - alias for HistogramFast<i128>

HistIsize

Histogram for binning isize - alias for HistogramInt<isize>

HistIsizeFast

Histogram for binning isize - alias for HistogramFast<isize>

HistU8

Histogram for binning u8 - alias for HistogramInt<u8>

HistU8Fast

Histogram for binning u8 - alias for HistogramFast<u8>

HistU16

Histogram for binning u16 - alias for HistogramInt<u16>

HistU16Fast

Histogram for binning u16 - alias for HistogramFast<u16>

HistU32

Histogram for binning u32 - alias for HistogramInt<u32>

HistU32Fast

Histogram for binning u32 - alias for HistogramFast<u32>

HistU64

Histogram for binning u64 - alias for HistogramInt<u64>

HistU64Fast

Histogram for binning u64 - alias for HistogramFast<u64>

HistU128

Histogram for binning u128 - alias for HistogramInt<u128>

HistU128Fast

Histogram for binning u128 - alias for HistogramFast<u128>

HistUsize

Histogram for binning usize - alias for HistogramInt<usize>

HistUsizeFast

Histogram for binning usize- alias for HistogramFast<usize>

MetF32

short for Metropolis<E, R, S, Res, f32>

MetF64

short for Metropolis<E, R, S, Res, f64>

MetI8

short for Metropolis<E, R, S, Res, i8>

MetI16

short for Metropolis<E, R, S, Res, i16>

MetI32

short for Metropolis<E, R, S, Res, i32>

MetI64

short for Metropolis<E, R, S, Res, i64>

MetI128

short for Metropolis<E, R, S, Res, i128>

MetIsize

short for Metropolis<E, R, S, Res, isize>

MetU8

short for Metropolis<E, R, S, Res, u8>

MetU16

short for Metropolis<E, R, S, Res, u16>

MetU32

short for Metropolis<E, R, S, Res, u32>

MetU64

short for Metropolis<E, R, S, Res, u64>

MetU128

short for Metropolis<E, R, S, Res, u128>

MetUsize

short for Metropolis<E, R, S, Res, usize>

Rees

Short for ReplicaExchangeEntropicSampling

Rewl

Short for ReplicaExchangeWangLandau, which you can look at for citations

RewlBuilder

Short for ReplicaExchangeWangLandauBuilder