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created a super minimal mash function for sketching sequences. #344

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merged 15 commits into from
Oct 5, 2023

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TimothyStiles
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This package is meant to help create "sketches" via the mash sketching algorithm. There's plenty of room for optimization here but I've implemented the core idea.

Mash: fast genome and metagenome distance estimation using MinHash.

Ondov, B.D., Treangen, T.J., Melsted, P. et al.
Genome Biol 17, 132 (2016).
https://doi.org/10.1186/s13059-016-0997-x

Mash Screen: high-throughput sequence containment estimation for genome discovery.

Ondov, B., Starrett, G., Sappington, A. et al.
Genome Biol 20, 232 (2019).
https://doi.org/10.1186/s13059-019-1841-x

mash/mash.go Outdated
Comment on lines 16 to 17
The idea is that we can sketch a sequence of data, and then compare the sketch to other sketches to see how similar they are.
This saves a bunch of computation time and memory, because we don't have to compare the entire sequence to another sequence.
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It'd be nice to have some context on how this differs from algorithms like minimap2. Computation upfront?

mash/mash.go Outdated

import "github.com/spaolacci/murmur3"

// sketch algorithm
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It'd be nice to have more context for this. Where is the sketch algorithm?

Comments should go up to 80char

For this long of multiline, especially if just context, should have a multiline comment style

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I think it's fine to have multiline comments that start each line with //, and IMO we should standardize this across the repo to be one way or the other - not a huge deal though.

mash/mash.go Outdated Show resolved Hide resolved
// what are mash's inputs and outputs?
// inputs: a

type Mash struct {
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I'd like a description now what a mash is

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@Koeng101 does the top level package comment resolve this?

mash/mash.go Outdated
}
}

func (m *Mash) Sketch(sequence string) {
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Is this the NewMash function? If so, a function description string would be nice

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mash/mash.go Outdated Show resolved Hide resolved
mash/mash.go Outdated
Comment on lines 90 to 92
// for each kmer in the window, hash it to a 32 bit number
// keep the minimum hash value of all the kmers in the window up to a given sketch size
// the sketch is a vector of the minimum hash values
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What's this?

Comment on lines 9 to 20
func TestMash(t *testing.T) {
fingerprint1 := mash.NewMash(17, 10)
fingerprint1.Sketch("ATGCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGA")

fingerprint2 := mash.NewMash(17, 10)
fingerprint2.Sketch("ATGCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGATCGA")

distance := fingerprint1.Distance(fingerprint2)
if distance != 0 {
t.Errorf("Expected distance to be 0, got %f", distance)
}
}
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No tests for affirming the algorithm actually works on more complicated sequences or in the null case

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Good point. Any ideas for a good test case @Koeng101?

mash/mash.go Outdated Show resolved Hide resolved
@carreter carreter added the draft label Sep 16, 2023
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7zdkzz

@TimothyStiles
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adding the help wanted tag because @Koeng101 wants this merged but the following still needs to be done and I won't be able to get around to it for at least a week.

  1. Keep hashes sorted for faster search
  2. Figure out where this belongs on the package level e.g seqhash or maybe a new search package?
  3. Better comments and docs in general
  4. 100% test coverage and more robust test case.

@TimothyStiles TimothyStiles added the help wanted Extra attention is needed label Sep 21, 2023
@carreter carreter removed the draft label Sep 23, 2023
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Linking this to #356

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I've suggested a radically different API for performance and future proof reasons. Let me know what y'all think.

mash/mash.go Outdated Show resolved Hide resolved
mash/mash.go Outdated
Sketches []uint32
}

func NewMash(kmerSize uint, sketchSize uint) *Mash {
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Seems to me that this API could be simplified quite a lot and be made more direct and performant:

// WriteSketches writes `n` sketches into dstSketches by splitting sequence
// into chunks of `kmerSize`.
func WriteSketches(dstSketches []uint32, sequence string, kmerSize int) (n int, _ error) {
 
} 

This would also give us leeway by not exposing leaky abstractions in case in the future we realize we want to be able to configure how we write our Sketches with a Masher/Mash type which takes several configuration parameters which may not be apparent to us today.

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Also I'd avoid uint in size definitions to catch programmer errors early. Having sizes as uint can do more harm than good i.e:

sketchSize := uint(len(sketchPool) - totalProcessed)

In the code above the user calculates the sketch size from a pair of ints. If the user is mistaken and the result of the calculation is negative then uint converts the negative number into a massively huge number which would cause a out of memory panic.

Compared to negative size panics the OOM panic can affect other goroutines running in the same program.

mash/mash.go Outdated
// count the number of hashes that are the same
// divide the number of hashes that are the same by the total number of hashes
// the result is the distance between the two sequences
func (m *Mash) Distance(other *Mash) float64 {
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With the above change Distance could be rewritten as

func Distance(a, b []uint32) float64

mash/mash.go Outdated
func (m *Mash) Distance(other *Mash) float64 {
var sameHashes int
for i := 0; i < len(m.Sketches); i++ {
for j := 0; j < len(other.Sketches); j++ {
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This nested loop could be changed for two separate loops, one where the shorter sketch slice is stored into a map[uint32]struct{} type and the other where they are checked to see if other long uint32s slice contains entries which are in the map. Would speed up for large sketches.

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I really like @soypat changes in this case. They make a lot of sense to me

@TimothyStiles TimothyStiles mentioned this pull request Sep 27, 2023
@TimothyStiles TimothyStiles marked this pull request as ready for review October 5, 2023 22:37
@TimothyStiles TimothyStiles merged commit 2271b5d into main Oct 5, 2023
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@delete-merged-branch delete-merged-branch bot deleted the minhash-forest branch October 5, 2023 22:48
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4 participants