Multivariate Description
Mar 28, 2015
Multivariate Description
What Technique?
Response variable(s) ...
Predictors(s)
No
Predictors(s)
Yes
... is one • distribution summary • regression models
... are many • indirect gradient analysis
(PCA, CA, DCA, MDS)
• cluster analysis
• direct gradient analysis
• constrained cluster analysis
• discriminant analysis (CVA)
a) Rotate the Variable Space
Raw Data
65 70 75 80 85
81
01
21
41
61
82
0
Height
Dia
me
ter
Linear Regression
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81
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41
61
82
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Height
Dia
me
ter
Two Regressions
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Dia
me
ter
Principal Components
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61
82
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Height
Dia
me
ter
Gulls Variables
Weight
400 420 440 105 115 125 135
700
900
1100
400
420
440
Wing
Bill
1618
2022
700 800 900 1100
105
115
125
135
16 17 18 19 20 21 22
H.and.B
Scree Plot
Comp.1 Comp.2 Comp.3 Comp.4
gulls.pca2V
ari
an
ces
0.0
0.5
1.0
1.5
2.0
2.5
3.0
Output
> gulls.pca2$loadings
Loadings:
Comp.1 Comp.2 Comp.3 Comp.4Weight -0.505 -0.343 0.285 0.739Wing -0.490 0.852 -0.143 0.116Bill -0.500 -0.381 -0.742 -0.232H.and.B -0.505 -0.107 0.589 -0.622
> summary(gulls.pca2)
Importance of components:
Comp.1 Comp.2 Comp.3 Standard deviation 1.8133342 0.52544623 0.47501980 Proportion of Variance 0.8243224 0.06921464 0.05656722 Cumulative Proportion 0.8243224 0.89353703 0.95010425
Bi-Plot
-0.15 -0.10 -0.05 0.00 0.05 0.10
-0.1
5-0
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-0.0
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.10
Comp.1
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mp
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-20 -10 0 10
-20
-10
01
0
Weight
Wing
Bill
H.and.B
Male or Female?
-1.0 -0.5 0.0 0.5 1.0
-0.5
0.0
0.5
1.0
PC1
PC
2
Linear Discriminant
> gulls.lda <- lda(Sex ~ Wing + Weight + H.and.B + Bill, gulls)
lda(Sex ~ Wing + Weight + H.and.B + Bill, data = gulls)
Prior probabilities of groups:
0 1 0.5801105 0.4198895
Group means:
Wing Weight H.and.B Bill0 410.0381 871.7619 115.1143 17.625241 430.6118 1054.3092 125.9474 19.50789
Coefficients of linear discriminants:
LD1Wing 0.045512619Weight 0.001887236H.and.B 0.138127194Bill 0.444847743
Discriminating
-4 -2 0 2 4
0.0
0.1
0.2
0.3
0.4
group 0
-4 -2 0 2 4
0.0
0.1
0.2
0.3
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group 1
Relationship between PCA and LDA
-4 -2 0 2 4
-4-2
02
4
gulls.pca2$scores[, 1]
gu
lls.p
red
$x
CVA
CVA
b) Use Distance or Dissimilarity (Multi-Dimensional Scaling)
A Distance Matrix
Uses of Distances
Distance/Dissimilarity can be used to:-
• Explore dimensionality in data(using PCO)
• As a basis for clustering/classification
UK Wet Deposition Network
-400 -200 0 200 400
-40
0-2
00
02
00
40
0
Dim1
Dim
2
Goonhilly
Lough Navar
Achanarras
Flatford Mill
Strathvaich Dam
Yarner WoodBarcombe Mills
Stoke Ferry
Hillsborough Forest
Tycanol Wood
Allt a MharcaidhGlen Dye
Driby
Woburn
Balquhidder 2
Compton
High Muffles
Bottesford
Whiteadder
Pumlumon
Loch Dee Redesdale
Wardlow Hay Cop
Cow Green ReservoirBannisdale
Fitting Environmental Variables
-400 -200 0 200 400
-40
0-2
00
02
00
40
0
Dim1
Dim
2
Goonhilly
Lough Navar
Achanarras
Flatford Mill
Strathvaich Dam
Yarner WoodBarcombe Mills
Stoke Ferry
Hillsborough Forest
Tycanol Wood
Allt a MharcaidhGlen Dye
Driby
Woburn
Balquhidder 2
Compton
High Muffles
Bottesford
Whiteadder
Pumlumon
Loch Dee Redesdale
Wardlow Hay Cop
Cow Green ReservoirBannisdale
A Map based on Measured Variables
-3 -2 -1 0 1 2
-3-2
-10
1
CA1
CA
2
AchanarrasGoonhilly
Stoke Ferry
Flatford Mill
Woburn
Barcombe Mills
Pumlumon
Driby
Balquhidder 2
Lough Navar
Eskdalemuir
Compton
Tycanol Wood
Preston Montford
Allt a Mharcaidh
High Muffles
Whiteadder
Glen Dye
Fitting Environmental Variables
-3 -2 -1 0 1 2
-3-2
-10
1
CA1
CA
2
Goonhilly
Yarner Wood
Barcombe Mills
ComptonFlatford Mill
Woburn
Tycanol Wood
Llyn Brianne
Pumlumon
Stoke Ferry
Preston Montford
Bottesford
Wardlow Hay CopDriby
High MufflesBannisdale
Hillsborough Forest
Lough Navar
Cow Green ReservoirLoch Dee
Redesdale Eskdalemuir
Whiteadder
Balquhidder 2Glen Dye
Allt a Mharcaidh
Strathvaich Dam
Achanarras
c) Summarise by Weighted Averages
Species and Sites as
Weighted Averages of each other
SITES
1 1 1111 1 2111 SPP. 23466185750198304927 Bel per 3.2....2..2..22..... Jun buf .3..........4..…42.. Jun art ...3..4..3..4..4.... Air pra ........2........3.. Ele pal ...8..4..5.....44... Rum ace ....6..5....2..…23.. Vic lat ..........12.1...... Bra rut ..246.22.4242624.342 Ran fla .2.2..2..2.....42... Hyp rad ........2..2.....5.. Leo aut 522.3.33223525222623 Pot pal .........2......2... Poa pra 424.34421.44435.…4.. Cal cus ...3...........34... Tri pra ....5..2........…2.. Tri rep 521.5.22.163322.6232 Ant odo ....3..44.4......4.2 Sal rep .............3.5.3.. Ach mil 3...21.22.4.....…2.. Poa tri 79524246..4.5.6…45.. Ely rep 4.4..4.4....6.4..... Sag pro .25...2....22....34. Pla lan ....5..52.33.3..…5.. Agr sto .587..4..4..3.454.4. Lol per 5.5.6742..67226.…6.. Alo gen 2524..5.....3.7...8. Bro hor 4.3....2..4.....…2..
Species and Sites as Weighted Averages of each other
-2 -1 0 1 2
-10
12
3
CA1
CA
2
Belper
Empnig
Junbuf
Junart
Airpra
Elepal
Rumace
ViclatBrarut Ranfla
Cirarv
Hyprad
LeoautPotpal
Poapra
Calcus
TripraTrirep
Antodo
Salrep
Achmil
Poatri
ChealbElyrep
Sagpro
Plalan
AgrstoLolper
Alogen
Brohor
213
4
166
1
85
17
15
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7
Reciprocal Averaging - unimodal
Site A B C D E F Species
Prunus serotina 6 3 4 6 5 1 Tilia americana 2 0 7 0 6 6 Acer saccharum 0 0 8 0 4 9 Quercus velutina 0 8 0 8 0 0 Juglans nigra 3 2 3 0 6 0
Reciprocal Averaging - unimodal
Site A B C D E F Species ScoreSpecies Iteration 1
Prunus serotina 6 3 4 6 5 1 1.00 Tilia americana 2 0 7 0 6 6 0.63 Acer saccharum 0 0 8 0 4 9 0.63 Quercus velutina 0 8 0 8 0 0 0.18 Juglans nigra 3 2 3 0 6 0 0.00
Iteration 1 1.00 0.00 0.86 0.60 0.62 0.99 Site Score
Reciprocal Averaging - unimodal
Site A B C D E F Species ScoreSpecies Iteration 1 2
Prunus serotina 6 3 4 6 5 1 1.00 0.68 Tilia americana 2 0 7 0 6 6 0.63 0.84 Acer saccharum 0 0 8 0 4 9 0.63 0.87 Quercus velutina 0 8 0 8 0 0 0.18 0.30 Juglans nigra 3 2 3 0 6 0 0.00 0.67
Iteration 1 1.00 0.00 0.86 0.60 0.62 0.99 Site 2 0.65 0.00 0.88 0.05 0.78 1.00 Score
Reciprocal Averaging - unimodal
Site A B C D E F Species ScoreSpecies Iteration 1 2 3
Prunus serotina 6 3 4 6 5 1 1.00 0.68 0.50 Tilia americana 2 0 7 0 6 6 0.63 0.84 0.86 Acer saccharum 0 0 8 0 4 9 0.63 0.87 0.91 Quercus velutina 0 8 0 8 0 0 0.18 0.30 0.02 Juglans nigra 3 2 3 0 6 0 0.00 0.67 0.66
Iteration 1 1.00 0.00 0.86 0.60 0.62 0.99 Site 2 0.65 0.00 0.88 0.05 0.78 1.00 Score 3 0.60 0.01 0.87 0.00 0.78 1.00
Reciprocal Averaging - unimodal
Site A B C D E F Species ScoreSpecies Iteration 1 2 3 9
Prunus serotina 6 3 4 6 5 1 1.00 0.68 0.50 0.48Tilia americana 2 0 7 0 6 6 0.63 0.84 0.86 0.85Acer saccharum 0 0 8 0 4 9 0.63 0.87 0.91 0.91Quercus velutina 0 8 0 8 0 0 0.18 0.30 0.02 0.00Juglans nigra 3 2 3 0 6 0 0.00 0.67 0.66 0.65
Iteration 1 1.00 0.00 0.86 0.60 0.62 0.99 Site 2 0.65 0.00 0.88 0.05 0.78 1.00 Score 3 0.60 0.01 0.87 0.00 0.78 1.00 9 0.59 0.01 0.87 0.00 0.78 1.00
Reordered Sites and Species
Site A C E B D F Species Species Score
Quercus velutina 8 8 0 0 0 0 0.004Prunus serotina 6 3 6 5 4 1 0.477Juglans nigra 0 2 3 6 3 0 0.647Tilia americana 0 0 2 6 7 6 0.845Acer saccharum 0 0 0 4 8 9 0.909
Site Score 0.000 0.008 0.589 0.778 0.872 1.000
Managing Dimensionality (but not acronyms)
PCA, CA, RDA, CCA, MDS, NMDS, DCA, DCCA, pRDA, pCCA
Type of Data Matrix
species
site
s
attributes
spec
ies
attributes
site
s
attributes
indi
vidu
als
desertmacrophinverts
uses
watervarrain
gulls
Ordination Techniques
Linear methods Weighted averaging
unconstrained Principal Components
Analysis (PCA)
Correspondence Analysis
(CA)
constrained Redundancy Analysis (RDA)
Canonical
Correspondence Analysis (CCA)
Models of Species Response
There are (at least) two models:-
• Linear - species increase or decrease along the environmental gradient
• Unimodal - species rise to a peak somewhere along the environmental gradient and then fall again
A Theoretical Model
Environmental Gradient
Abundance
80706050403020100
100
80
60
40
20
0
Linear
-0.4 +0.4
+0.0
+7.0
Unimodal
-2.5 +3.5
+0.0
+250.0
Alpha and Beta Diversity
alpha diversity is the diversity of a community (either measured in terms of a diversity index or species richness)
beta diversity (also known as ‘species turnover’ or ‘differentiation diversity’) is the rate of change in species composition from one community to another along gradients; gamma diversity is the diversity of a region or a landscape.
A Short Coenocline
-0.5 +0.7
+0.0
+8.0
Ach m il
Agr s to
Air pra
Jun a rt
Pot pa l
Ra n fla
A Long Coenocline
Inferring Gradients from Species (or Attribute) Data
Indirect Gradient Analysis
• Environmental gradients are inferred from species data alone
• Three methods:– Principal Component Analysis - linear model– Correspondence Analysis - unimodal model– Detrended CA - modified unimodal model
Terschelling Dune Data
PCA gradient - site plot
PCA 1
PCA
2
2.01.51.00.50.0-0.5-1.0-1.5
2.0
1.5
1.0
0.5
0.0
-0.5
-1.0
Managmentbiodynamichobbynaturestandard
PCA Plot for Dune Species Data
PCA gradient - site/species biplot
Axis 1
Axi
s 2
210-1-2
2.5
2.0
1.5
1.0
0.5
0.0
-0.5
-1.0
Ach mil
Agr sto
Alo gen
Ant odo
Bel perBro hor
Ele pal
Ely rep
Jun art
J un buf
Leo aut
Lol per
Pla lan
Poa pra
Poa tri
Ran flaRum ace
Sag pro
Tri rep
Bra rut
Biplot for Dune Species Data
standard
nature
biodynamic& hobby
Arches - Artifact or Feature?
The Arch Effect
• What is it?
• Why does it happen?
• What should we do about it?
From Alexandria to Suez
CA - with arch effect (sites)
-3.0 +4.5
-3.5
+4.5
ALEX 07
ALEX 05
ALEX 06ALEX 08
CSRA 23
CSRA 16CSRA 17
CSRA 22CSRA 20CSRA 21
CSRA 12
ALEX 03
ALEX 02
CSRA 13
CSRA 15
ALEX 04
CSRA 11
CSRA 14
CSRA 18CSRA 19
ALEX 01
CSRA 30CSRA 32
CSRA 24CSRA 31
CSRA 25ALEX 10ALEX 09
CSRA 33
CSRA 35
CSRA 26
CSRA 29CSRA 34
CSRA 27CSRA 28
CA - with arch effect (species)
-3.0 +4.5
-3.5
+4.5
HAL SAL
ECH SERASP MIC
THY HIR
HAM ELEACH SANLAU SPIZYG DEC
CRO AEG
ART JUD
VER OFF
LAS HIR
LYC SHA
OCH BAC
PUL UND
IPH MUC
ZYG COC
LAU NUD
PAN TUR
KIC AEG
LYG RAE
AST GRA
ART MON
FAR AEG
ECH SPI
SAL LAN
ATR CAR
MOL CIL
EUP RET
CON LAN
ANA ART
PIT TOR
FAG ARA
SAL AEGZIL SPI
PER TOM
CAL COM
STI LAN
GYP CAP
AST SPI
HYO MUT
CLE DRO
RUT TUB
HEL ARA
SPH AUC
Long Gradients
A B C D
Gradient End Compression
CA - with arch effect (species)
-3.0 +4.5
-3.5
+4.5
HAL SAL
ECH SERASP MIC
THY HIR
HAM ELEACH SANLAU SPIZYG DEC
CRO AEG
ART JUD
VER OFF
LAS HIR
LYC SHA
OCH BAC
PUL UND
IPH MUC
ZYG COC
LAU NUD
PAN TUR
KIC AEG
LYG RAE
AST GRA
ART MON
FAR AEG
ECH SPI
SAL LAN
ATR CAR
MOL CIL
EUP RET
CON LAN
ANA ART
PIT TOR
FAG ARA
SAL AEGZIL SPI
PER TOM
CAL COM
STI LAN
GYP CAP
AST SPI
HYO MUT
CLE DRO
RUT TUB
HEL ARA
SPH AUC
CA - with arch effect (sites)
-3.0 +4.5
-3.5
+4.5
ALEX 07
ALEX 05
ALEX 06ALEX 08
CSRA 23
CSRA 16CSRA 17
CSRA 22CSRA 20CSRA 21
CSRA 12
ALEX 03
ALEX 02
CSRA 13
CSRA 15
ALEX 04
CSRA 11
CSRA 14
CSRA 18CSRA 19
ALEX 01
CSRA 30CSRA 32
CSRA 24CSRA 31
CSRA 25ALEX 10ALEX 09
CSRA 33
CSRA 35
CSRA 26
CSRA 29CSRA 34
CSRA 27CSRA 28
Detrending by Segments
-3.0 +4.5
-3.5
+4.5
HAL SAL
ECH SERASP MIC
THY HIR
HAM ELEACH SANLAU SPIZYG DEC
CRO AEG
ART JUD
VER OFF
LAS HIR
LYC SHA
OCH BAC
PUL UND
IPH MUC
ZYG COC
LAU NUD
PAN TUR
KIC AEG
LYG RAE
AST GRA
ART MON
FAR AEG
ECH SPI
SAL LAN
ATR CAR
MOL CIL
EUP RET
CON LAN
ANA ART
PIT TOR
FAG ARA
SAL AEGZIL SPI
PER TOM
CAL COM
STI LAN
GYP CAP
AST SPI
HYO MUT
CLE DRO
RUT TUB
HEL ARA
SPH AUC
DCA - modified unimodal
-1.0 +5.5
-1.5
+4.5
CSRA 23
CSRA 16
CSRA 17
CSRA 22
CSRA 12
CSRA 21CSRA 20
CSRA 13
CSRA 15
CSRA 11CSRA 14
CSRA 18CSRA 19
CSRA 29
CSRA 26
CSRA 34
CSRA 27CSRA 28
CSRA 35CSRA 33
ALEX 09
CSRA 25CSRA 31
ALEX 10
CSRA 24
CSRA 32CSRA 30
ALEX 01
ALEX 04ALEX 02ALEX 03
ALEX 08ALEX 05ALEX 06ALEX 07
HAM ELEACH SANLAU SPIZYG DECCRO AEG.ART JUD
VER OFF.
LAS HIR
LYC SHA
OCH BAC
PUL UND
IPH MUC.
ZYG COC
LAU NUD
PAN TUR
KIC AEG
LYG RAE
AST GRA
FAR AEG
ECH SPI
ATR CAREUP RETPIT TOR
FAG ARA
SAL AEG
ZIL SPI
CAL COM
STI LAN
AST SPI
HYO MUTCLE DRO
RUT TUB
HEL ARA
GYP CAPPER TOM
ANA ART
CON LAN
MOL CIL
SAL LAN.
ART MON
HAL SALECH SER.
THY HIR
ASP MIC
SPH AUC
Making Effective Use of Environmental Variables
Approaches
• Use single responses in linear models of environmental variables
• Use axes of a multivariate dimension reduction technique as responses in linear models of environmental variables
• Constrain the multivariate dimension reduction into the factor space defined by the environmental variables
Unconstrained/Constrained
• Unconstrained ordination axes correspond to the directions of the greatest variability within the data set.
• Constrained ordination axes correspond to the directions of the greatest variability of the data set that can be explained by the environmental variables.
Direct Gradient Analysis
• Environmental gradients are constructed from the relationship between species environmental variables
• Three methods:– Redundancy Analysis - linear model– Canonical (or Constrained) Correspondence
Analysis - unimodal model– Detrended CCA - modified unimodal model
Direct Gradient Analysis• Basic PCA
yik = b0k + b1kxi + eik
– xi - the sample scores on the ordination axis
– b1k - the regression coefficients for each species (the species scores on the ordination axis)
• In RDA there is a further constraint on xi
xi = c1zi1 + c2zi2
• Makingyik = b0k + b1kc1zi1 + b1kc2zi2 + eik
Direct Gradient Analysis
cca(species_data ~ e1 + e2 + ... + en + Condition(e5), data=environmental_data)
cca(varespec ~ Al + P*(K + Baresoil) + Condition(pH), data=varechem)
Lake Nasser - Egypt
CCA - site/species joint plot
-1.0 +1.0
-1.0
+1.0
MaEs10
AlEd6AlEd5
ZaEs20
KrEs14
KrWs12
MrWd3MrWd2
TuW23TuW24TuW22
IbEd16
MrWs4
MaEd9
IbEs15
MaW11
AlEs7AlEs8
IbWd18
MrEd1
Annelida
Protozoa
Turbellaria
Tardigrada
Nematoda
Cladocera
Insecta
Ostracoda
Copepoda
Rotifera
CCA - species/environment biplot
-1.0 +1.0
-1.0
+1.0
TDSMg
lgNO2
EC
DO
NO3
Ca
pH
WD
PO4TH
lgTSS
Annelida
Protozoa
Turbellaria
Tardigrada
Nematoda
Cladocera
Insecta
Ostracoda
Copepoda
Rotifera
Removing the Effect of Nuisance Variables
Partial Analyses
• Remove the effect of covariates – variables that we can measure but which are of
no interest– e.g. block effects, start values, etc.
• Carry out the gradient analysis on what is left of the variation after removing the effect of the covariates.
Cluster Analysis
Different types of data
example
Continuous data : height
Categorical data
ordered (nominal) : growth rate very slow, slow, medium, fast, very
fast
not ordered : fruit colour yellow, green, purple, red, orange
Binary data : fruit / no fruit
Similarity matrixWe define a similarity between units – like the correlation between continuous variables.
(also can be a dissimilarity or distance matrix)
A similarity can be constructed as an average of the similarities between the units on each variable.
(can use weighted average)
This provides a way of combining different types of variables.
relevant for continuous variables:
Euclidean
city block or Manhattan
Distance metrics
A
B
A
B
(also many other variations)
Similarity coefficients for binary data
simple matching
count if both units 0 or both units 1
Jaccard
count only if both units 1
(also many other variants)
simple matching can be extended to categorical data
0,1 1,1
0,0 1,0
0,1 1,1
0,0 1,0
hierarchical
divisive
put everything together and split
monothetic / polythetic
agglomerative
keep everything separate and join the most similar points (classical cluster analysis)
non-hierarchical
k-means clustering
Clustering methods
Agglomerative hierarchical
Single linkage or nearest neighbour
finds the minimum spanning tree: shortest tree that connects all points
chaining can be a problem
Agglomerative hierarchical
Complete linkage or furthest neighbour
compact clusters of approximately equal size.(makes compact groups even when none exist)
Agglomerative hierarchical
Average linkage methods
between single and complete linkage
Testing Significance in Ordination
Randomisation Tests
Lake Species Richness Area Fertilised
1 32 2.0 yes
2 29 0.9 yes
3 35 3.1 yes
4 36 3.0 yes
5 41 1.0 no
6 62 2.0 no
7 88 4.0 no
8 77 3.5 no
Randomisation Tests
0.5950 0.0894 0.0259 0.0047 0.2879 0.1839 0.0493 0.0166 0.1810 0.0001 0.0028 0.0838 0.0016 0.4809 0.0072 0.0094 0.0084 0.0315 0.0807 0.1322 0.1649 0.0068 0.4786 0.0842 0.0066 0.3674 0.1496 0.0501 0.0434 0.0544 0.0643 0.0107 0.0101 0.3152 0.0015 0.3450 0.0004 0.1151 0.0125 0.0635
Randomisation Example
Model: cca(formula = dune ~ Moisture + A1 + Management, data = dune.env)
Df Chisq F N.Perm Pr(>F)
Model 7 1.1392 2.0007 200 < 0.005 ***
Residual 12 0.9761
Signif. codes: 0 *** 0.001 ** 0.01 * 0.05