Dynamical Tensor Approximation
Dynamical Tensor Approximation
Abstract. For the approximation of time-dependent data tensors and of solutions to tensor
differential equations by tensors of low Tucker rank, we study a computational approach that can
be viewed as a continuous-time updating procedure. This approach works with the increments
rather than the full tensor and avoids the computation of decompositions of large matrices. In this
method, the derivative is projected onto the tangent space of the manifold of tensors of Tucker
rank (r1 , . . . , rN ) at the current approximation. This yields nonlinear differential equations for the
factors in a Tucker decomposition, suitable for numerical integration. Approximation properties of
this approach are analyzed.
Key words. low-rank approximation, time-varying tensors, continuous updating, Tucker de-
composition, tensor differential equations
DOI. 10.1137/09076578X
∗ Received by the editors July 21, 2009; accepted for publication (in revised form) by L. De
Lathauwer April 23, 2010; published electronically July 15, 2010. This work was supported by the
Austrian Academy of Sciences’ APART program and by DFG, SPP 1324.
[Link]
† Institute for Analysis and Scientific Computing, Vienna University of Technology, Wiedner
Germany (lubich@[Link]).
2360
This is complemented with an initial condition, ideally Y(0) = X(0). Note that for
given Y(t), the derivative Ẏ(t) is obtained in (1.2) by a linear projection, though
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onto a state-dependent vector space. Problem (1.2) yields an initial value problem of
nonlinear ordinary differential equations on Mr , which becomes numerically efficiently
accessible as differential equations for the factors in the Tucker decomposition of
tensors of Tucker rank (r1 , . . . , rN ).
In a different context, a closely related approach was developed in the multicon-
figuration time-dependent Hartree method of multiparticle quantum dynamics [2, 13],
where the multidimensional time-dependent wave function is approximated by a linear
combination of products of functions depending only on a single spatial variable.
We will study theoretical properties of the dynamical tensor approximation (1.2)
in this paper: in section 2 we derive the differential equations that are to be solved
numerically, and after an auxiliary section on the tangent space projection (section
3) we study approximation properties in section 4. Some numerical experiments are
given in section 5 (see also [14] for further numerical experiments with time-dependent
3-tensors that arise from a discretized reaction-diffusion PDE in 3 space dimensions).
The present paper extends the dynamical low-rank approximation of matrices,
studied in our paper [7], to tensors. Though there are many conceptual similarities
with the matrix case, the analysis of the tensor case is not simply a straightforward
extension and therefore requires a careful discussion. While we have kept the general
organization of the paper largely parallel to [7] to make similarities and differences
easily visible, we note that the material in section 2 is quite apart from the matrix
case in both notation and techniques, and the analysis of the tangent space projection
in section 3 requires different arguments. Once the projection estimates from section
3 are available, some of the results in section 4 then have essentially the same proof
as the corresponding results in the matrix case (Theorems 4.1 and 4.2), whereas the
proof of Theorem 4.3 follows a different line.
2. Differential equations for dynamical tensor approximation.
2.1. Prerequisites. We use the tensor notation of the review article [8], to
which we refer for further details, results, and numerous references.
Norm and inner product of tensors. The norm of a tensor Y ∈ RI1 ×···×IN is
the Euclidean norm of the vector y that carries the entries yi1 ,...,iN of Y. The inner
product X, Y of two tensors X, Y ∈ RI1 ×···×IN is the Euclidean inner product of the
two corresponding vectors x and y.
Unfolding and reconstruction. The nth unfolding of a tensor Y ∈ RI1 ×···×IN is
the matrix Y (n) ∈ RIn ×In+1 ...IN I1 ...In−1 that aligns all entries yi1 ,...,iN with fixed in in
the in th row of the matrix, ordered lexicographically. We denote
Y (n) = [Y](n) ,
and clearly the tensor Y can be reshaped from its unfolding Y(n) : we write
Y = [Y (n) ](n) .
The n-mode product. For a tensor Y ∈ RI1 ×···×IN and a matrix V ∈ RJn ×In , the
n-mode product
Y ×n V ∈ RI1 ×···×In−1 ×Jn ×In+1 ×···×IN
is defined by the relation
(2.1) [Y ×n V](n) = VY (n) .
where the core tensor S ∈ Rr1 ×···×rN is of full Tucker rank r = (r1 , . . . , rN ), and the
(n)
matrices Un ∈ RIn ×rn have orthonormal columns ujn (jn = 1, . . . , rn ). In terms
of the entries of S = (sj1 ,...,jN ), the above expression can be rewritten as a linear
combination of rank-1 tensors that are formed as the outer products of the column
vectors:
(1) (N )
Y= sj1 ,...,jN uj1 ◦ · · · ◦ ujN .
j1 ,...,jN
S̃ Xn=1 Ũn .
N
N
N
Rr1 ×···×rN × TUn VIn ,rn → TY Mr × so(rn ),
n=1 n=1
N
N
(Ṡ, U̇1 , . . . , U̇N ) → Ṡ X Un + S ×n U̇n X Uk , UT1 U̇1 , . . . , UTN U̇N .
n=1 k=n
n=1
This linear map turns out to be an isomorphism, since its inverse can be constructed
explicitly by an argument similar to the proof of (2.7) below. Hence, every tangent
tensor Ẏ ∈ TY Mr is of the form
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N
N
(2.5) Ẏ = Ṡ X Un + S ×n U̇n X Uk ,
n=1 k=n
n=1
where Ṡ ∈ Rr1 ×···×rN and U̇n ∈ TUn VIn ,rn . Moreover, it follows that Ṡ and U̇n
are uniquely determined by Ẏ and the chosen S and Un in (2.3) if we impose the
orthogonality constraints
We now show that then Ṡ and U̇n are actually given by the following formulas:
N
Ṡ = Ẏ X UTn ,
(2.7) n=1
U̇n = P⊥
n Ẏ X UTk S†(n)
k=n (n)
† −1
with the projection P⊥
n = I − Un Un and the pseudoinverse S(n) = S(n) S(n) S(n)
T T T
.
The rn × rn matrix S(n) ST(n) is invertible since S(n) is of rank rn by assumption.
Proof of (2.7). When we multiply (2.5) by Xn=1 UTn , then we obtain by (2.2)
N
and the orthogonality relations UTn Un = I and (2.6) the first equation of (2.7). For
the second equation, we multiply (2.5) by Xk=n UTk , and again using (2.2) and the
orthogonality relations we obtain
By the equation for Ṡ and once again (2.2), the first expression on the right-hand side
becomes
Taking the n-mode unfolding on both sides of (2.8) and rearranging terms then gives
Multiplying this relation from the right with S†(n) yields the second equation of (2.7).
2.4. Dynamical tensor approximation. We now turn to the approxima-
tion (1.2) of time-dependent tensors A(t). The minimization condition (1.2) on
the tangent space is equivalent to an orthogonal projection: find Ẏ ∈ TY Mr
r1 ×···×rN
1, . . . , N , with core tensor S ∈ R and n-mode factors Un ∈ RIn ×rn having
orthonormal columns, condition (1.2) or (2.9) is equivalent to
N
N
(2.10) Ẏ = Ṡ X Un + S ×n U̇n X Uk ,
n=1 k=n
n=1
where the factors in the decomposition satisfy the system of differential equations
N
Ṡ = Ȧ X UTn ,
(2.11) n=1
U̇n = ⊥
Pn Ȧ X UTk S†(n)
k=n (n)
with the projection P⊥n = I − Un Un onto the orthogonal complement of the range of
T
† −1
Un and with the pseudoinverse S(n) = ST(n) S(n) ST(n) of the n-mode unfolding S(n)
of S.
Equations (2.11) are formally like (2.7), with Ẏ replaced by Ȧ.
The differential equations (2.11) are solved numerically, starting from an approx-
imation to the tensor A(0) at the initial time given in the low-rank Tucker format.
Notice that a time step with these differential equations requires no decompositions of
large matrices (the matrices S(n) ST(n) are of small dimension rn × rn ). The main com-
putational work is in the computation of the dimension-contracting n-mode products
appearing on the right-hand side of (2.11). These require inner products of length
In and can exploit possible sparsity in Ȧ(t) so that only the actually time-varying
entries of A(t) are addressed.
Proof. We know from section 2.3 that Ẏ can be written in the form (2.10) with
U̇n satisfying the orthogonality condition (2.6). Choosing V = T Xn=1 Un ∈ TY Mr
N
r1 ×···×rN
with an arbitrary T ∈ R , we have
N
N
Ȧ, T X Un = Ȧ X UTn , T ,
n=1 n=1
N
Ẏ, T X Un = Ṡ, T .
n=1
Since this holds for every T ∈ Rr1 ×···×rN , (2.9) yields the first equation of (2.11).
We now choose V = S ×n Vn Xk=n Uk , which is in TY Mr if Vn satisfies the
orthogonality relation UTn Vn = 0. We then have
Ȧ, S ×n Vn X Uk = Ȧ X UTk , S ×n Vn
k=n k=n
= Ȧ X UTk , Vn S(n) = Ȧ X UTk ST(n) , Vn ,
k=n (n) k=n (n)
where the matrix inner product in the second line is the Frobenius inner product. On
the other hand we have, using (2.10) and the orthogonality relations,
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Ẏ, S ×n Vn X Uk = Ṡ ×n Un + S ×n U̇n , S ×n Vn
k=n
for all Vn with UTn Vn = 0, that is, for all matrices Vn = (I − Un UTn )Wn with an
arbitrary matrix Wn ∈ RIn ×rn . We therefore obtain
Since UTn U̇n = 0 by condition (2.6), this yields the second equation of (2.11).
Remark 2.1. Related differential equations were derived earlier in the chemical
physics literature in [2] for the multiconfiguration time-dependent Hartree method
of quantum mechanics, where an approximation to the multivariate wave function is
sought for in the form of a linear combination of products of univariate functions.
Remark 2.2. In this paper we deal only with the Tucker format of tensor approx-
imation. Another familiar format is the canonical format (for tensors of canonical
rank K)
K
(1) (N )
A(t) ≈ vk (t) ◦ · · · ◦ vk (t),
k=1
(n)
where no orthogonality relation is required between the vectors vk (t). While this
approach appears attractive in that it has no built-in exponential scaling with the
order N of the tensor, it leads to a number of theoretical difficulties even in the time-
independent approximation problem [15] and does not appear to lend itself to the
dynamical tensor approximation approach. The set of all tensors of canonical rank
K does not have a manifold structure that allows us to give differential equations for
(n)
the vectors vk (t) such that the analogue of (1.2) is fulfilled.
Remark 2.3. The dynamical tensor approximation approach for the Tucker format
can be extended to the hierarchical tensor format described in [2, 4, 12, 18], which has
only cubic scaling with N . This is, however, outside the scope of the present paper.
3. Tangent space projection and curvature bounds. In operator notation,
(2.9) can be written as
(3.1) Ẏ = P(Y)Ȧ ,
where P(Y) is the orthogonal projection onto the tangent space TY Mr . For a the-
oretical understanding of the dynamical low-rank approximation, an analysis of the
Pn = Un UTn , P⊥n = I − Pn ,
†
Qn = Uk S(n) S(n) UTk ,
k=n k=n
N
N (n)
(3.2) P(Y)B = B X Pn + P⊥
n B(n) Qn
n=1
n=1
N N
N
P(Y)B = B X UTn X Un + S ×n P⊥
n B X UTk S†
(n) (n)
X Uk
n=1 n=1 k=n k=n
n=1
N N
(n)
=B X Pn + P⊥
n B(n) Uk S†(n) S(n) UTk ,
n=1
n=1 k=n k=n
where P⊥ (X) = I − P(X) is the projection onto the orthogonal complement of the
tangent space TX Mr .
Proof. (a) Writing X ∈ Mr in Tucker form as X = S Xn=1 Un , we note that the
N
1 1 1
S†(n) = = ≤ .
σrn (S(n) ) σrn (X(n) ) ρ
|σrn (X̃(n) ) − σrn (X(n) )| ≤ X̃(n) − X(n) 2 ≤ X̃(n) − X(n) F = X̃ − X,
†
and hence X̃ = S̃ Xn=1 Ũn with S̃(n) ≤ 2ρ−1 .
N
A smooth such decomposition exists at least for small τ , but the arguments below
show that it exists in fact for 0 ≤ τ ≤ 1. We denote
P(X)Ẏ(τ ) = Δ.
Ẏ ≤ 2δ .
This yields Y(τ ) − X ≤ 2δ for 0 ≤ τ ≤ 1, and for the Tucker factors of Y(τ ) =
S(τ ) Xn=1 Un (τ ) with UTn U̇n = 0, we therefore have by (2.7)
N
Ṗn ≤ 2γ .
1
The operator norm of P(Y(τ )) − P(X) thus does not exceed 2 for 0 ≤ τ ≤ 1 if
1
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δ ≤ cρ with c = ,
16 N (N + 3)
for t ≤ t and as long as the right-hand side remains bounded by cρ. Here, C and c
are the constants of Lemma 3.2.
Proof. With Lemma 3.2 at hand, the proof is essentially the same as that of
Theorem 5.1 in [7]. The error of the best approximation X − A is orthogonal to
the tangent space TX Mr , or, equivalently, P(X)(X − A) = 0. We differentiate this
relation with respect to t and denote (P (X) · B)Ẋ = dt
d
P(X(t))B to obtain
We subtract this equation from (3.1), viz., Ẏ = P(Y)Ȧ, and integrate from 0 to t. As
long as e(t) := Y(t) − X(t) ≤ cρ, Lemma 3.2 yields
where X(t) ∈ Mr (now this need not necessarily be the best approximation) with
(4.4) Ẋ(t) ≤ μ
(4.5) Ė(t) ≤ ε
provided that t ≤ cρ
2ε and t ≤ t. The constants C and c are those of Lemma 3.2.
Proof. The proof follows that of Theorem 5.2 in [7]. We note Ẋ = P(X)Ẋ, rewrite
(3.1) as Ẏ = P(Y)Ẋ + P(Y)Ė, and subtract the two equations. We observe
2 dt dt
Taken together, we obtain for e(t) = Y(t) − X(t) the differential inequality
ė ≤ γe2 + ε, e(0) = 0,
with γ = C 2 ρ−2 μ. Hence, e(t) is majorized by the solution of
ẏ = γy 2 + ε, y(0) = 0,
√ √
which equals y(t) = ε/γ tan(t γε) and is bounded by 2tε for t γε ≤ 1. Lemma 3.2
remains applicable as long as 2tε ≤ cρ.
4.3. Systems without gaps between the singular values. The results of
the preceding subsections only give satisfactory error bounds when there is a gap in
the distribution of the singular values of the unfoldings so that essential and inessential
singular values are widely separated. We now consider a situation where such a gap
need not exist. We make the assumptions of Theorem 4.2 and further that X(t) ∈ Mr
with all singular values of all unfoldings greater than ρ > 0 has a Tucker decomposition
N
(4.6) X(t) = S(t) X Un (t)
n=1
Under these conditions we can show an O(ε) error over times O(1) even with ρ ∼ ε.
Theorem 4.3. Under the conditions of Theorem 4.2 and with (4.6)– (4.7), the
approximation error of (1.2) with initial value Y(0) = X(0) is bounded by
1 ρ
Y(t) − X(t) ≤ 2tε for t ≤ √
c1 κ + c2 ν ε
with constants c1 and c2 that depend only on the order N . This holds as long as the
right-hand side remains bounded by cρ with c of Lemma 3.2.
Proof. From the proof of Theorem 4.2 we have the equation
(4.8) Y − X, Ẏ − Ẋ = −P⊥ (Y)(Y − X), P⊥ (Y)Ẋ + Y − X, P(Y)Ė.
For e(t) = Y(t)− X(t) ≤ cρ, the proof of Lemma 3.2 shows that there is a homotopy
N
Y(t, τ ) = S(t, τ ) X Un (t, τ )
n=1
with
Y(t, 1) = Y(t), Y(t, 0) = X(t) ,
for which the Tucker factors are bounded by
∂S
(t, τ ) ≤ 2e(t),
∂τ
∂U
n
(4.9) (t, τ ) S(n) (t, τ ) ≤ 2e(t),
∂τ
∂U
(t, τ ) ≤ 4e(t)ρ−1 ≤ 4c .
n
∂τ
We write
N
N
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⊥ ⊥
P (Y(t))Ẋ(t) = P (Y(t)) Ṡ(t, 0) X Un (t, 0) + S(t, 0) ×n U̇n (t, 0) X Uk (t, 0)
n=1 k=n
n=1
N
N
− Ṡ(t, 0) X Un (t, 1) + S(t, 1) ×n U̇n (t, 0) X Uk (t, 1) ,
n=1 k=n
n=1
noting that P⊥ (Y(t)) annihilates the terms in the second line, since they are in TY Mr .
We then have
N N
Ṡ(t, 0) X Un (t, 1) − Ṡ(t, 0) X Un (t, 0)
n=1 n=1
1 ∂ N
= Ṡ(t, 0) X Un (t, τ ) ∂τ
0 ∂τ n=1
N
1
∂Un
= Ṡ(t, 0) ×n (t, τ ) X Uk (t, τ ) dτ
0 ∂τ k=n
n=1
N 1
∂Un
≤ (t, τ ) Ṡ(n) (t, 0) Uk (t, τ )T dτ
0 ∂τ
n=1 k=n
N 1
∂Un †
≤ (t, τ ) S(n) (t, 0) · S(n) (t, 0) Ṡ(n) (t, 0) dτ .
0 ∂τ
n=1
Writing
τ
∂Un ∂Un ∂Un ∂S(n)
(t, τ ) S(n) (t, 0) = (t, τ ) S(n) (t, τ ) − (t, τ ) (t, σ) dσ
∂τ ∂τ ∂τ 0 ∂σ
and using the bounds (4.7) and (4.9) thus yields
N N
Ṡ(t, 0) X Un (t, 1) − Ṡ(t, 0) X Un (t, 0) N ≤ 2e(t) + 8ce(t) κ = c̃1 κe(t)
n=1 n=1
with c̃1 = N · (2 + 8c). In the same way, the remaining terms in the above expression
for P⊥ (Y(t))Ẋ(t) are bounded by c̃2 νe(t), and hence we have
Using this inequality in (4.8) and also the second estimate of Lemma 3.2, we obtain
the differential inequality, as long as e(t) ≤ cρ,
(4.10) ė ≤ γe2 + ε
with γ = ρ−1 C(c̃1 κ + c̃2 ν). With c1 = Cc̃1 and c2 = Cc̃2 , the result now follows as at
the end of the proof of Theorem 4.2.
4.4. Low-rank approximation of tensor differential equations. For the
low-rank approximation to a solution of the tensor differential equation
(4.11) Ȧ = F (A),
for all tensors X, Y ∈ Mr . We further assume that for the best approximation X(t),
P(Y)F (Y) − P(X)F (A) − D = (P(Y) − P(X))F (X) + P(X)(F (X) − F (A))
+ (F (Y) − F (X)) − P⊥ (Y)(F (Y) − F (X)) − D,
and take the inner product with Y − X. With Lemma 3.2 we obtain
where we now take the inner product with Y − X. If it is additionally assumed that
F has Lipschitz constant L, then this leads to the differential inequality
With γ = Cρ−1 (β + L) and ε = ε + L max0≤t≤t d(t), and with ϕ(x) = (ex − 1)/x, this
yields the error bound
100
eps=1e−1
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eps=1e−2
10 eps=1e−3
eps=1e−4
eps=1e−5
1
Error
1e−1
1e−2
1e−3
Fig. 5.1. Error of the approximation of rank (10, 10, 10, 10) for A from (5.1) with ε ∈
{10−5 , 10−4 , 10−3 , 10−2 , 10−1 }. Interval t ∈ [0, 1], step size h = 10−4 .
1800
1600 DLRTen
ALS
1400
1200
computation time
1000
800
600
400
200
0
0 2000 4000 6000 8000 10000 12000
time step
Fig. 5.2. Comparison of the computation times for dynamical low-rank tensor approximation
(DLRTen) and pointwise approximation by alternating least squares (ALS). Approximations of rank
(10, 10, 10, 10) for A from (5.1) with ε = 10−2 . Interval t ∈ [0, 1], step size h = 10−4 .
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