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<article xmlns:xlink="http://www.w3.org/1999/xlink">
  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Linearization and Model Reduction in Zonotope-Based Reachability Analysis of Nonlinear ODEs</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Michele Boreale</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Luisa Collodi</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Università di Firenze</institution>
          ,
          <addr-line>Dipartimento di Statistica, Informatica, Applicazioni “G. Parenti”, V.le Morgagni 65, 50134</addr-line>
          ,
          <country country="IT">Italy</country>
        </aff>
      </contrib-group>
      <abstract>
        <p>We report on recent work [16] on the reachability analysis of nonlinear ordinary diferential equations ( odes). Relying on Carleman linearization and Krylov projection, we describe a method that, given a nonlinear ode system, generates a small linear approximation of the original dynamics. The construction is independent of the initial condition. Used in conjunction with zonotopes, this yields CKR, an accurate reachability analysis algorithm.</p>
      </abstract>
      <kwd-group>
        <kwd>eol&gt;Nonlinear ODEs</kwd>
        <kwd>reachability</kwd>
        <kwd>zonotopes</kwd>
        <kwd>Carleman linearization</kwd>
        <kwd>Krylov spaces</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1. Introduction</title>
      <p>
        for global approximation of nonlinear odes by linear odes, based on polyflows . These are systems that
are exactly linearizable via a change of variables. The technique in [28] is based on building polyflows
that approximate the original system, using as a basis the Lie derivatives up to some order  and as
 → +∞ the approximation of [28] becomes exact. Note that this is an asymptotic result that does
not easily yield concrete bounds for a fixed  . Systems that are exactly linearizable via polynomial
changes of variables are the subject of [
        <xref ref-type="bibr" rid="ref8">35, 36, 8</xref>
        ]; see also [
        <xref ref-type="bibr" rid="ref11 ref7 ref9">9, 7, 11</xref>
        ].
      </p>
      <p>
        In [
        <xref ref-type="bibr" rid="ref8">8</xref>
        ] we have considered Carleman embedding and Krylov-based approximations, essentially from a
local point of view. Here, we provide novel analyses of both local and global errors, and leverage them
in ckr, a new reachability algorithm. General error bounds for the truncated Carleman linearization
have been recently considered in [
        <xref ref-type="bibr" rid="ref4">4, 25</xref>
        ]. The time interval of validity of these bounds is quite small,
and they appear to be in practice more conservative, contrary to ours. In [26], eficient reachability for
weakly nonlinear, dissipative systems relying on Carleman linearization is presented. In the conference
version [
        <xref ref-type="bibr" rid="ref13">13</xref>
        ] an earlier, less stable version of CKR, based on polytopes, is considered.
      </p>
      <p>
        In the field of reachability for continuous and hybrid systems, state-of-the-art tools like Flow * [23]
and cora [
        <xref ref-type="bibr" rid="ref2">2</xref>
        ] employ a mix of approximations techniques [
        <xref ref-type="bibr" rid="ref1 ref2 ref3">30, 22, 23, 2, 1, 3</xref>
        ]. In particular, Flow* [22, 23]
is based on Taylor models, while cora mainly relies on linearization of the ode equations [
        <xref ref-type="bibr" rid="ref1 ref3">1, 3</xref>
        ].
      </p>
      <p>
        The investigation reported here is part of a broader research agenda, aimed at integrating formal
methods for dynamical and safety-related systems [
        <xref ref-type="bibr" rid="ref10 ref11 ref7 ref8 ref9">8, 7, 9, 10, 11</xref>
        ] with aspects concerning, in perspective,
quantitative security [
        <xref ref-type="bibr" rid="ref18 ref19 ref20">19, 20, 18</xref>
        ], distributed execution with notions of failure and recovery [
        <xref ref-type="bibr" rid="ref12">12</xref>
        ],
probabilistic programming, testing and verification [
        <xref ref-type="bibr" rid="ref14 ref15 ref17">17, 31, 14, 15</xref>
        ].
      </p>
    </sec>
    <sec id="sec-2">
      <title>2. Carleman Linearization and Reduction via Krylov Projection</title>
      <p>We introduce a linearization method for system (1) that is strongly related to Carleman embedding [29]
and then discuss an approach to reduce the dimension of the linearized system. For  = (1, ..., ) a
vector of state variables, we consider a system of odes</p>
      <p>˙ =  ()
where  = (1, ..., ) is a vector field of locally Lipschitz analytic functions defined on some open
subset Ω ⊆ R. For 0 ∈ Ω, we let (; 0) be the unique solution of the ode system with the initial
condition (0) = 0: the unique solution exists and is real analytic (Picard-Lindelöf theorem).</p>
      <p>For a real analytic function  defined on some open subset of R that includes the trajectories (; 0)
for 0 ∈ Ω, we will be interested in studying the observable of the system (2) via , that is the function
 ∘ (; 0) = ((; 0)). Recall that ℒ () := ⟨∇,  ⟩ = ∑︀ 
=1  ·  is the Lie derivative of  (w.r.t.</p>
      <p>ℒ(+1)() := ℒ (ℒ()()). We shall
()() is the -th Lie derivative, defined inductively by
 ), and ℒ
omit the subscript  whenever it is understood from the context.</p>
      <p>Let us fix a set  = { 1,  2, ...} of functions   : R → R. For instance  might be all monomial
functions. We assume that there are unique  = ( 1, ...,   ) ∈ R and basis vector  := ( 1, ...,   )
such that</p>
      <p>= ∑︁    =</p>
      <p>=1
where  is any observable function. Otherwise, all we require from the functions in  is that they are
analytic1, and that the Lie derivative of each   can in turn be expressed as a unique linear combination
of elements from : ℒ( ) = ∑︀≥ 1    . We let  denote the  ×  matrix of the coeficients 
for 1 ≤ ,  ≤  , and  be the  ×  matrix of possibly nonzero elements , = ,+ ; that is, 
is chosen large enough to ensure that, for 1 ≤  ≤  , we have  = 0 for each  &gt;  + . We let
 =△ ( +1, ...,  +) . The Carleman linearization (or embedding) of (2) is given by the following
linear system in the variables  = (1, ...,  ) and initial condition</p>
      <p>˙ =  +  ((; 0)) (4)
1This can be weakened to analyticity in some open set containing all the trajectories (; 0) for 0 ∈ Ω.
(2)
(3)
(0) =  (0) =: 0 . (5)
The following result is an almost immediate consequence of the existence and uniqueness of the solution
of odes (Picard-Lindelöf). For a detailed proof, see [8, Th.3].</p>
      <p>Theorem 1 (Carleman linearization). Let 0 ∈ Ω. Then  ((; 0)) is the unique solution of the system
(4) with (0) as in (5).</p>
      <p>Note that we cannot explicitly build the system (4), as the function  ((; 0)) is in general not available.
This leads us to consider an approximation where we neglect the “remainder”  ((; 0)), the truncated
Carleman linearization of dimension</p>
      <p>˙ =  (0) = 0(=  (0)) . (6)</p>
      <p>Now, we discuss a method to reduce the dimension of (6), while keeping certain, still local, accuracy
guarantees. Fix  = ⟨,  ⟩ ( ∈ R ), an observable of interest, as in (3). We consider the -dimensional
Krylov space2 generated by  and  , that is the subspace of R</p>
      <p>:= span{,  , ( )2, ..., ( )− 1} .</p>
      <p>Let  = [1| · · · | ] be an orthonormal basis of , represented as a  ×  matrix. Consider the
projection of  onto  and represent it w.r.t. the basis  , that is the  ×  matrix
 :=     .</p>
      <p>Given a vector of  distinct state variables  = (1, ..., ) , we let the reduced linear system derived
from (4) and the corresponding initial condition, derived from (5), be defined as:</p>
      <p>˙ =  (7)
(0) =   0 =: 0 .</p>
      <p>Note that the reduced equations (7) do not depend on 0 ∈ Ω. Informally speaking, the solution (; 0)
of the reduced system describes the evolution of the vector  ((; 0)), projected onto the subspace
, in the coordinates of the basis  . We note that there exists a well-known algorithm for the eficient,
“on the fly” construction of the matrices , , the Arnoldi iteration [34]. Recalling that  = ⟨,  ⟩ it
is natural to consider the following approximation of ((; 0)).</p>
      <p>Definition 1 (reduced observable dynamics). For each 0 ∈ Ω and 0 =   0, we define the function:
(; 0) :=   (; 0) .</p>
      <p>̂︀
In fact, we will see that 1 = /||||2, while  is orthogonal to  for  &gt; 1. Hence (8) can be simplified
to
(; 0) = ||||2 1(; 0) .</p>
      <p>̂︀
In order to study the quality of this approximation, we introduce the error function relative to 
(8)
(9)
 (; 0) := ((; 0)) − ̂︀(; 0) .</p>
      <p>The following result confirms that this error is small near  = 0. Indeed, the Taylor expansions of
(; 0) and ((; 0)) up to order  − 1 coincide:
̂︀
Theorem 2. For each 0 ∈ Ω, the function  (; 0) is () around  = 0.</p>
      <p>Explicit local bounds of the error function can be obtained from the Taylor theorem with remainder
in Lagrange form, assuming we can construct validated enclosures  and  of ( ;  ) and dd ( ;  ),
̂︀
respectively, for (,  ) ranging in a small set — which is possible by standard techniques, see e.g. [33]
and references therein. Under suitable, stability conditions, also a global bound of the error function  
can be given. Let  denote the projection of   onto ⊥, the orthogonal complement of , and
define the remainder function as ℎ() :=  () +  (). Then, for any  &gt; 0 such that ( ; 0)
is defined for  ∈ [0, ] and assuming additionally  is stable, we can prove
∫︁ 
| (; 0)| ≤ || ||2</p>
      <p>|ℎ(( ; 0))| d
0
where  &gt; 0 is a constant independent of . Qualitatively speaking, (10) says that, for a stable , the
behaviour of the global error is determined by |ℎ(( ; 0))|: if this function decays fast enough to be
integrable over [0, +∞), then  (; 0) will be globally bounded.
(10)
2For an introduction to Krylov spaces, see e.g. [34].</p>
    </sec>
    <sec id="sec-3">
      <title>3. Application to Reachability Analysis</title>
      <p>We will apply the outlined linearization scheme to compute an approximation (; 0) of the flow
̂︀
(; 0), and then use it to compute an overapproximation of the reachable set of the nonlinear system
(1) at fixed times: 1, 2, .... This goal will be achieved by applying the scheme of Section 2 to each
of the observable functions  = , for  = 1, ...,  in turn. Using the notation in that section, for
each  = 1, ..., , let () the coeficient vector of  in the chosen basis  , that is  = ()  , and
 (), () the corresponding basis and reduced matrix. We define the approximate flow by ̂︀(; 0) :=
(̂︀1(; 0), ..., (; 0)) where, as an instance of (9), we have
̂︀</p>
      <p>̂︀(; 0) := ||()||2 1()(; 0) ( = 1, ..., ) (11)
with ()(; 0) the solution of the linear initial value problem (7) for  = . As the
solution of a linear system of odes, each component in (11) can be written explicitly as ̂︀(; 0) =
||()||2 ︀( e() ︀) 1 ()  (0) for  = 1, ..., , where (e(· ))1 denotes the first row of the exponential
matrix. Note that, as a function of 0, for a fixed , (; 0) is a linear combination of the components of the
̂︀
basis  (0). It is also convenient to introduce the following error vector:  (; 0) := (; 0) − ̂︀(; 0).</p>
      <p>In what follows, we will consider the case where an initial set 0 is given, rather than an individual
initial state 0. The general idea of the algorithm is to use ̂︀(Δ; · ) to propagate a reachset from one time
point to the next, by a time-step of Δ. The propagated set needs then to be ‘inflated’ to compensate
for approximation errors. The concrete way in which propagation and inflation are carried out will
depend on the representation that will be adopted for sets of reachable states. We will give a generic
description of the method, independent of the type of representation. Then we will instantiate it to a
concrete method by considering a specific set representations, zonotopes [27].</p>
      <p>Let 0 be a compact set of initial states and  &gt; 0 be such that ( ; 0) is well-defined for each
0 ∈ 0 and  ∈ [0, ]. In the interval [0, ], choose  time points 0 = 0, 1, · · · ,  = , with
Δ :=  − − 1 &gt; 0 for 1 ≤  ≤  . The algorithm, which we christen ckr for Carleman-Krylov
Reachability, builds a sequence of compact sets 0, 1, ...,  ⊆ R, the reachsets, s.t.
(a)  is an overapproximation of the set of reachable states at time :  ⊇ (; 0) = {(,  ) :
 ∈ 0}, in particular 0 = 0;
(b)  belongs to a pre-specified class of compact subsets of R, say  (e.g. polytopes, zonotopes,...).
The method essentially applies three set operations on R to build  given − 1:
• propagation: propagates linearly a reachset − 1 from − 1 to , thus obtaining ̃︀;
• enclosure computation: generates a compact set  that includes the error vector  at ;
• inflation : computes a bloated version  of the propagated reachset ̃︀ that includes ̃︀ + ,
where + denotes here Minkowski sum3.</p>
      <p>
        A formal description of these operations, as well as a proof of correctness of the general method, can be
found in the journal version [
        <xref ref-type="bibr" rid="ref16">16</xref>
        ].
      </p>
      <p>
        Now, let us consider a specific set representation: zonotopes. Given a column vector  ∈ R (center)
and a matrix formed by  ≥ 1 column vectors  = [1| · · · | ] ∈ R×  (generators), the corresponding
3For ,  ⊆ R,  +  := { +  :  ∈ ,  ∈ }.
zonotope is the set Z(, ) := { +  ·  :  ∈ [
        <xref ref-type="bibr" rid="ref1">− 1, 1</xref>
        ]} ⊆ R. We represent the initial set as
well as the successive reachsets 0, 1, 2, ... as zonotopes Z(, ), such that, for a fixed integer 
( ≤  ≤ 2),  ∈ R×  has row rank  (i.e.  is full rank). Informally speaking, the basic idea is
to use the maps  ↦→ ̂︀(Δ;  ) ( = 1, 2, ...) to propagate a zonotope − 1 = Z(, ) from time − 1
to time . We first build an auxiliary ̃︀ by propagating − 1 as if the map (Δ; · ) were linear. In
̂︀
more detail, we determine the auxiliary zonotope ̃︀ := Z(, ‹) by taking as  the center of mass of
̃︀ ̃︀
the 2 vectors obtained by linear propagation, 1± := (Δ;  ± 1), ..., ± := ̂︀(Δ;  ± ), and then
̂︀
choosing the generators ̃︀ ’s from the ‘direction’ vectors ± − ̃︀
. To obtain , we ‘stretch’ the resulting
̃︀, by multiplying the generators ̃︀ ’s by suitable factors  * ’s, so as to compensate for approximation
and linearization errors (see Figure 1). Error compensation is based on the fact that, for each vector
 ∈ ̂︀(Δ; − 1) + , we can compute a solution  ∈ R of the system ‹ + ̃︀ =  using the
pseudoinverse of ‹, and can then maximize  componentwise. See [
        <xref ref-type="bibr" rid="ref16">16</xref>
        ] for a detailed description.
4. Reachsets: Comparison with Flow* and cora
Flow* [23] and cora [
        <xref ref-type="bibr" rid="ref2">2</xref>
        ] are state-of-the-art tools for reachability analysis; they are quite efective at
building (over-approximations of) reachsets. In [
        <xref ref-type="bibr" rid="ref16">16</xref>
        ], we have compared the reachsets  produced by
ckr with those produced by Flow* and cora on diferent benchmarks drawn from [
        <xref ref-type="bibr" rid="ref5">5, 21</xref>
        ]: Jet Engine,
Brusselator, Van Der Pol, Lorenz, Roessler, coupled Van Der Pol and Lotka-Volterra.
      </p>
      <p>
        We quantify the accuracy of the returned sequence of reachsets using two diferent measures: (1) the
volume of the final reachset ; (2) only for cora and CKR, the average volume of the reachsets at times
0, ...,  =  . ckr is extremely accurate for all the models we have considered. In particular the final
reachsets produced by ckr are tighter than those produced by the other two tools in all cases, often
significantly so. With one exception, ckr is the most accurate algorithm, also when considering average
accuracy across diferent examples. In terms of execution time, Flow * is the most efective tool on the
considered examples. ckr times are in line with, or at least comparable with, Flow* ’s. As an example,
we report in Fig. 2 a graphical comparison of the reachsets produced by the three algorithms when
applied to the Van der Pol system. Numerical values and full details on experiments can be found in
[
        <xref ref-type="bibr" rid="ref16">16</xref>
        ].
      </p>
      <p>10
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Acknowledgments Work partially supported by the project SERICS (PE00000014), EU funded NRRP
MUR program - NextGenerationEU.</p>
    </sec>
    <sec id="sec-4">
      <title>Declaration on Generative AI</title>
      <p>The authors have not employed any Generative AI tools.
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