<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Archiving and Interchange DTD v1.0 20120330//EN" "JATS-archivearticle1.dtd">
<article xmlns:xlink="http://www.w3.org/1999/xlink">
  <front>
    <journal-meta>
      <journal-title-group>
        <journal-title>X. Ge);</journal-title>
      </journal-title-group>
    </journal-meta>
    <article-meta>
      <title-group>
        <article-title>Optimization⋆</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Xinyu Ge</string-name>
          <email>xinyuge@cs.aau.dk</email>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Sadegh Soudjani</string-name>
          <email>sadegh@mpi-sws.org</email>
          <xref ref-type="aff" rid="aff2">2</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Paolo Zuliani</string-name>
          <email>zuliani@di.uniroma1.it</email>
          <xref ref-type="aff" rid="aff1">1</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Department of Computer Science, Aalborg University</institution>
          ,
          <addr-line>Aalborg 9220</addr-line>
          ,
          <country country="DK">Denmark</country>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>Dipartimento di Informatica, Università di Roma “La Sapienza”</institution>
          ,
          <addr-line>Rome 00185</addr-line>
          ,
          <country country="IT">Italy</country>
        </aff>
        <aff id="aff2">
          <label>2</label>
          <institution>Max Planck Institute for Software Systems</institution>
          ,
          <addr-line>Kaiserslautern D-67663</addr-line>
          ,
          <country country="DE">Germany</country>
        </aff>
      </contrib-group>
      <pub-date>
        <year>2025</year>
      </pub-date>
      <volume>000</volume>
      <fpage>0</fpage>
      <lpage>0003</lpage>
      <abstract>
        <p>scheme. Autonomous agents deployed in safety-critical environments must operate with a clear awareness of safety constraints embedded in their dynamics. Barrier certificates (BCs) are a powerful formalism for verifying such safety properties in continuous dynamical systems. However, synthesizing BCs remains a computationally dificult problem. In this work, we propose a novel approach for constructing BCs using the Augmented Lagrangian framework, combined with Bayesian optimization over Gaussian Process models to eficiently guide the search for valid certificates. We demonstrate our algorithm on several test cases, illustrating the success of our proposed Barrier certificate, Dynamical systems, Gaussian process, Safety verification Autonomous agents operating in complex environments must not only achieve task performance but also remain continuously aware of safety constraints that govern their permissible behaviors. Dynamical systems theory, which studies the long-term behavior of evolving systems [1], provides a formal foundation for modeling such agents. This is especially relevant in hybrid systems, where continuous and discrete dynamics interact to define the agent's trajectory in the physical world, as commonly encountered in cyber-physical systems.</p>
      </abstract>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1. Introduction</title>
      <p>https://ge-xinyu.github.io/ (X. Ge); https://hycodev.com/ssoudjani (S. Soudjani); https://pzuliani.github.io/ (P. Zuliani)</p>
      <p>CEUR
Workshop</p>
      <p>ISSN1613-0073
time-delay systems is proposed in [17]. Recent application of barrier certificates for checking properties
of quantum systems is addressed in [18].</p>
      <p>With the advances in learning methods, various data-driven approaches have emerged to address
safety verification and synthesis of autonomous agents, showcasing the potential integration of machine
learning with traditional formal methods. Data-driven abstraction with formal guarantees is studied
in [19, 20] for satisfying temporal specifications. Data-driven reachable set computation with formal
guarantees is studied in [21]. Learning algorithms for computing BCs that are in the form of neural
networks are also proposed [22, 23]. Safety verification of autonomous agents with unknown dynamics
using noisy data from observations, Gaussian process regression, and abstracting the system into a
ifnite Markov model has been studied in [ 24].</p>
      <p>Gaussian process (GP) regression is an eficient and accurate data-driven approach for approximating
computationally complex functions. An advantage of GPs is their ability to ofer an eficient analytical
approximation over the entire domain of the target function. Furthermore, other approaches such
as deep neural networks typically need vast amounts of training data to ensure convergence of the
learning phase. This contrasts with GPs, which in many cases can learn good approximations even
with relatively small quantities of training data. GPs are used in optimization through a Bayesian
approach known as Gaussian process optimization (GPO) [25], which is often more sample-eficient
than traditional optimization methods.</p>
      <sec id="sec-1-1">
        <title>GPs are used for verifying properties of agents with unknown dynamics. The authors of the papers [26, 24, 27] use GPs to learn a model of the agent based on data. This is extended with deep kernel learning in [28], where the GP kernel is augmented with a neural network preprocessing its inherent feature map.</title>
        <p>We concentrate on using GPO for the safety verification of a given autonomous agent through the
computation of BCs. Building upon insights from [29] and leveraging the augmented Lagrangian
framework as described in [30], we propose a framework that transforms the BC synthesis problem
into a constrained optimization problem using the augmented Lagrangian method. Our approach
computes the parameters of a BC from a fixed template through GPO for handling constraints. Given
that the constraints are in the form of parameterized optimizations, we fit a GP to estimate their values
from a finite number of evaluations. This gives a probabilistic interpretation of the constraints, which
are transformed to chance-constraints and subsequently incorporated into a reliability-based design
optimization (RBDO) [31]. We further validate the feasibility and efectiveness of our method through
implementation in three case studies. The main contributions of this article are threefold:
1. We introduce an optimization approach that synthesizes a BC from a parameterized set of functions
for autonomous agents evolving continuously in time. We reconfigure the problem into a robust
parameter optimization task and use augmented Lagrangian.</p>
      </sec>
      <sec id="sec-1-2">
        <title>2. Gaussian process regression and RBDO are utilized to estimate with finite number of evaluations</title>
        <p>the functions appearing as maximum over a continuous domain and satisfy the related constraints.</p>
      </sec>
      <sec id="sec-1-3">
        <title>3. The validity of the computed BCs are formally verified using Satisfiability Modulo Theories (SMT) solvers.</title>
      </sec>
      <sec id="sec-1-4">
        <title>The remainder of this paper is organized as follows. A concise overview of essential details regarding</title>
        <p>safety verification, BCs, and Gaussian process regression is provided in Section 2. Our proposed solution
approach is presented along with the algorithm in Section 3 containing the details of the augmented
Lagrangian, RBDO, and verification of the BC using SMT Solvers. Case studies are provided in Section</p>
      </sec>
      <sec id="sec-1-5">
        <title>4 to illustrate the results with concluding remarks in Section 5.</title>
        <p>2. Preliminaries and Problem Statement
In the following, ℝ denotes the set of real numbers; arg min(⋅)returns an argument that minimizes the
input function, max(⋅)represents the largest value taken by the input function; Φ(⋅)is the cumulative
distribution function of the standard normal distribution, and (⋅) is the probability density function of
the standard normal distribution.
2.1. Autonomous Agents and the Safety Problem
An autonomous agent modeled as a  -dimensional dynamical system over the continuous state space
 ⊂ ℝ  is described by</p>
        <p>̇ =  ( ),
where  = [ 1, … ,   ] is a column vector,  ̇ denotes the derivative of  with respect to time,  ( ) =
[ 1( ), … ,   ( ) ] is a Lipschitz-continuous vector field, and  ⊆ ℝ  is an open set defining the state
space of the system. The region for the initial state of the system  0 is denoted by  0; the unsafe region
of the system is denoted by   .</p>
        <p>
          Definition 1 (Safety verification problem) . Let Ψ( 0, ) be the solution of the state equation (
          <xref ref-type="bibr" rid="ref1">1</xref>
          ) from
initial state  0 at time  ≥ 0 . If the reachable set
satisfies
(
0) ∶= { ∈  |∃  0 ∈  0,  ≥ 0 ∶ Ψ( 0, ) =  }
(
        </p>
        <p>
          0) ∩   = ∅,
then the system (
          <xref ref-type="bibr" rid="ref1">1</xref>
          ) is considered safe. On the contrary, if there exists   ∈  and   ≥ 0 such that
Ψ(  ,   ) ∈ (
        </p>
        <p>0) ∩   , then   is reachable, which indicates the system is unsafe.</p>
      </sec>
      <sec id="sec-1-6">
        <title>In Fig. 1 we depict examples of safe and unsafe systems.</title>
        <p>(a) A safe system
(b) An unsafe system
states  0 (in green), the reachable set (
a trajectory of the system. Panel (1a): if (
0)(in yellow) and the unsafe region   (in red). The arrow represents</p>
        <p>0) does not intersect   , then   is not reachable from  0, and
therefore the system is safe. Panel (1b): if there exists a trajectory that reaches   from  0, then the system is
unsafe.</p>
        <sec id="sec-1-6-1">
          <title>2.2. Barrier Certificate</title>
          <p>
            Due to the dificulty of computing the reachable set (
0), the concept of barrier certificate (BC) [4]
has emerged as an efective way to prove the safety of a system. The idea of a BC is to find a so-called
barrier function that separates the reachable set and the unsafe set of the system, which means there
is no trajectory of the system that reaches   from  0. Thus, as a suficient condition, the system is
considered safe. A BC is a function of state that satisfies a set of inequalities on both the function itself
and its time derivative along the flow of the system [ 4]. We recall that for a continuously diferentiable
function (  ), the gradient of (  ) is defined by the column vector
Definition 2 (Lie derivative). Given a vector field  ( ), the Lie derivative of a continuously diferentiable
function (  ) is defined as the inner product of ∇(  ) and  ( ):
∇(  ) =
(  )
 
= [
(  )
 1
, … ,
(  )
 

(
            <xref ref-type="bibr" rid="ref3">3</xref>
            )
(
            <xref ref-type="bibr" rid="ref4">4</xref>
            )
(
            <xref ref-type="bibr" rid="ref5">5</xref>
            )
Proposition 1 (BCs for Safety Verification[ 4]). Given a system described as in (
            <xref ref-type="bibr" rid="ref1">1</xref>
            ) with sets  0,   , and
 for which there exists a BC, namely a function (  ) that is diferentiable with respect to its argument
and satisfies the following conditions:
(  ) ≤ 0 ∀ ∈  0, (  ) &gt; 0 ∀ ∈   , and (̇  ) ≤ 0 ∀ ∈  ,
(
            <xref ref-type="bibr" rid="ref6">6</xref>
            )
then the safety of the system is guaranteed. That is, there is no system trajectory starting from an initial
state in  0 and reaching a state in   .
          </p>
        </sec>
      </sec>
      <sec id="sec-1-7">
        <title>The verification problem statement is as follows:</title>
        <p>Input: A dynamical system  ̇ =  ( ), initial region  0, unsafe region   and state space  .</p>
      </sec>
      <sec id="sec-1-8">
        <title>Problem: Synthesize a BC (  ) that guarantees the safety of the system within  .</title>
      </sec>
      <sec id="sec-1-9">
        <title>The notion of BC has played a predominant role in the investigation of dynamical systems, particularly</title>
        <p>for safety verification. A BC represents a formal proof of safety for the system. For a system that is
safe, the existence of multiple BCs is plausible: multiplying a BC with a positive constant will give
another BC, and the set of BCs is a convex set meaning that any convex combination of BCs is again a</p>
      </sec>
      <sec id="sec-1-10">
        <title>BC. These are immediate from (6).</title>
        <sec id="sec-1-10-1">
          <title>2.3. Gaussian Process Regression</title>
          <p>Gaussian process regression (GPR) is an approach for non-parametric Bayesian inference on functions
over continuous domains [32]. Theoretical and practical developments over the last decade have made
GPR a suitable approach for machine learning applications, in particular when training data are limited
or costly. This non-parametric approach assumes that a function  ∶  → ℝ
is a Gaussian process (GP)
meaning that its values at any  ∈  is a random variable that is distributed according to a Gaussian
distribution. Therefore, the full probabilistic information on the function is characterized by a mean
function (  ) and a covariance function (  ,  ′), defined as follows:</p>
          <p>(  ) = [(  )] and (  ,  ′) = [((  ) − (  ))(( ′) − (  ′))].</p>
        </sec>
      </sec>
      <sec id="sec-1-11">
        <title>Such a GP gives the prior distributions on (⋅) and is denoted by</title>
        <p>(  ) ∼  ((</p>
        <p>), (  ,  ′)).</p>
        <p>When a set of  observations  = [ 1,  2, … ,   ] on the values of the function (⋅) at data points
[ 1, … ,   ] is available, the posterior distribution conditioned on the training data (̂  |) , is again a GP
with mean  ̂ and variance  ̂:
 =̂  ( ) −1</p>
        <p>and  =̂ (  ,  ) − ( ) −1 ( )</p>
        <p>A frequently used covariance function is the squared exponential function
with the covariance matrix  ∶= [(   ,   )]

,=1 and the vector  ( ) ∶= [( ,  1), … , (  ,   )].</p>
        <p>
          (   ,   ) =   2 exp(−||  −   ||2 )
likelihood estimation.
with prior variance   2 and scaling matrix  . The scaling matrix  , such as diag(1/12, … , 1/ 2), assigns
individual scaling factors to each component of the vector  . The vector of length scales  1, … ,   , and
  2 are called hyperparameters, which are typically tuned through methodologies such as maximum
(
          <xref ref-type="bibr" rid="ref7">7</xref>
          )
(
          <xref ref-type="bibr" rid="ref8">8</xref>
          )
(
          <xref ref-type="bibr" rid="ref9">9</xref>
          )
(
          <xref ref-type="bibr" rid="ref10">10</xref>
          )
arg min (  )

..  1( ) ≤ 0,  2( ) &lt; 0,  3( ,  ) ≤ 0,
where
and  (  ) is described as
 ∈ 0
        </p>
        <p>∈ 
 1( ) ∶= max (  ,  ),  2( ) ∶= max −(  ,  ), and  3( ,  ) ∶= max (̇  ,  ),
 ∈Δ( )
 (  ) = −∏ | 1 −  2 |.</p>
        <p>=1
 ⊆ Δ(  ),
For simplicity, the constraints in (14) are denoted collectively as   ( ,  ),  = 1, 2, 3 , even though  1 and  2
do not depend on  .</p>
      </sec>
      <sec id="sec-1-12">
        <title>The objective of the optimization in (12) is to maximize the size of the hyperrectangle Δ( ) while ensuring that  satisfies ( 13). As showed in Fig. 2, if there exist  and  such that (13) holds with then (6) holds with (  ,  ). That is to say, (  ,  ) is a valid BC for the system, which is thus safe.</title>
      </sec>
    </sec>
    <sec id="sec-2">
      <title>3. Solution Approach</title>
      <p>The construction of barrier functions is often not simple. For barrier functions that are polynomials
with unknown coeficients, the verification problem is transformed into obtaining the value of said
coeficients. In this section, as a first step, we transform the problem into an optimization problem on
the coeficients and state. Then, we propose a computational method and illustrate the algorithm.</p>
      <p>Let (  ,  ) denote a polynomial with fixed structure, where  is the vector of parameters in  ,
and</p>
      <p>= [ 1, … ,   ] are the polynomial variables;  = [ 11,  12, … ,  1 ,  2 ] is a 2 vector; Δ( ) is a
hyperrectangle with edges that are parallel to the parameter axes defined as</p>
      <p>Δ( ) = { ∈  |  1 ≤   ≤  2 ,  = 1, … , }.</p>
      <sec id="sec-2-1">
        <title>We aim at finding parameters  that maximize the volume of Δ( ), in order to find a BC that proves</title>
        <p>
          the system’s safety on the largest possible space. Reworking the general constraints described by (
          <xref ref-type="bibr" rid="ref6">6</xref>
          ),
we present the optimization problem on variables  with parameters  and  :
and employ GPR for generalizing its finite evaluation to the whole state space.
(
          <xref ref-type="bibr" rid="ref11">11</xref>
          )
(12)
(13)
(14)
(15)
(16)
3.1. Augmented Lagrangian with Gaussian Process Regression
Augmented Lagrangian is used primarily for constrained nonlinear optimization [30]. This gives the
following objective function for an unconstrained optimization
(  ,  ,  , ) =  (  ) +∑    ( ,  ) +
∑max(0,   ( ,  ))2,
where the first term  (  )is the objective function of the original constraint optimization (12). The second
term encodes the functions   ( ,  ) in the three constraints with coeficients   ≥ 0 called Lagrangian
multipliers. The third term encodes the requirements on the functions   ( ,  ) to be negative with the
coeficients
        </p>
        <p>&gt; 0 being penalty parameters that penalize the positive values of   ( ,  ).</p>
        <p>The functions   ( ,  ) in (14) do not admit a closed-form solution in general since they are in the form
of parameterized maximization over a continuous domain. Therefore, we move towards using Gaussian
process regression that can build a likelihood for the values of such functions when a finite number
of evaluations of these functions is available. Denote by  ̂ ( ,  ) the GP model of   ( ,  ) and define the
following objective function based on the expectation of the assigned GPs:
3
=1
3
=1</p>
        <p>3
1
2 =1</p>
        <p>3
1
2 =1
(17)
(18)
(19)
(20)
(21)
for some small admissible failure probability  
. To handle such chance constraints, so-called
reliability-based design optimization (RBDO) [31] approaches are employed that are capable of
considering constraints on the failure probability. Numerical methods for RBDO are studied previously, e.g.,
in [31]. The core idea is to estimate the failure probability (i.e., the complement of the right-hand side
of (20)) using Monte Carlo estimation
  ( ,  ) ≈</p>
        <p>∑ ( ̂  ( ,  ) &gt; 0),
Then the diference   ( ,  ) −</p>
        <sec id="sec-2-1-1">
          <title>3.3. Optimization Algorithm</title>
          <p>where (⋅) is the indicator function and  ̂ ,  = 1, 2, … ,  , are the samples drawn from the GP model  ̂ ( ,  ).</p>
          <p>has to be negative and is considered as part of the optimization.</p>
          <p>The constructed optimization approach is presented in Algorithm 1. The details of the algorithm and
its subroutines are given as follows with a flowchart of the algorithm presented in Figure 3.
Initialization The initialization consists of: 1) selecting values for the Lagrange multipliers  =
[ 1,  2,  3] and the penalty factor  ; 2) randomly sampling ( ,  ) over their domain and forming the
initial dataset  ; 3) computing the functions   ( ,  ) on  and storing the values in a set  .
where the GP model  ̂ ( ,  ) has the mean  ̂ ( ,  ) and variance  ̂ ( ,  ), and we have from [30] that
[ ̂</p>
          <p>( ,  )] =  ̂( ,  ),
[ max(0,   ̂( ,  ))2] = ̂ 2( ,  )[(1 +
 ̂ ( ,  ))2Φ(
 ̂ ( ,  )
 ̂ ( ,  )
 ̂ ( ,  )
) + (
 ̂ ( ,  )
 ̂ ( ,  )
)].</p>
        </sec>
        <sec id="sec-2-1-2">
          <title>3.2. Reliability-based Design Optimization</title>
          <p>By interpreting the values of the functions in the constraint as Gaussian random variables, the constraints
can no longer be hold, but need to be interpreted probabilistically and hold with a high probability.
Therefore, the constraint   ( ,  ) ≤ 0 can be replaced with
  ( ,  ,  , ) = (  ) +∑   [ ̂
 ( ,  )] +</p>
          <p>∑ [ max(0,   ̂( ,  ))2],
Prob(  ̂( ,  ) ≤ 0) ≥ 1 −  
factor when the constraints are violated in new data points. The iterations are performed until an  ∗ is
found that satisfies ( 16) and (13).</p>
          <p>Loop 2 (lines 6-13) The inner loop solves the maximization in (18) on  and  , given the most recent
candidates for  and  from the outer loop. The optimization (line 10) is done using Bayesian optimization,
during which GP models of   ( ,  )are learned. Then  ′ is included in the dataset (line 14). With updated
  ′( ,  ,  , ) (line 15), the iterations are performed until an ideal  ∗ is found or   ′ does not improve over

 with current  and  .
reasonable time constraints.</p>
        </sec>
      </sec>
      <sec id="sec-2-2">
        <title>In practice, the implementation of Algorithm 1 employs a further parameter that caps the number of iterations, to prevent untimely or prolonged execution, ensuring acceptable performance within</title>
        <sec id="sec-2-2-1">
          <title>3.4. Verifying the BC Using SMT Solvers</title>
          <p>
            In order to verify the BC computed by the optimization algorithm, Satisfiability Modulo Theories
(SMT) solvers [33, 34] are employed for formally checking the validity of the BC. An SMT solver is a
tool for deciding correctly, i.e., without numerical errors, the satisfiability of a logical formula over a
mathematical theory, e.g., linear real arithmetic. In our case, each negated constraint can be seen as a
formula that we aim to refute (which means the constraint is satisfied). Define the logical formula
(∃ ∈  0, −(  ) &lt; 0) ∨ (∃ ∈   , (  ) ≤ 0) ∨ (∃ ∈  , − (̇  ) &lt; 0),
(22)
which is the negation of constraints in (
            <xref ref-type="bibr" rid="ref6">6</xref>
            ). Hence, a candidate BC is verified when the SMT solver
returns unsatisfiable for the logical formula in (22). Barrier certificates reported in the case study section
of this paper are verified by the SMT solvers Z3 and dReal [ 33, 34].
          </p>
        </sec>
      </sec>
    </sec>
    <sec id="sec-3">
      <title>4. Case studies</title>
      <p>In this section, we present four case studies that demonstrate the validity of our approach. All
experiments are performed with Matlab R2025a with an Apple M3, 24 GB RAM Macbook Air. The estimation
The defined objective function</p>
      <p>!(, , , )</p>
      <p>Choose a new set of data " = (", ")
Add ′ into the data set and observe c# ′</p>
      <p>Update !" ", ", , 
No</p>
      <p>Does !" ", ", ,  have no
improvement over !?</p>
      <p>Loop 1</p>
      <p>Loop 2
Update ,</p>
      <p>No</p>
      <p>Yes</p>
      <p>An ideal (′, )
Yes</p>
      <p>Does c! ′ meet (13) and (16)?
1 Select initial values for the Lagrange multipliers  = [ 1,  2,  3] and the penalty factor  ;
2 Select a dataset  by randomly choosing ( ,  );
3 Compute the functions   ( ,  ) using (14) on  and store the values in a set  ;
4 Compute the augmented Lagrangian   ( ,  ,  , ) on the dataset  ;
5 if   ( ,  ) meet (13) and Δ( ) meets (16) for some ( ,  ) ∈  then
7 end
8 repeat

∗ ← ( ,  )
repeat
6
9
10
11
12
13
14
15
16
17
18</p>
      <p>Select a new  ′ = ( ′,  ′) by maximizing (18);
if   ( ′) meet (13) and Δ( ′) meets (16) then

∗ ←  ′ ;
end
 ←  ∪</p>
      <p>′,  ←  ∪ 
update the Lagrangian  ′</p>
      <p>( ′,  ′) ;
until   ≤   ′ or  ∗ ≠ ∅;
  ← max(0,   +   ( ′, ′) ) ;</p>
      <p>Set  ←
2
1  if   ( ′,  ′) &gt; 0
19 until  ∗ ≠ ∅;</p>
      <p>Output:  ∗ = ( ∗,  ∗) satisfying (13) and (16).
20 Verify that (13) is satisfied with 
∗ = ( ∗,  ∗) using SMT solvers;
 ( ,  ,  , ) with the GPs on the new dataset ;
of hyperparameters for the GPR is executed using the fitrgp function in MATLAB with its default
settings.</p>
      <p>Case 4.1. Consider the two-dimensional system
the BC is polynomial as (  ,  ) =  1 12 +  2 2 +  3.
with initial set  0 = [−1, 1] × [−1, 1], unsafe set   = [−1, 1] × [3, 5], and  = [−5, 5] × [−5, 5] . Assume</p>
      <sec id="sec-3-1">
        <title>For this case study, two experiments are conducted as Row 1 and Row 2 in Table 1. In Row 1, the</title>
        <p>value of the   ’s are   ∈ {−1, −12 , 0, 12 , 1} for  = 1, 2, 3 , thereby resulting in 53 = 125 data points for the
initial dataset  . However, the algorithm terminates at the 27th data point, returning a valid result well
component of  . The  ∗ column reports [ ∗,  ∗] returned by Algorithm 1.</p>
        <p>Barrier Certificate Synthesis using Algorithm 1. The   column shows the initial dataset for each
Row</p>
        <p>Case Study
1
2
3
4
5</p>
        <p>Case 1
Case 1
Case 2


{−1, −12 , 0, 1 , 1}</p>
        <p>2
{−1, 0, 1}
{−12 , 0, 1 }</p>
        <p>
          2
{−1, 0, 1}
{−1, 1}
 ∗ = [ ∗,  ∗] = [⏟⏟−⏟⏟1⏟⏟.⏟3⏟9⏟⏟9⏟3⏟⏟,⏟2⏟.⏟4⏟⏟4⏟9⏟⏟2⏟,⏟−⏟⏟⏟2⏟.⏟9⏟6⏟⏟46, ⏟−⏟⏟⏟9⏟.⏟3⏟9⏟⏟7⏟7⏟⏟,⏟5⏟.⏟2⏟⏟6⏟8⏟⏟1⏟,⏟−⏟⏟9⏟⏟.4⏟⏟5⏟9⏟⏟0⏟,⏟7⏟⏟.1⏟⏟6⏟3⏟0],
 ∗
 ∗
 ∗
system, and the system is safe.
which is listed in Table 1 Row 3. Therefore, the BC (  ) = −0.2465 12 − 0.6794 1 2 − 0.8787 1 −
1.1328 2 − 0.8086 satisfies the condition (13) for Δ( ) = [−4.9977, 4.8801] × [−4.9696, 4.7986]that covers
75 , 2] × [−75 , 1 ]. Hence, (
          <xref ref-type="bibr" rid="ref6">6</xref>
          ) holds for the candidate (  ) with the given  . Thus, it is a BC for the
2
Case 4.3. The complex structure of the human brain, with billions of neurons and trillions of synaptic
connections, presents a modeling challenge. The Wilson-Cowan (WC) model [36] is a neurophysiological
model that captures the brain’s function through simplified diferential equations grounded in
neurophysiological principles. The WC model has shown correlation with experimental evidence, afirming its utility
in studying neurological phenomena, including epilepsy. As mentioned in [37], the presence of seizure
activity in a specific brain region is considered an unsafe state of the model. As such, it is important to
study whether for a given combination of initial state and parameters the WC model is safe, i.e., it shows
no seizures. With the parameters set in [37], the system is described as
 1̇ =
 2̇ =
        </p>
        <p>
          1
which means that the candidate BC (  ) = −1.3993 12 + 2.4492 2 − 2.9646 meets (13) for Δ( ) =
[−9.3977, 5.2681] × [−9.4590, 7.1630], which covers  = [−5, 5] × [−5, 5] . Hence, (
          <xref ref-type="bibr" rid="ref6">6</xref>
          ) holds for the
computed (  ) with the given  . Thus, it is a valid BC for the system, which indicates the system is
safe. In Figure 4 (top panels) we depict the results of Row 2 of Table 1.
        </p>
        <p>Case 4.2. Consider the two-dimensional system
with initial set  0 = {( 1 − 1.5)2 +  22 ≤ 0.25}, unsafe set   = {( 1 + 1)2 + ( 2 + 1)2 ≤ 0.16}, and
57 , 2] × [−75 , 12 ]. Assume the BC is a polynomial as (  ) =  1 12 +  2 1 2 +  3 1 +  4 2 +  5.</p>
        <p>
          Due to the conservativeness of the convex condition, the method based on the condition (
          <xref ref-type="bibr" rid="ref6">6</xref>
          ) succeeded
only in one case (degree = 4) borrowed from [35]. Instead, here we employ the exponential conditions
from (
          <xref ref-type="bibr" rid="ref3">3</xref>
          ) in [35], where (̇  ,  ) − (  ,  ) ≤ 0, for all  ∈  , with  = −1 . The algorithm’s output is
 ∗ = [ ∗,  ∗] = [⏟⏟−⏟⏟0⏟⏟.2⏟⏟4⏟6⏟⏟5⏟,⏟−⏟⏟0⏟⏟.6⏟⏟7⏟9⏟⏟4⏟,⏟−⏟⏟0⏟.⏟8⏟⏟7⏟8⏟7⏟⏟,⏟−⏟⏟1⏟.⏟1⏟3⏟⏟2⏟8⏟⏟,⏟−⏟⏟0⏟.⏟8⏟0⏟⏟86, ⏟−⏟⏟⏟4⏟.⏟9⏟9⏟⏟7⏟7⏟⏟,⏟4⏟.⏟8⏟⏟8⏟0⏟⏟1⏟,⏟−⏟⏟4⏟⏟.9⏟⏟6⏟9⏟⏟6⏟,⏟4⏟⏟.7⏟⏟9⏟8⏟6],
as (  ) =  1 1 +  2 2 +  3.
where  1 and  2 are the populations of excitatory and inhibitory neurons, respectively;  1,  2 represent
disturbances to the input of  1,  2, respectively, and are both in [−0.2, 0.2]. In our experiments we set
 0 = [0, 15 ] × [45 , 1],   = [31 , 21 ] × [13 , 21 ], and  = [0, 12 ] × [13 , 1]. Assume the BC is a polynomial structured
As shown in Table 1 Row 4, the algorithm returns
        </p>
        <p>∗ = [ ∗,  ∗] = [⏟0⏟.⏟7⏟⏟6⏟5⏟⏟4⏟,⏟−⏟⏟2⏟⏟.⏟7⏟8⏟5⏟⏟8⏟,⏟⏟1⏟.⏟8⏟0⏟⏟12, ⏟−⏟⏟⏟1⏟.⏟8⏟2⏟⏟1⏟0⏟⏟,⏟2⏟.⏟2⏟⏟3⏟8⏟⏟3⏟,⏟−⏟⏟0⏟⏟.0⏟⏟9⏟4⏟⏟5⏟,⏟1⏟⏟.4⏟⏟8⏟3⏟3]
afirming that (  ) = 0.7654 1 − 2.7858 2 + 1.8012 fulfills condition (13) for Δ( ) = [−1.8210, 2.2383] ×
[−0.0945, 1.4833], which covers  = [0, 1
2</p>
        <p>
          ] × [13 , 1]. Consequently, (
          <xref ref-type="bibr" rid="ref6">6</xref>
          ) is satisfied for the computed (  )
under the given  , which makes it a valid BC for the system. In Figure 4 (mid panels) we display the
BC found and the output of several intermediate steps performed by our synthesis algorithm.

∗
green boxes and ovals: initial region  0; red boxes and ovals: unsafe set   ; black line: state space  ; blue dashed
rectangles: Δ( ); purple lines: graph defined by (  ) = 0. Left-hand side column: final results of BC synthesis
corresponding to Rows 2 (top), 3 (middle), and 5 (bottom) in Table 1, using the color legend above. Right-hand
side column: intermediate steps of the BC synthesis leading to the final output displayed in the corresponding
graph in the left-hand side column.
        </p>
        <p>Case 4.4. The Moore-Greitzer jet engine model is described as
Assume the BC is a polynomial as (  ) =  1 12 +  2 1 2 +  3 22 +  4.
with initial set  0 = [0.1, 0.5] × [0.1, 0.5], unsafe set   = [0.7, 1] × [0.7, 1], and  = [0.1, 1] × [0.1, 1] .</p>
      </sec>
      <sec id="sec-3-2">
        <title>Our algorithm’s output is</title>
        <p>
          ∗ = [ ∗,  ∗] = [⏟1⏟⏟,⏟1⏟⏟,⏟1⏟⏟,⏟−⏟ 1, 0⏟⏟.⏟1⏟,⏟⏟1⏟,⏟⏟0⏟.⏟1⏟⏟,1],
 ∗

∗
Therefore, the BC (  ) = 2 12 + 2 1 2 + 2 22 − 2 satisfies the condition (13) for Δ( ) = [0.1, 1] × [0.1, 1,]
which covers  . Hence, (
          <xref ref-type="bibr" rid="ref6">6</xref>
          ) holds for the candidate (  ) with the given  . Thus, it is a BC for the system,
and the system is safe.
CPU time statistics for 100 runs, compared to PRoTECT with the cvxopt solver.
        </p>
        <p>Our Work</p>
      </sec>
      <sec id="sec-3-3">
        <title>Compared with Table 1 Row 4, the initial dataset is derived from the mesh grid of  with a step size</title>
        <p>of 2 in Row 5. Consequently, the initial dataset comprises 8 data points instead of 27. Notably, despite
the reduction in the size of the dataset, the algorithm consistently returns valid results, of course at the
expense of a higher number of iterations and thus higher CPU time. In Figure 4 (bottom panels) we
display the BC found for Row 5 of Table 1.</p>
        <p>The barrier certificates reported in Table 1 are verified by the SMT solvers Z3 [ 34] and dReal [33].
Specifically, according to the applicability, for polynomial-based Cases 4.1,4.2 and 4.4, the Z3 solver [34]
was employed. For Case 4.3, which has transcendental elements, the dReal solver [33] was utilized for
verification. Note that the
unsatisfiable</p>
        <p>answer by dReal is formally correct.</p>
      </sec>
      <sec id="sec-3-4">
        <title>Using a small-sized initialization and generating the dataset internally, the case studies demonstrate</title>
        <p>both the efectiveness of our approach. An insightful observation from the provided table highlights that,
even for the same system, distinct initializations yield diferent results. Compared with computation
time in the order of hours in [37] in the case study 4.3, our method successfully computes a BC over a
bounded state space, requiring only a small dataset and computation times in the order of minutes on a
standard laptop.</p>
      </sec>
      <sec id="sec-3-5">
        <title>The hyperparameters are reported in Table 2. The statistics of the CPU times are reported in Table 3 and is compared against PRoTECT [38]. Note that PRoTECT is developed only for polynomial systems with sets in the form of intervals. Therefore, it cannot handle Case 2 and 3. In contrast, our approach, while being slower on polynomial cases, can handle more general nonlinear systems and sets.</title>
      </sec>
    </sec>
    <sec id="sec-4">
      <title>5. Conclusion</title>
      <p>In this paper, we proposed an optimization method for computing barrier certificates that give guarantees
on safety of dynamical systems. The optimization utilizes the augmented Lagrangian framework and
Gaussian process regression to eficiently represent black-box functions appearing in the constraints.
The dataset needed for training the Gaussian process are sequentially generated based on Bayesian
optimization and the augmented Lagrangian. The performance of the proposed optimization on the
case studies shows that the method returns results with small-size samples, which are generated
automatically, thus reducing the computational time from hours to minutes on the tested case studies.</p>
      <sec id="sec-4-1">
        <title>The computed barrier certificates are verified a posteriori using solvers from Satisfiability Modulo</title>
        <p>Theory. Our approach currently assumes the system dynamics are known and replaces the parameterized
optimizations in the barrier certificate conditions with black-box functions that can be evaluated a finite
number of times. In the future, we plan to relax this assumption by treating the system as a black-box
model and couple the current optimization approach directly to the data gathered from the system.</p>
      </sec>
    </sec>
    <sec id="sec-5">
      <title>Acknowledgments</title>
      <p>P. Zuliani is supported by the SERICS project (PE00000014) under the Italian MUR National Recovery
and Resilience Plan funded by the European Union - NextGenerationEU. X. Ge is supported by the
Independent Research Fund Denmark 10.46540/3120-00041B. S. Soudjani is supported by the grants EIC
101070802 and ERC 101089047.</p>
    </sec>
    <sec id="sec-6">
      <title>Declaration on Generative AI</title>
      <p>During the preparation of this work, the authors did not use Generative AI for preparation of our work.
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