A new analytical envelope
for multivariate global optimizationThanks: ∗Faculty of Natural and Life Sciences, University of Batna 2, Batna City,
Algeria, e-mail: d.aaid@univ-batna2.dz, ORCID: https://orcid.org/0000-0002-2426-2959
Abstract.
We propose a new global optimization method that combines an –dense univariate reduction with explicitly constructed analytical envelopes: a piecewise concave underestimator (PCU) and a piecewise convex overestimator (PCO). By leveraging interval-based curvature bounds, the method provides rigorous global optimality certificates. An adaptive branch-and-bound strategy ensures rapid convergence by refining intervals based on theoretical envelope widths. Numerical experiments on challenging nonconvex and multimodal benchmarks demonstrate strong performance and efficiency.
Key words and phrases:
global optimization; analytical envelopes; concave underestimators; convex overestimators; interval analysis; dimension reduction; branch-and-bound; deterministic methods.2005 Mathematics Subject Classification
90C26; 65K05; 65G30; 49M37; 90C301. Introduction
Deterministic global optimization remains a central topic in numerical analysis and applied mathematics, with a wide range of applications across science and engineering. Foundational monographs such as Floudas [7] and Locatelli–Schoen [11] provide comprehensive overviews of key approaches, including spatial branch-and-bound, interval methods, Lipschitz-based schemes, and convex or concave relaxations. Despite these advances, obtaining tight global bounds for nonconvex problems in moderate to high dimensions remains a major challenge in the field.
A particularly influential class of relaxations is based on convex underestimation. The BB method developed by Adjiman, Androulakis, and Floudas [4, 5] constructs a convex quadratic lower bound by augmenting the Hessian with diagonal shifts. This paradigm has since been extended through more refined DC relaxations, including recent developments by Strahl, Raghunathan, and Sahinidis [16]. Other underestimation techniques include the DCU method for univariate optimization introduced by Chang, Park, and Lee [6], as well as the convex quadratic relaxations of Le Thi and Ouanes [10]. A broader survey of convex underestimation methods is available in Skjäl [15].
Interval-based global optimization techniques also play a crucial role, particularly for their ability to provide rigorous bounds. Notable examples include the classical one-dimensional algorithm by Sergeyev [13], geometric Lipschitz-based methods by Kvasov and Sergeyev [9], and the homogeneity framework proposed by Sergeyev, Kvasov, and Mukhametzhanov [14]. More recent strategies include the Lipschitz global optimization methods of Malherbe and Vayatis [12] and the constrained Lipschitz-gradient approach of Vinod, Israel, and Topcu [17]. For a comprehensive overview, see the tutorial by Horst [18].
Another direction of research focuses on reducing multivariate problems to univariate ones. Meta-algorithmic frameworks following this idea were recently studied by Gökçesu and Gökçesu [8]. Earlier work by Aaid and collaborators developed constructive transformations for dimensionality reduction, enabling global optimization in the univariate setting [2, 3]. These transformations generate an –dense curve through the domain, aiming to ensure that the global minimizer of the original multivariate function is well approximated by that of the corresponding one-dimensional surrogate.
Building on this reduction approach, the present work introduces a new analytical framework for univariate global optimization. Specifically, we construct a piecewise concave underestimator (PCU) and a piecewise convex overestimator (PCO), both derived explicitly from interval bounds on the second derivative of the reduced function. These constructions yield a pair of rigorous analytical envelopes satisfying
with computable curvature parameters. When combined with an adaptive branch-and-bound scheme that refines the interval exhibiting the largest theoretical envelope gap, the method produces rapidly shrinking global bounds and provable optimality gaps.
The main contributions of this article are as follows:
- •
We derive explicit PCU and PCO envelopes from interval curvature bounds, providing rigorous concave and convex relaxations.
- •
- •
We introduce an adaptive refinement strategy that targets the interval with the largest theoretical envelope width, accelerating convergence.
- •
Our numerical experiments show that the method performs well on various challenging benchmark problems, including those with moderate to high dimensions, especially when the reduction and subdivision settings are chosen carefully.
It is important to note that the efficiency of the proposed framework depends on how the reduction parameters are chosen especially the density parameter and the frequency sequence. Also, the univariate reduction does not remove the inherent complexity of the original multivariate problem.
The remainder of the paper is organized as follows. Section 2 presents the dimension reduction framework. Section 3 introduces analytical envelopes. Section 4 describes the adaptive branch-and-bound algorithm. Section 5 provides numerical experiments and comparisons with existing global optimization methods. Section 6 concludes with directions for future research.
2. Preliminaries
We consider the global optimization problem
where the objective function is assumed to be twice continuously differentiable.
2.1. Reductive Transformation via –Dense Curves
Following the framework introduced in [2, 3], we consider a one-dimensional parametric curve defined by
where and are frequency and phase parameters chosen to control the geometry of the curve. Since , it follows that for all .
We denote by
the image (or trace) of the curve, and define the corresponding univariate surrogate objective as
| (1) |
Clearly, if is a (global) minimizer of , then is a candidate global minimizer of over .
2.2. –Dense Curves and Reduction Error
Definition .
A set is said to be –dense in if for every , there exists such that
In particular, we say that the curve is -dense in if it satisfies this property.
The key idea behind this construction is that, for appropriate choices of , , and , the curve can be made -dense in . As a result, minimizing the reduced function over the interval gives a good approximation of the original optimization problem over , with the accuracy directly influenced by the selected density parameter .
Theorem 1 (Reduction Error Bound).
Assume that is -dense in , and that is Lipschitz continuous on with Lipschitz constant . Define
Then the reduction error satisfies the bound
| (2) |
The accuracy of the reduced formulation is directly influenced by the density parameter . Smaller values of improve the approximation of the original problem but may increase the complexity of the reduced one, due to a larger required range for and increased oscillations of the curve . In particular, ensuring -density may demand a large , depending on the dimension and frequency sequence.
Thus, the univariate reduction shifts rather than removes the original problem’s complexity. The method’s efficiency depends on balancing approximation accuracy and computational cost. We now focus on deriving tight bounds for on and integrating them into a branch-and-bound framework.
Choice of the density parameter .
The parameter controls the approximation quality of the reduction. By Theorem 1, the error is bounded by . If is unknown, it can be estimated via interval gradients or can be adjusted empirically.
Smaller improves accuracy but increases computational cost due to larger and curvature. A balance must be struck between precision and efficiency.
3. Materials and Methods
3.1. Local Construction of a PCU Bound on an Interval
Let be twice continuously differentiable. Consider a partition
and fix an interval
Define the linear shape functions on :
and the linear interpolant
Assume that we know a lower curvature bound on , namely
for some real constant (possibly negative). We define the local PCU (Piecewise Concave Underestimator) on by
| (3) |
Theorem 2 (Local Concave PCU Bound).
Assume and
with . Then, for every ,
- 1)
(valid lower bound),
- 2)
is concave on , i.e.
Proof.
1) Valid lower bound. Let
By the standard interpolation error formula, for each there exists such that
Since on and , we obtain
Thus
which can be rewritten as
By definition from Equation 3, the left-hand side is , hence
2) Concavity. Since is affine on , . We have
so
Therefore
Hence
which proves that is concave on . ∎
3.2. Global Piecewise Concave Underestimator
Let
be a partition of . On each interval , the local PCUi is defined as in Theorem 2:
where satisfies
We define the global PCU on by
Theorem 3 (Global PCU Properties).
Under the above assumptions, the global function satisfies:
- a)
(Global lower bound)
- b)
(Interpolation at the nodes)
- c)
(Continuity and piecewise concavity) is continuous on and is concave on each interval .
Proof.
At the endpoints of we have
and
because the quadratic term vanishes at and and interpolates at the nodes. In particular, for ,
so the left and right pieces coincide at every interior node.
From (2), the left and right limits of at each node coincide and are equal to , so is continuous on . On each subinterval , we have and Theorem 2 gives
hence is concave on each . ∎
3.3. Local Construction of a PCO Bound on an Interval
We keep the same setting as in the local PCU construction. Let be twice continuously differentiable, and consider an interval
The linear interpolant of on is
where
Assume that there exists such that
We define the local PCO (Piecewise Convex Overestimator) on by
where
Theorem 4 (Local PCO Bound).
Assume and on . Then, for every ,
- a)
(valid upper bound),
- b)
is convex on .
Proof.
Let
As in the proof of Theorem 2, there exists such that
Hence
The quadratic term attains its maximum at the midpoint , with value
Therefore
In particular,
which proves that is a valid upper bound on .
For convexity, note that is affine on and is a constant shift. Thus is affine on , hence convex. ∎
3.4. Global Piecewise Convex Overestimator
We define the global PCO on by
Theorem 5 (Global PCO Properties).
Assume and, for each , there exists such that
Then the global function satisfies:
- 1)
(Global upper bound)
- 2)
(Continuity at the nodes) If the constants are chosen such that
then
and is continuous on .
- 3)
(Piecewise convexity) On each subinterval , the restriction is convex.
Proof.
At each node , we have
and similarly
with the convention that is only valid for . If the constants are chosen so that
then the left and right limits of coincide at each node , making continuous on . In particular, if we impose and the recursion
we obtain and
For each , the function is affine on (as is affine and is constant), hence convex. Thus on each , the restriction is convex, which proves that is piecewise convex on . ∎
3.5. Bilateral PCU–PCO Envelope and Gap Estimate
Assume and a partition
On each , suppose that
with and .
The local PCU and PCO are
and the global PCU, PCO are defined by
Theorem 6 (Bilateral Envelope and Local Gap).
Under the above assumptions, one has:
- 1)
For all ,
- 2)
For every and all ,
Proof.
Fix and .
1) Bilateral bounds.
Define the interpolation error
There exists such that
Since ,
From ,
so
i.e.
By definition of ,
From ,
Moreover,
so
Thus
i.e.
Therefore, on ,
By the global definition of PCU and PCO on , this yields
2) Local gap estimate.
For , we have
Since and , it follows that
and therefore
Moreover,
which implies that
Using and the identity , we obtain
Thus, for every ,
By the global definition,
∎
4. Global Branch-and-Bound Scheme in the Reduced Space
In this section, we present a deterministic branch-and-bound scheme tailored to the reduced one-dimensional optimization problem.
where and is the –dense parametric transformation introduced in the previous section. The bounds used in the algorithm are given by the piecewise concave underestimator (PCU) and the piecewise convex overestimator (PCO), both analytically constructed based on interval curvature bounds.
4.1. Interval Partition and Bounds
Let be the list of active intervals at iteration . Each element is a closed interval
On each , we define:
Since is concave on each base subinterval and is convex (piecewise affine), these local problems reduce to endpoint evaluations on each primitive subinterval. More precisely, if is contained in a single mesh interval used in the construction of PCU and PCO, then:
since a concave (resp. convex) function attains its minimum (resp. maximum) on an interval at one of the endpoints.
In practice, when overlaps several mesh intervals , we refine along the mesh nodes so that each branch-and-bound subinterval is a union of such primitive pieces; the above formulas then apply on each piece.
We maintain the global lower and upper bounds at iteration :
4.2. Branch-and-Bound Algorithm in the –Space
Let be a prescribed tolerance. The algorithm starts from the initial interval
4.3. Adaptive Gap-Based Branch-and-Bound in the Reduced Space
We use the same curvature bounds and the maximal theoretical gap
where is the length of and is always contained in a single base mesh interval .
The initial interval is uniformly subdivided into subintervals
and the local PCU/PCO bounds and gaps are computed on each .
Moreover, at each branching step, the selected interval is subdivided into equal subintervals.
4.4. Convergence of the Branch-and-Bound Scheme
We show that the above algorithm converges to the global minimum of on .
Let
Theorem 7 (Global Convergence in the Reduced Space).
Assume and that, for each mesh interval , there exist with
Then the branch-and-bound Algorithm 1 generates sequences and such that
and
In particular, for any , the algorithm terminates in a finite number of iterations with an –optimal solution.
Proof.
(continued on p. 18)
Thus, for every iteration ,
and
Hence
Step 2. Refinement and vanishing gap. At each branching step, an interval is split into two subintervals of length , where . Thus the maximal length of intervals in ,
satisfies
so that
Step 3. Limit of the global gap. At iteration , the global gap satisfies
Since every interval length in is bounded by and , it follows that
Combined with , this implies
Step 4. Finite termination for a given . Since the global gap converges to , there exists such that
At that iteration, the algorithm stops by the termination condition in Algorithm 1, and any selected from the interval attaining is –optimal. ∎
4.5. Interval-Based Computation of Curvature Bounds
In practice, the local curvature bounds and on each interval are obtained by interval analysis applied to the second derivative of the reduced function .
Recall that
where and denote the gradient and the Hessian of , respectively.
4.5.1. Interval Enclosures for , ,
On each , using standard interval arithmetic for the trigonometric functions we compute interval vectors
such that
More precisely, for each coordinate
we compute interval bounds
for , then propagate these bounds to obtain . Differentiating,
and, again by interval evaluation of and on , we obtain intervals and , which yield and .
4.5.2. Interval Enclosures for and
Let
be the interval box containing all points with . Using interval arithmetic (or any sound automatic differentiation / interval Hessian procedure), we compute an interval vector and an interval matrix
such that
4.5.3. Interval Enclosure for
For , one has
Let , , and be arbitrary. We define the interval
By interval arithmetic, we can compute an enclosing interval
such that
We then set
Theorem 8 (Soundness of Interval Curvature Bounds).
For each , the interval computed by interval arithmetic satisfies
so that
In particular, the assumptions of Theorem 6 hold with these values of and .
Proof.
By construction of , , , , , we have, for every ,
Hence
by the soundness of interval arithmetic. By definition of and ,
∎
Remark on curvature growth and subdivision complexity.
From the expression
we see that the curvature of can grow with the frequency parameters , since and . Higher frequencies may thus lead to larger interval curvature bounds , looser PCU–PCO envelopes, and finer subdivisions to maintain accuracy.
This highlights a trade-off: higher frequency improves domain coverage but increases curvature. Our framework addresses this using slowly growing frequency sequences and an adaptive gap-based subdivision strategy, focusing refinement where the envelope gap is significant. As shown in the experiments, this balance maintains practical efficiency while ensuring global optimality.
4.6. Back-Projection to the Original Multivariate Problem
Let
Assume:
- •
The curve is –dense in .
- •
is Lipschitz continuous on with constant .
- •
The interval-based curvature bounds satisfy Theorem 8.
From Theorem 1, we have
| (4) |
Let be the lower and upper bounds generated by the branch-and-bound algorithm in the reduced space, and let be any point associated with the interval attaining , i.e.
By Theorem 7,
For a given tolerance , the algorithm stops at some with
Theorem 9 (Approximate Multivariate Global Solution).
Let and let be the reduced-space solution returned by the branch-and-bound algorithm. Define
Then
| (5) |
In particular, is a –global approximate minimizer of over .
Proof.
From the branch-and-bound algorithm and the definition of ,
Thus
By definition, and
Remark. For fixed , the algorithm converges on as , with error bounded by .
5. Numerical Experiments
This section presents a numerical evaluation of the proposed Alienor–PCU–PCO global optimization framework. All experiments were performed on a standard workstation (3.0 GHz CPU, 16 GB RAM) using a MATLAB/Julia prototype implementation. Interval arithmetic computations were handled via the INTLAB package.
The goals of the study are threefold:
- 1)
to assess the tightness of the PCU–PCO envelope bounds;
- 2)
to evaluate the efficiency of the univariate branch-and-bound scheme in the reduced –space;
- 3)
to compare the proposed method against state-of-the-art solvers on challenging multivariate benchmark problems.
5.1. Benchmark Problems
A suite of standard nonconvex test functions
was selected, covering dimensions from to . The benchmarks include classical smooth and multimodal landscapes such as the Rosenbrock, Powell, Wood, Ackley, Griewank, Rastrigin, Shekel, Hartmann 6, Shubert, Lévy, and Styblinski–Tang functions, along with randomly generated quartic–quadratic composites.
Each multivariate function is transformed into a reduced univariate form via the –dense mapping
resulting in the reduced objective . The frequencies follow a slow, deterministic growth:
with and , ensuring domain coverage without excessive oscillations.
To guarantee that is –dense in , the following density condition is enforced:
yielding a reduction error of order .
Default numerical parameters.
Unless stated otherwise, experiments use: , , , and tolerance . The range satisfies
All computations use interval arithmetic to certify curvature bounds and global optimality.
5.2. Branch-and-Bound Framework
The interval is initially partitioned into uniform subintervals. For each subinterval , interval arithmetic is used to compute second-derivative bounds . These bounds are then used to construct the corresponding local piecewise concave underestimator (PCU) and convex overestimator (PCO).
At each iteration, the subinterval with the largest theoretical PCU–PCO gap
is selected and subdivided adaptively into subintervals. The procedure repeats until the global duality gap
falls below the target tolerance .
5.3. Performance Metrics
For each benchmark problem, the following metrics are recorded:
- •
final lower and upper bounds ;
- •
final duality gap ;
- •
total number of interval subdivisions;
- •
total CPU time (in seconds);
- •
reconstructed multivariate solution and its associated global error .
Across all benchmarks, the Alienor–PCU–PCO approach consistently yields tight bounds and reliable convergence. It outperforms classical interval and Lipschitz-based solvers in both solution accuracy and computational efficiency.
5.4. Comparison with State-of-the-Art Global Optimization Methods
The performance of the proposed Alienor–PCU–PCO framework was compared with several representative global optimization solvers covering distinct algorithmic paradigms, including DIRECT, BB, classical interval Branch-and-Bound (B&B), COUENNE, GloptiPoly 3, and stochastic MultiStart L-BFGS/IPOPT. All solvers were executed under identical experimental conditions, with a uniform evaluation budget of , identical test functions and gradients, and a common hardware environment. Each test was repeated ten times for reproducibility. Performance was evaluated using the relative objective error , the achieved optimality gap, CPU time, number of subdivisions or nodes, and success rate within the prescribed tolerance . The comparative analysis shows that DIRECT often suffers from domain explosion in high dimensions and BB produces conservative relaxations for non-separable functions, while COUENNE and GloptiPoly offer strong guarantees but scale poorly. In contrast, the proposed Alienor–PCU–PCO scheme achieves competitive or superior results across all benchmarks, maintaining certified bounds with significantly fewer subdivisions. Its reduced 1D formulation and adaptive subdivision yield favorable scaling with dimension on benchmarks, while ensuring certified global optimality.
5.5. Performance Comparison Tables
Table 1 and Table 2 summarize the numerical performance of the proposed Alienor–PCU–PCO method against several state-of-the-art global solvers on a representative set of ten benchmark problems.
| Function | Method | Nodes | CPU (s) | Final Gap / Error | Success | |
|---|---|---|---|---|---|---|
| Rosenbrock | 10 | Alienor–PCU–PCO | 1 240 | 0.42 | Yes | |
| DIRECT | 58 400 | 2.95 | No | |||
| BB | 3 210 | 1.74 | Partial | |||
| Couenne | 4 820 | 3.81 | Yes | |||
| Interval B&B | 152 900 | 5.40 | No | |||
| Powell | 12 | Alienor–PCU–PCO | 1 520 | 0.38 | Yes | |
| DIRECT | 65 900 | 3.12 | No | |||
| BB | 4 180 | 2.45 | Partial | |||
| Couenne | 6 230 | 4.21 | Yes | |||
| Interval B&B | 190 300 | 6.85 | No | |||
| Wood | 5 | Alienor–PCU–PCO | 410 | 0.10 | Yes | |
| DIRECT | 12 500 | 0.50 | No | |||
| BB | 910 | 0.42 | Partial | |||
| Couenne | 1 620 | 0.92 | Yes | |||
| Interval B&B | 33 100 | 1.60 | No |
| Function | Method | Nodes | CPU (s) | Final Gap / Error | Success | |
|---|---|---|---|---|---|---|
| Rastrigin | 20 | Alienor–PCU–PCO | 2 480 | 0.75 | Yes | |
| DIRECT | 120 000 | 7.40 | No | |||
| BB | 11 800 | 5.92 | Partial | |||
| Couenne | 19 300 | 12.4 | Yes | |||
| Interval B&B | 450 000 | 18.9 | No | |||
| Ackley | 30 | Alienor–PCU–PCO | 3 200 | 1.05 | Yes | |
| DIRECT | 180 000 | 11.0 | No | |||
| BB | 14 900 | 7.40 | Partial | |||
| Couenne | 25 800 | 18.7 | Yes | |||
| Interval B&B | 680 000 | 29.5 | No | |||
| Griewank | 40 | Alienor–PCU–PCO | 3 950 | 1.40 | Yes | |
| DIRECT | 300 000 | 16.2 | No | |||
| BB | 25 100 | 10.3 | Partial | |||
| Couenne | 33 700 | 24.1 | Yes | |||
| Interval B&B | 1 100 000 | 54.0 | No |
5.6. Discussion of Numerical Results and Conclusion
The numerical experiments confirm the effectiveness and robustness of the proposed Alienor–PCU–PCO framework across a broad suite of classical and multimodal benchmark problems. The method consistently achieves the target global tolerance () while requiring substantially fewer nodes than existing solvers—often by nearly two orders of magnitude compared to DIRECT and classical interval branch-and-bound methods.
This efficiency is primarily due to three key components: the one-dimensional reduction in -space via the -dense transformation; the analytically tight PCU–PCO envelopes constructed from interval curvature bounds; and the adaptive subdivision strategy that targets intervals with the largest theoretical gaps. The approach reliably delivers certified optimality gaps on the order of , while solvers such as DIRECT and BB typically stagnate at much larger tolerances.
On challenging high-dimensional and highly multimodal landscapes—such as the Rastrigin and Ackley functions The method demonstrates robust performance on problems of dimension up to within the considered benchmark set. Outperforming deterministic and convex-relaxation-based solvers such as COUENNE and BB, which suffer from rapidly increasing computational costs and node counts with dimension. In contrast, our framework consistently achieves tighter bounds, typically requires fewer subdivisions and converges faster on the tested problems, and converges faster, benefiting from the reduced one-dimensional structure and analytical envelopes that avoid overestimation due to multivariate dependency effects.
The algorithm also exhibits notable robustness with respect to variations in key parameters, including the frequency profile , the initial partition size , and the subdivision factor . Furthermore, the use of interval arithmetic contributes to its numerical stability throughout the computations.
The primary limitations of the approach are associated with the computational cost of evaluating interval Hessians in very large-scale settings and the conservatism of curvature bounds in ill-scaled or near-singular regions. Nonetheless, within the tested range (), the Alienor-PCU-PCO scheme delivers certified global solutions with competitive or superior performance relative to state-of-the-art methods, combining theoretical rigor with practical efficiency.
Overall, the proposed framework—grounded in the -dense reduction and the construction of analytical piecewise concave and convex envelopes—opens promising avenues for future work. These include extensions to constrained global optimization, applications in optimal control, and further refinement of curvature-based bounding techniques.
6. Conclusion
We have introduced a new global optimization framework that combines an –dense dimensionality reduction with analytical one-dimensional PCU–PCO envelopes derived from interval curvature bounds. The resulting branch-and-bound algorithm operates entirely in the reduced univariate space and provides rigorous global optimality certificates. Numerical experiments demonstrate that the proposed method is both efficient and competitive with state-of-the-art solvers, particularly in nonconvex and moderately high-dimensional settings under carefully selected reduction and subdivision parameters.
Acknowledgements.
The author would like to thank the editor in charge and the anonymous reviewers for their careful reading of the manuscript and for their constructive comments and suggestions, which helped to improve the quality and clarity of this paper.
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