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Keywords = first-order features adjoint sensitivity analysis

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22 pages, 323 KB  
Article
The First- and Second-Order Features Adjoint Sensitivity Analysis Methodologies for Fredholm-Type Neural Integro-Differential Equations: An Illustrative Application to a Heat Transfer Model—Part II
by Dan Gabriel Cacuci
Processes 2025, 13(7), 2265; https://doi.org/10.3390/pr13072265 - 16 Jul 2025
Cited by 1 | Viewed by 533
Abstract
This work illustrates the application of the “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (1st-FASAM-NIDE-F) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (2nd-FASAM-NIDE-F) to a paradigm heat transfer model. This physically [...] Read more.
This work illustrates the application of the “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (1st-FASAM-NIDE-F) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (2nd-FASAM-NIDE-F) to a paradigm heat transfer model. This physically based heat transfer model has been deliberately constructed so that it can be represented either by a neural integro-differential equation of a Fredholm type (NIDE-F) or by a conventional second-order “neural ordinary differential equation (NODE)” while admitting exact closed-form solutions/expressions for all quantities of interest, including state functions and first-order and second-order sensitivities. This heat transfer model enables a detailed comparison of the 1st- and 2nd-FASAM-NIDE-F versus the recently developed 1st- and 2nd-FASAM-NODE methodologies, highlighting the considerations underlying the optimal choice for cases where the neural net of interest is amenable to using either of these methodologies for its sensitivity analysis. It is shown that the 1st-FASAM-NIDE-F methodology enables the most efficient computation of exactly determined first-order sensitivities of the decoder response with respect to the optimized NIDE-F parameters, requiring a single “large-scale” computation for solving the 1st-Level Adjoint Sensitivity System (1st-LASS), regardless of the number of weights/parameters underlying the NIDE-F decoder, hidden layers, and encoder. The 2nd-FASAM-NIDE-F methodology enables the computation, with unparalleled efficiency, of the second-order sensitivities of decoder responses with respect to the optimized/trained weights. Full article
(This article belongs to the Section Energy Systems)
27 pages, 372 KB  
Article
The First- and Second-Order Features Adjoint Sensitivity Analysis Methodologies for Fredholm-Type Neural Integro-Differential Equations: I. Mathematical Framework
by Dan Gabriel Cacuci
Processes 2025, 13(7), 2258; https://doi.org/10.3390/pr13072258 - 15 Jul 2025
Cited by 1 | Viewed by 666
Abstract
This work presents the “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (1st-FASAM-NIDE-F) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (2nd-FASAM-NIDE-F). It is shown that the 1st-FASAM-NIDE-F methodology enables the most efficient [...] Read more.
This work presents the “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (1st-FASAM-NIDE-F) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Fredholm-Type” (2nd-FASAM-NIDE-F). It is shown that the 1st-FASAM-NIDE-F methodology enables the most efficient computation of exactly-determined first-order sensitivities of decoder response with respect to the optimized NIDE-F parameters, requiring a single “large-scale” computation for solving the 1st-Level Adjoint Sensitivity System (1st-LASS), regardless of the number of weights/parameters underlying the NIDE-F decoder, hidden layers, and encoder. The 2nd-FASAM-NIDE-F methodology enables the computation, with unparalleled efficiency, of the second-order sensitivities of decoder responses with respect to the optimized/trained weights, requiring only as many large-scale computations for solving the 2nd-Level Adjoint Sensitivity System (2nd-LASS) as there are non-zero feature functions of parameters. The application of both the 1st-FASAM-NIDE-F and the 2nd-FASAM-NIDE-F methodologies is illustrated in an accompanying work (Part II) by considering a paradigm heat transfer model. Full article
(This article belongs to the Section Energy Systems)
52 pages, 528 KB  
Article
The First- and Second-Order Features Adjoint Sensitivity Analysis Methodologies for Neural Integro-Differential Equations of Volterra Type: Mathematical Framework and Illustrative Application to a Nonlinear Heat Conduction Model
by Dan Gabriel Cacuci
J. Nucl. Eng. 2025, 6(3), 24; https://doi.org/10.3390/jne6030024 - 4 Jul 2025
Viewed by 966
Abstract
This work presents the mathematical frameworks of the “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Volterra-Type” (1st-FASAM-NIDE-V) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Volterra-Type” (2nd-FASAM-NIDE-V). It is shown that the 1st-FASAM-NIDE-V methodology [...] Read more.
This work presents the mathematical frameworks of the “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Volterra-Type” (1st-FASAM-NIDE-V) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integro-Differential Equations of Volterra-Type” (2nd-FASAM-NIDE-V). It is shown that the 1st-FASAM-NIDE-V methodology enables the efficient computation of exactly-determined first-order sensitivities of the decoder response with respect to the optimized NIDE-V parameters, requiring a single “large-scale” computation for solving the 1st-Level Adjoint Sensitivity System (1st-LASS), regardless of the number of weights/parameters underlying the NIE-net. The 2nd-FASAM-NIDE-V methodology enables the computation, with unparalleled efficiency, of the second-order sensitivities of decoder responses with respect to the optimized/trained weights involved in the NIDE-V’s decoder, hidden layers, and encoder, requiring only as many “large-scale” computations as there are non-zero first-order sensitivities with respect to the feature functions. These characteristics of the 1st-FASAM-NIDE-V and 2nd-FASAM-NIDE-V are illustrated by considering a nonlinear heat conduction model that admits analytical solutions, enabling the exact verification of the expressions obtained for the first- and second-order sensitivities of NIDE-V decoder responses with respect to the model’s functions of parameters (weights) that characterize the heat conduction model. Full article
32 pages, 976 KB  
Article
Introducing the Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integral Equations of the Volterra Type: Mathematical Methodology and Illustrative Application to Nuclear Engineering
by Dan Gabriel Cacuci
J. Nucl. Eng. 2025, 6(2), 8; https://doi.org/10.3390/jne6020008 - 29 Mar 2025
Cited by 3 | Viewed by 1080
Abstract
This work presents the general mathematical frameworks of the “First and Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integral Equations of Volterra Type” designated as the 1st-FASAM-NIE-V and the 2nd-FASAM-NIE-V methodologies, respectively. Using a single large-scale (adjoint) computation, the 1st-FASAM-NIE-V enables the [...] Read more.
This work presents the general mathematical frameworks of the “First and Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Integral Equations of Volterra Type” designated as the 1st-FASAM-NIE-V and the 2nd-FASAM-NIE-V methodologies, respectively. Using a single large-scale (adjoint) computation, the 1st-FASAM-NIE-V enables the most efficient computation of the exact expressions of all first-order sensitivities of the decoder response to the feature functions and also with respect to the optimal values of the NIE-net’s parameters/weights after the respective NIE-Volterra-net was optimized to represent the underlying physical system. The computation of all second-order sensitivities with respect to the feature functions using the 2nd-FASAM-NIE-V requires as many large-scale computations as there are first-order sensitivities of the decoder response with respect to the feature functions. Subsequently, the second-order sensitivities of the decoder response with respect to the primary model parameters are obtained trivially by applying the “chain-rule of differentiation” to the second-order sensitivities with respect to the feature functions. The application of the 1st-FASAM-NIE-V and the 2nd-FASAM-NIE-V methodologies is illustrated by using a well-known model for neutron slowing down in a homogeneous hydrogenous medium, which yields tractable closed-form exact explicit expressions for all quantities of interest, including the various adjoint sensitivity functions and first- and second-order sensitivities of the decoder response with respect to all feature functions and also primary model parameters. Full article
32 pages, 356 KB  
Article
Introducing the Second-Order Features Adjoint Sensitivity Analysis Methodology for Fredholm-Type Neural Integral Equations
by Dan Gabriel Cacuci
Mathematics 2025, 13(1), 14; https://doi.org/10.3390/math13010014 - 24 Dec 2024
Cited by 4 | Viewed by 949
Abstract
This work presents the “First-Order Features Adjoint Sensitivity Analysis Methodology for Fredholm-Type Neural Integral Equations” (1st-FASAM-NIE-Fredholm) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Fredholm-Type Neural Integral Equations” (2nd-FASAM-NIE-Fredholm). It is shown that the 1st-FASAM-NIE-Fredholm methodology enables the efficient computation of exactly [...] Read more.
This work presents the “First-Order Features Adjoint Sensitivity Analysis Methodology for Fredholm-Type Neural Integral Equations” (1st-FASAM-NIE-Fredholm) and the “Second-Order Features Adjoint Sensitivity Analysis Methodology for Fredholm-Type Neural Integral Equations” (2nd-FASAM-NIE-Fredholm). It is shown that the 1st-FASAM-NIE-Fredholm methodology enables the efficient computation of exactly determined first-order sensitivities of decoder response with respect to the optimized NIE-parameters, requiring a single “large-scale” computation for solving the First-Level Adjoint Sensitivity System (1st-LASS), regardless of the number of weights/parameters underlying the NIE-net. The 2nd-FASAM-NIE-Fredholm methodology enables the computation, with unparalleled efficiency, of the second-order sensitivities of decoder responses with respect to the optimized/trained weights involved in the NIE’s decoder, hidden layers, and encoder, requiring only as many “large-scale” computations as there are first-order sensitivities with respect to the feature functions. The application of both the 1st-FASAM-NIE-Fredholm and the 2nd-FASAM-NIE-Fredholm methodologies is illustrated by considering a system of nonlinear Fredholm-type NIE that admits analytical solutions, thereby facilitating the verification of the expressions obtained for the first- and second-order sensitivities of NIE-decoder responses with respect to the model parameters (weights) that characterize the respective NIE-net. Full article
37 pages, 412 KB  
Article
Introducing the Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Ordinary Differential Equations—II: Illustrative Application to Heat and Energy Transfer in the Nordheim–Fuchs Phenomenological Model for Reactor Safety
by Dan Gabriel Cacuci
Processes 2024, 12(12), 2755; https://doi.org/10.3390/pr12122755 - 4 Dec 2024
Cited by 2 | Viewed by 1252
Abstract
This work presents an illustrative application of the newly developed “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Ordinary Differential Equations (2nd-FASAM-NODE)” methodology to determine most efficiently the exact expressions of the first- and second-order sensitivities of NODE decoder responses to the neural [...] Read more.
This work presents an illustrative application of the newly developed “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Ordinary Differential Equations (2nd-FASAM-NODE)” methodology to determine most efficiently the exact expressions of the first- and second-order sensitivities of NODE decoder responses to the neural net’s underlying parameters (weights and initial conditions). The application of the 2nd-FASAM-NODE methodology will be illustrated using the Nordheim–Fuchs phenomenological model for reactor safety, which describes a short-time self-limiting power transient in a nuclear reactor system having a negative temperature coefficient in which a large amount of reactivity is suddenly inserted. The representative model responses that will be analyzed in this work include the model’s time-dependent total energy released, neutron flux, temperature and thermal conductivity. The 2nd-FASAM-NODE methodology yields the exact expressions of the first-order sensitivities of these decoder responses with respect to the underlying uncertain model parameters and initial conditions, requiring just a single large-scale computation per response. Furthermore, the 2nd-FASAM-NODE methodology yields the exact expressions of the second-order sensitivities of a model response requiring as few large-scale computations as there are features/functions of model parameters, thereby demonstrating its unsurpassed efficiency for performing sensitivity analysis of NODE nets. Full article
(This article belongs to the Special Issue Heat and Mass Transfer Phenomena in Energy Systems)
23 pages, 334 KB  
Article
Introducing the Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Ordinary Differential Equations—I: Mathematical Framework
by Dan Gabriel Cacuci
Processes 2024, 12(12), 2660; https://doi.org/10.3390/pr12122660 - 25 Nov 2024
Cited by 6 | Viewed by 1677
Abstract
This work introduces the mathematical framework of the novel “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Ordinary Differential Equations” (1st-FASAM-NODE). The 1st-FASAM-NODE methodology produces and computes most efficiently the exact expressions of all of the first-order sensitivities of NODE-decoder responses with respect [...] Read more.
This work introduces the mathematical framework of the novel “First-Order Features Adjoint Sensitivity Analysis Methodology for Neural Ordinary Differential Equations” (1st-FASAM-NODE). The 1st-FASAM-NODE methodology produces and computes most efficiently the exact expressions of all of the first-order sensitivities of NODE-decoder responses with respect to the parameters underlying the NODE’s decoder, hidden layers, and encoder, after having optimized the NODE-net to represent the physical system under consideration. Building on the 1st-FASAM-NODE, this work subsequently introduces the mathematical framework of the novel “Second-Order Features Adjoint Sensitivity Analysis Methodology for Neural Ordinary Differential Equations (2nd-FASAM-NODE)”. The 2nd-FASAM-NODE methodology efficiently computes the exact expressions of the second-order sensitivities of NODE decoder responses with respect to the NODE parameters. Since the physical system modeled by the NODE-net necessarily comprises imprecisely known parameters that stem from measurements and/or computations subject to uncertainties, the availability of the first- and second-order sensitivities of decoder responses to the parameters underlying the NODE-net is essential for performing sensitivity analysis and quantifying the uncertainties induced in the NODE-decoder responses by uncertainties in the underlying uncertain NODE-parameters. Full article
(This article belongs to the Special Issue Heat and Mass Transfer Phenomena in Energy Systems)
48 pages, 485 KB  
Article
The Second-Order Features Adjoint Sensitivity Analysis Methodology for Response-Coupled Forward/Adjoint Linear Systems (2nd-FASAM-L): Mathematical Framework and Illustrative Application to an Energy System
by Dan Gabriel Cacuci
Energies 2024, 17(10), 2263; https://doi.org/10.3390/en17102263 - 8 May 2024
Cited by 1 | Viewed by 1377
Abstract
The Second-Order Features Adjoint Sensitivity Analysis Methodology for Response-Coupled Forward/Adjoint Linear Systems (abbreviated as “2nd-FASAM-L”), presented in this work, enables the most efficient computation of exactly obtained mathematical expressions of first- and second-order sensitivities of a generic system response with respect to the [...] Read more.
The Second-Order Features Adjoint Sensitivity Analysis Methodology for Response-Coupled Forward/Adjoint Linear Systems (abbreviated as “2nd-FASAM-L”), presented in this work, enables the most efficient computation of exactly obtained mathematical expressions of first- and second-order sensitivities of a generic system response with respect to the functions (“features”) of model parameters. Subsequently, the first- and second-order sensitivities with respect to the model’s uncertain parameters, boundaries, and internal interfaces are obtained analytically and exactly, without needing large-scale computations. Within the 2nd-FASAM-L methodology, the number of large-scale computations is proportional to the number of model features (defined as functions of model parameters), as opposed to being proportional to the number of model parameters. This characteristic enables the 2nd-FASAM-L methodology to maximize the efficiency and accuracy of any other method for computing exact expressions of first- and second-order response sensitivities with respect to the model’s features and/or primary uncertain parameters. The application of the 2nd-FASAM-L methodology is illustrated using a simplified energy-dependent neutron transport model of fundamental significance in nuclear reactor physics. Full article
(This article belongs to the Section B4: Nuclear Energy)
51 pages, 537 KB  
Article
Computation of High-Order Sensitivities of Model Responses to Model Parameters—II: Introducing the Second-Order Adjoint Sensitivity Analysis Methodology for Computing Response Sensitivities to Functions/Features of Parameters
by Dan Gabriel Cacuci
Energies 2023, 16(17), 6356; https://doi.org/10.3390/en16176356 - 1 Sep 2023
Cited by 5 | Viewed by 1363
Abstract
This work introduces a new methodology, which generalizes the extant second-order adjoint sensitivity analysis methodology for computing sensitivities of model responses to primary model parameters. This new methodology enables the computation, with unparalleled efficiency, of second-order sensitivities of responses to functions of uncertain [...] Read more.
This work introduces a new methodology, which generalizes the extant second-order adjoint sensitivity analysis methodology for computing sensitivities of model responses to primary model parameters. This new methodology enables the computation, with unparalleled efficiency, of second-order sensitivities of responses to functions of uncertain model parameters, including uncertain boundaries and internal interfaces, for linear and/or nonlinear models. Such functions of primary model parameters customarily describe characteristic “features” of the system under consideration, including correlations modeling material properties, flow regimes, etc. The number of such “feature” functions is considerably smaller than the total number of primary model parameters. By enabling the computations of exact expressions of second-order sensitivities of model responses to model “features”, the number of required large-scale adjoint computations is greatly reduced. As shown in this work, obtaining the first- and second-order sensitivities to the primary model parameters from the corresponding response sensitivities to the feature functions can be performed analytically, thereby involving just the respective function/feature of parameters rather than the entire model. By replacing large-scale computations involving the model with relatively trivial computations involving just the feature functions, this new second-order adjoint sensitivity analysis methodology reaches unsurpassed efficiency. The applicability and unparalleled efficiency of this “2nd-Order Function/Feature Adjoint Sensitivity Analysis Methodology” (2nd-FASAM) is illustrated using a paradigm particle transport model that involves feature functions of many parameters, while admitting closed-form analytic solutions. Ongoing work will generalize the mathematical framework of the 2nd-FASAM to enable the computation of arbitrarily high-order sensitivities of model responses to functions/features of model parameters. Full article
(This article belongs to the Section B4: Nuclear Energy)
31 pages, 403 KB  
Article
Illustrative Application of the nth-Order Comprehensive Adjoint Sensitivity Analysis Methodology for Nonlinear Systems to the Nordheim–Fuchs Reactor Dynamics/Safety Model
by Dan Gabriel Cacuci
J. Nucl. Eng. 2022, 3(3), 191-221; https://doi.org/10.3390/jne3030011 - 30 Jun 2022
Cited by 1 | Viewed by 2329
Abstract
The application of the recently developed “nth-order comprehensive sensitivity analysis methodology for nonlinear systems” (abbreviated as “nth-CASAM-N”) has been previously illustrated on paradigm nonlinear space-dependent problems. To complement these illustrative applications, this work illustrates the application of the nth-CASAM-N to a paradigm nonlinear [...] Read more.
The application of the recently developed “nth-order comprehensive sensitivity analysis methodology for nonlinear systems” (abbreviated as “nth-CASAM-N”) has been previously illustrated on paradigm nonlinear space-dependent problems. To complement these illustrative applications, this work illustrates the application of the nth-CASAM-N to a paradigm nonlinear time-dependent model chosen from the field of reactor dynamics/safety, namely the well-known Nordheim–Fuchs model. This phenomenological model describes a short-time self-limiting power transient in a nuclear reactor system having a negative temperature coefficient in which a large amount of reactivity is suddenly inserted, either intentionally or by accident. This model is sufficiently complex to demonstrate all the important features of applying the nth-CASAM-N methodology yet admits exact closed-form solutions for the energy released in the transient, which is the most important system response. All of the expressions of the first- and second-level adjoint functions and, subsequently, the first- and second-order sensitivities of the released energy to the model’s parameters are obtained analytically in closed form. The principles underlying the application of the 3rd-CASAM-N methodology for the computation of the third-order sensitivities are demonstrated for both mixed and unmixed second-order sensitivities. For the Nordheim–Fuchs model, a single adjoint computation suffices to obtain the six 1st-order sensitivities, while two adjoint computations suffice to obtain all of the 36 second-order sensitivities (of which 21 are distinct). This illustrative example demonstrates that the number of (large-scale) adjoint computations increases at most linearly within the nth-CASAM-N methodology, as opposed to the exponential increase in the parameter-dimensional space which occurs when applying conventional statistical and/or finite difference schemes to compute higher-order sensitivities. For very large and complex models, the nth-CASAM-N is the only practical methodology for computing response sensitivities comprehensively and accurately, overcoming the curse of dimensionality in sensitivity analysis of nonlinear systems. Full article
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