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At least 487 records · Page 27

Decision-making based on Markov decision process in integrated artificial reasoning framework—Part I: Theory

This paper presents a decision-making framework based on an integrated artificial reasoning framework and Markov decision process (MDP). The integrated artificial reasoning framework provides a physics-based approach that converts system information into state transition models, and the analysis result will be represented by the transition probabilities that can be used with an MDP to find a traceable and explainable optimal pathway. A dynamic Bayesian network (DBN) is well suited for representing the structure of an MDP. The causality information among process variables (or among subsystems) is mathematically represented in a DBN by the conditional probabilities of the node’s states provided different probabilities of the parent node’s states. To define node states in a physically understandable manner, we used multilevel flow modeling (MFM). An MFM follows the fundamental energy and mass conservation laws and supports the selection of process variables that represent the system of interest so that causal relations among process variables are properly captured. An MFM-based DBN supports developing state transition models in an MDP to capture the effect of process variables of system having physical relations. The operators of the target system can capture stochastic system dynamics as multiple subsystem state transitions based on their physical relations and uncertainties coming from component degradation or random failures. We analyzed a simplified exemplary system to illustrate an optimal operational policy using the suggested approach.

Markov decision process↗

Relative importance of multiple factors on terrestrial loading of DOC to Arctic river networks

Terrestrial carbon dynamics influence the contribution of dissolved organic carbon (DOC) to river networks in addition to controlling carbon fluxes between the land surface and the atmosphere. In this study, we use a biogeochemical process model to simulate the lateral transfer of DOC from land to the Arctic Ocean via riverine transport. We estimate that the pan-arctic watershed has contributed, on average, 32 Tg C/yr of DOC to the Arctic Ocean over the 20th century with most coming from the extensive area of boreal deciduous needle-leaved forests and forested wetlands in Eurasian watersheds. We also estimate that the rate of terrestrial DOC loading has been increasing by 0.037 Tg C/yr2 over the 20th century primarily as a result of increases in air temperatures and precipitation. These increases have been partially compensated by decreases in terrestrial DOC loading caused by wildfires. Other environmental factors (CO2 fertilization, ozone pollution, atmospheric nitrogen deposition, timber harvest, agriculture) are estimated to have relatively small effects on terrestrial DOC loading to arctic rivers. The effects of the various environmental factors on terrestrial carbon dynamics have both compensated and enhanced concurrent effects on hydrology to influence terrestrial DOC loading. Future increases in riverine DOC concentrations and export may occur from warming-induced increases in terrestrial DOC production associated with enhanced microbial metabolism and the exposure of additional organic matter from permafrost degradation along with decreases in water yield associated with warming-induced increases in evapotranspiration. Improvements in simulating terrestrial DOC loading to pan-arctic rivers in the future will require better information on the spatial distribution of precipitation and its temporal trends, carbon dynamics of larch-dominated ecosystems in eastern Siberia, and the role of industrial organic effluents on carbon budgets of rivers in western Russia.

Kicklighter, David W.↗

Crystal Structure Evolution and Notable Thermal Expansion in Hybrid Perovskites Formamidinium Tin Iodide and Formamidinium Lead Bromide

The temperature-dependent structure evolution of the hybrid halide perovskite compounds, formamidinium tin iodide (FASnI 3 , FA + = CH[NH 2 ] 2 + ) and formamidinium lead bromide (FAPbBr 3 ), has been monitored using high-resolution synchrotron X-ray powder diffraction between 300 and 100 K. The data are consistent with a transition from cubic Pm$\bar{3}$m (No. 221) to tetragonal P 4 /mbm (No. 127) for both materials upon cooling; this occurs for FAPbBr 3 between 275 and 250 K, and for FASnI 3 between 250 and 225 K. Upon further cooling, between 150 and 125 K, both materials undergo a transition to an orthorhombic Pnma (No. 62) structure. The transitions are confirmed by calorimetry and dielectric measurements. In the tetragonal regime, the coefficients of volumetric thermal expansion of FASnI 3 and FAPbBr 3 are among the highest recorded for any extended inorganic crystalline solid, reaching 219 ppm K –1 for FASnI 3 at 225 K. Atomic displacement parameters of all atoms for both materials suggest dynamic motion is occurring in the inorganic sublattice due to the flexibility of the inorganic network and dynamic lone pair stereochemical activity on the B-site. Unusual pseudocubic behavior is displayed in the tetragonal phase of the FAPbBr 3 , similar to that previously observed in FAPbI 3 .

36 MATERIALS SCIENCE↗

Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networks

The rates of liquid-phase, acid-catalyzed reactions relevant to the upgrading of biomass into high-value chemicals are highly sensitive to solvent composition and identifying suitable solvent mixtures is theoretically and experimentally challenging. We show that the complex atomistic configurations of reactant–solvent environments generated by classical molecular dynamics simulations can be exploited by 3D convolutional neural networks to enable accurate predictions of Brønsted acid-catalyzed reaction rates for model biomass compounds. We develop a 3D convolutional neural network, which we call SolventNet, and train it to predict acid-catalyzed reaction rates using experimental reaction data and corresponding molecular dynamics simulation data for seven biomass-derived oxygenates in water–cosolvent mixtures. We show that SolventNet can predict reaction rates for additional reactants and solvent systems an order of magnitude faster than prior simulation methods. This combination of machine learning with molecular dynamics enables the rapid, high-throughput screening of solvent systems and identification of improved biomass conversion conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-comparative systems biology analysis reveals time-course biosignatures of in vivo bovine pathway responses to B. melitensis, S. enterica Typhimurium and M. avium paratuberculosis

Background: To decipher the complexity and improve the understanding of host-pathogen interactions, biologists must adopt new system level approaches in which the hierarchy of biological interactions and dynamics can be studied. This paper presents the application of systems biology for the cross-comparative analysis and interactome modeling of three different infectious agents, leading to the identification of novel, unique and common molecular host responses (biosignatures). Methods: A computational systems biology method was utilized to create interactome models of the host responses to Brucella melitensis (BMEL), Salmonella enterica Typhimurium (STM) and Mycobacterium avium paratuberculosis (MAP). A bovine ligated ileal loop biological model was employed to capture the host gene expression response at four time points post infection. New methods based on Dynamic Bayesian Network (DBN) machine learning were employed to conduct a systematic comparative analysis of pathway and Gene Ontology category perturbations. Results: A cross-comparative assessment of 219 pathways and 1620 gene ontology (GO) categories was performed on each pathogen-host condition. Both unique and common pathway and GO perturbations indicated remarkable temporal differences in pathogen-host response profiles. Highly discriminatory pathways were selected from each pathogen condition to create a common system level interactome model comprised of 622 genes. This model was trained with data from each pathogen condition to capture unique and common gene expression features and relationships leading to the identification of candidate host-pathogen points of interactions and discriminatory biosignatures. Conclusions: Our results provide deeper understanding of the overall complexity of host defensive and pathogen invasion processes as well as the identification of novel host-pathogen interactions. The application of advanced computational methods for developing interactome models based on DBN has proven to be instrumental in conducting multi-conditional cross-comparative analyses. Further, this approach generates a fully simulateable model with capabilities for predictive analysis as well as for diagnostic pattern recognition. The resulting biosignatures may represent future targets for identification of emerging pathogens as well as for development of antimicrobial drugs, immunotherapeutics, or vaccines for prevention and treatment of diseases caused by known, emerging/re-emerging infectious agents.

59 BASIC BIOLOGICAL SCIENCES↗

Dynamic traffic routing in a network with adaptive signal control

In real traffic networks, travellers’ route choice is affected by traffic control strategies. In this work, we capture the interaction between travellers’ route choice and traffic signal control in a coherent framework. For travellers’ route choice, a VANET (Vehicular Ad hoc NETwork) is considered, where travellers have access to the real-time traffic information through V2V/V2I (Vehicle to Vehicle/Vehicle to Infrastructure) infrastructures and make route choice decisions at each intersection using hyper-path trees. We test our algorithm and control strategy by simulation in OmNet++ (A network communication simulator) and SUMO (Simulation of Urban MObility) under several scenarios. The simulation results show that with the proposed dynamic routing, the overall travel cost significantly decreases. Lastly, it is also shown that the proposed adaptive signal control reduces the average delay effectively, as well as reduces the fluctuation of the average speed within the whole network.

97 MATHEMATICS AND COMPUTING↗

Neural-network learning of SPOD latent dynamics

Here, we aim to reconstruct the latent space dynamics of high dimensional, quasi-stationary systems using model order reduction via the spectral proper orthogonal decomposition (SPOD). The proposed method is based on three fundamental steps: in the first, once that the mean flow field has been subtracted from the realizations (also referred to as snapshots), we compress the data from a high-dimensional representation to a lower dimensional one by constructing the SPOD latent space; in the second, we build the time-dependent coefficients by projecting the snapshots containing the fluctuations onto the SPOD basis and we learn their evolution in time with the aid of recurrent neural networks; in the third, we reconstruct the high-dimensional data from the learnt lower -dimensional representation. The proposed method is demonstrated on two different test cases, namely, a compressible jet flow, and a geophysical problem known as the Madden-Julian Oscillation. An extensive comparison between SPOD and the equivalent POD-based counterpart is provided and differences between the two approaches are highlighted. The numerical results suggest that the proposed model is able to provide low rank predictions of complex statistically stationary data and to provide insights into the evolution of phenomena characterized by specific range of frequencies. The comparison between POD and SPOD surrogate strategies highlights the need for further work on the characterization of the interplay of error between data reduction techniques and neural network forecasts.

97 MATHEMATICS AND COMPUTING↗

Cookie-Jar: An Adaptive Re-configurable Framework for Wireless Network Infrastructures

5G advancements like Massive Multiple Input Multiple Output (MIMO) bring high capacity and low latency, but also intensify interference challenges. Static and dynamic coordination techniques address this, often at the cost of increased power draw. We introduce Cookie-Jar (CJ), an interference coordination (IC) framework using reinforcement learning for multi-goal optimization. By dynamically adjusting network, power, and topology parameters based on real-time conditions, CJ improves Signal to Noise and Interference Ratio (SINR) while minimizing power consumption. Simulated 5G experiments showcase CJ's potential, achieving a 15% SINR improvement with near-identical power draw compared to existing methods.

Network↗

Dynamic Routing for Delay-Tolerant Networking in Space Flight Operations

Contact Graph Routing (CGR) is a dynamic routing system that computes routes through a time-varying topology composed of scheduled, bounded communication contacts in a network built on the Delay-Tolerant Networking (DTN) architecture. It is designed to support operations in a space network based on DTN, but it also could be used in terrestrial applications where operation according to a predefined schedule is preferable to opportunistic communication, as in a low-power sensor network. This paper will describe the operation of the CGR system and explain how it can enable data delivery over scheduled transmission opportunities, fully utilizing the available transmission capacity, without knowing the current state of any bundle protocol node (other than the local node itself) and without exhausting processing resources at any bundle router.

CGR↗

A cognitive-consistency based model of population wide attitude change.

Attitudes play a significant role in determining how individuals process information and behave. In this paper we have developed a new computational model of population wide attitude change that captures the social level: how individuals interact and communicate information, and the cognitive level: how attitudes and concept interact with each other. The model captures the cognitive aspect by representing each individuals as a parallel constraint satisfaction network. The dynamics of this model are explored through a simple attitude change experiment where we vary the social network and distribution of attitudes in a population.

99 GENERAL AND MISCELLANEOUS↗

Efficient File Sharing by Multicast - P2P Protocol Using Network Coding and Rank Based Peer Selection

In this work, we consider information dissemination and sharing in a distributed peer-to-peer (P2P highly dynamic communication network. In particular, we explore a network coding technique for transmission and a rank based peer selection method for network formation. The combined approach has been shown to improve information sharing and delivery to all users when considering the challenges imposed by the space network environments.

military↗

Community Microgrid Scheduling Considering Network Operational Constraints and Building Thermal Dynamics

Here, this paper proposes a Mixed Integer Conic Programming (MICP) model for community microgrids considering the network operational constraints and building thermal dynamics. The proposed optimization model optimizes not only the operating cost, including fuel cost, purchasing cost, battery degradation cost, voluntary load shedding cost and the cost associated with customer discomfort due to room temperature deviation from the set point, but also several performance indices, including voltage deviation, network power loss and power factor at the Point of Common Coupling (PCC). In particular, the detailed thermal dynamic model of buildings is integrated into the distribution optimal power flow (D-OPF) model for the optimal operation of community microgrids. The heating, ventilation and air-conditioning (HVAC) systems can be scheduled intelligently to reduce the electricity cost while maintaining the indoor temperature in the comfort range set by customers. Numerical simulation results show the effectiveness of the proposed model and significant saving in electricity cost could be achieved with network operational constraints satisfied.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Constructing tensor network influence functionals for general quantum dynamics

Here, we describe an iterative formalism to compute influence functionals that describe the general quantum dynamics of a subsystem beyond the assumption of linear coupling to a quadratic bath. We use a space-time tensor network representation of the influence functional and investigate its approximability in terms of its bond dimension and time-like entanglement in the tensor network description. We study two numerical models, the spin-boson model and a model of interacting hard-core bosons in a 1D harmonic trap. We find that the influence functional and the intermediates involved in its construction can be efficiently approximated by low bond dimension tensor networks in certain dynamical regimes, which allows the quantum dynamics to be accurately computed for longer times than with direct time evolution methods. However, as one iteratively integrates out the bath, the correlations in the influence functional can first increase before decreasing, indicating that the final compressibility of the influence functional is achieved via non-trivial cancellation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigating the mechanisms responsible for the lack of surface energy balance closure in a central Amazonian tropical rainforest

This work investigates the diurnal and seasonal behavior of the energy balance residual (E) that results from the observed difference between available energy and the turbulent fluxes of sensible heat (H) and latent heat (LE) at the FLUXNET BR-Ma2 site located in the Brazilian central Amazon rainforest. The behavior of E is analyzed by extending the eddy covariance averaging length from 30 min to 4 h and by applying an Information Flow Dynamical Process Network to diagnose processes and conditions affecting E across different seasons. Results show that the seasonal turbulent flux dynamics and the Bowen ratio are primarily driven by net radiation (R n ), with substantial sub-seasonal variability. The Bowen ratio increased from 0.25 in April to 0.4 at the end of September. Extension of the averaging length from 0.5 (94.6% closure) to 4 h and thus inclusion of longer timescale eddies and mesoscale processes closes the energy balance and lead to an increase in the Bowen ratio, thus highlighting the importance of additional H to E. Information flow analysis reveals that the components of the energy balance explain between 25 and 40% of the total Shannon entropy with higher values during the wet season than the dry season. Dry season information flow from the buoyancy flux to E are 30–50% larger than that from H, indicating the potential importance of buoyancy fluxes to closing E. While the low closure highlights additional sources not captured in the flux data and random measurement errors contributing to E, the findings of the information flow and averaging length analysis are consistent with the impact of mesoscale circulations, which tend to transport more H than LE, on the lack of closure.

54 ENVIRONMENTAL SCIENCES↗

Critical Role of the Steric Factor in the Viscoelasticity of Vitrimers

Dynamic covalent networks (DCNs) are a promising solution to mitigate plastic-waste-related issues through improved recyclability enabled by dynamic bonds. However, our understanding of the mechanisms controlling their viscoelasticity, especially in vitrimers where bond exchange relies on associative reactions, remains limited. Here, in this study, we investigate the dynamics in model DCNs with boric ester functionalities, and the analysis of the temperature dependence of their terminal relaxation times revealed a puzzling result: extremely large Arrhenius prefactors associated with their dynamic bond rearrangement times. We ascribe this observation to the often-overlooked chemical steric factor that slows down chemical reactions, therefore decreasing the vitrimers’ bond exchange rate by many orders. The estimated steric factor of the bond exchange in our model DCNs is comparable to those observed in boronic ester exchange reactions between small molecules. Additional analysis of literature data revealed an overall low steric factor also for imine bond exchange, thus highlighting the role of this parameter in tremendously slowing down bond exchange in DCNs despite low activation energy barriers. We propose a general approach for designing vitrimers with desired viscoelastic and creep properties considering the critical role of the steric factor in bond rearrangement mechanisms, in addition to the traditionally considered activation energy and matrix properties.

Carden, Gregory P. [Univ. of Tennessee, Knoxville,↗

Dynamic Controllability and Dispatchability Relationships

An important issue for temporal planners is the ability to handle temporal uncertainty. Recent papers have addressed the question of how to tell whether a temporal network is Dynamically Controllable, i.e., whether the temporal requirements are feasible in the light of uncertain durations of some processes. We present a fast algorithm for Dynamic Controllability. We also note a correspondence between the reduction steps in the algorithm and the operations involved in converting the projections to dispatchable form. This has implications for the complexity for sparse networks.

controllability↗

Development of Steady-State and Dynamic Mass and Energy Constrained Neural Networks for Distributed Chemical Systems Using Noisy Transient Data

The paper presents the development of algorithms for mass and energy constrained neural network models that can exactly conserve the overall mass and energy of distributed chemical process systems, even though the noisy transient data used for optimal model training violate the same. In contrast to approximately satisfying mass and energy balance constraints of a system by soft penalization of objective function, algorithms have been developed for solving equality-constrained nonlinear optimization problems, thus providing the guarantee of exactly satisfying the system mass and energy conservation laws. For developing dynamic mass-energy constrained network models for distributed systems, hybrid series and parallel dynamic-static neural networks have been leveraged. The developed algorithms for solving both the training and forward problems are validated using both steady-state and dynamic data in the presence of various noise characteristics. The developed data-driven algorithms are flexible to exactly satisfy mass and energy balance constraints for dynamic chemical processes if the system holdup information is available. The proposed network structures and algorithms are applied to the development of data-driven lumped and distributed models of an adiabatic superheater/reheater system, a nonisothermal continuous stirred tank reactor, as well as an electrically heated plug-flow reactor system where one form of energy gets transformed to another. It has been observed that the mass-energy constrained neural networks yield a root mean squared error of <1% with respect to the system truth for the case studies evaluated in this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Structural Characterization of Temporal Dynamic Controllability

An important issue for temporal planners is the ability to handle temporal uncertainty. Recent papers have addressed the question of how to tell whether a temporal network is Dynamically Controllable, i.e., whether the temporal requirements are feasible in the light of uncertain durations of some processes. Previous work has presented an O(N5) algorithm for testing this property. Here, we introduce a new analysis of temporal cycles that leads to an O(N4) algorithm.

Morris, Paul↗