相关论文: Chemical Case Studies in KeYmaera X

Delay differential equations are used as a model when the effect of past states has to be taken into account. In this work we consider delay models of chemical reaction networks with mass action kinetics. We obtain a sufficient condition…

Many cyber-physical systems (CPS) are safety-critical, so it is important to formally verify them, e.g. in formal logics that show a model's correctness specification always holds. Constructive Differential Game Logic (CdGL) is such a logic…

Consider briefly the equations of fluid dynamics-they describe the enormous wealth of detail in all the interacting physical elements of a fluid flow-whereas in applications we want to deal with a description of just that which is…

Chemical reaction engineering is key to industrial might and sustainable chemistry. This will be enabled using smart, efficient catalysts or catalysis ecosystems. This is possible with advanced artificial intelligence and machine learning…

Extreme events gain the attention of researchers due to their utmost importance in various contexts ranging from finance to climatology. This brings such recurrent events to the limelight of attention in interdisciplinary research. A…

Studying the reliability of complex systems using machine learning techniques involves facing a series of technical and practical challenges, ranging from the intrinsic nature of the system and data to the difficulties in modeling and…

Many safety-critical scientific and engineering systems evolve according to differential-algebraic equations (DAEs), where dynamical behavior is constrained by physical laws and admissibility conditions. In practice, these systems operate…

Symbolic models have been used as the basis of a systematic framework to address control design of several classes of hybrid systems with sophisticated control objectives. However, results available in the literature are not concerned with…

Droplets form a cornerstone of the spatiotemporal organization of biomolecules in cells. These droplets are controlled using physical processes like chemical reactions and imposed gradients, which are costly to simulate using traditional…

We present the DRYVR framework for verifying hybrid control systems that are described by a combination of a black-box simulator for trajectories and a white-box transition graph specifying mode switches. The framework includes (a) a…

The formal analysis of security protocols is a challenging field, with various approaches being studied nowadays. The famous Burrows-Abadi-Needham Logic was the first logical system aiming to validate security protocols. Combining ideas…

Reactive computer systems bear inherent complexity due to continuous interactions with their environment. While this environment often proves to be uncontrollable, we still want to ensure that critical computer systems will not fail, no…

Diffusion preserves the positivity of concentrations, therefore, multicomponent diffusion should be nonlinear if there exist non-diagonal terms. The vast variety of nonlinear multicomponent diffusion equations should be ordered and special…

Modern machine learning pipelines leverage large amounts of public data, making it infeasible to guarantee data quality and leaving models open to poisoning and backdoor attacks. Provably bounding model behavior under such attacks remains…

We develop a mathematical model for dynamic simulation of an alkaline electrolyzer plant. The plant includes the stack, a water recirculation system and hydrogen storage with compressor. We model each component of the system with mass and…

Hybrid modeling integrates machine learning with scientific knowledge to enhance interpretability, generalization, and adherence to natural laws. Nevertheless, equifinality and regularization biases pose challenges in hybrid modeling to…

Ordinary differential equation models are nowadays widely used for the mechanistic description of biological processes and their temporal evolution. These models typically have many unknown and non-measurable parameters, which have to be…

Chemical theory can be made more rigorous using the Lean theorem prover, an interactive theorem prover for complex mathematics. We formalize the Langmuir and BET theories of adsorption, making each scientific premise clear and every step of…

Robots are soon going to be deployed in non-industrial environments. Before society can take such a step, it is necessary to endow complex robotic systems with mechanisms that make them reliable enough to operate in situations where the…

In this paper, we present an algorithm for synthesizing certificates---so-called barrier certificates---for safety of hybrid dynamical systems. Unlike the usual approach of using constraint solvers to compute the certificate from the system…