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A new mathematical model and numerical approach are proposed for the simulation of fluid and chemical exchanges between a growing capillary network and the surrounding tissue, in the context of tumor-induced angiogenesis. Thanks to proper…
Normal molecular dynamics simulations are usually unable to simulate chemical reactions due to the low probability of forming the transition state. Therefore, enhanced sampling methods are implemented to accelerate the occurrence of…
The equivalence between the natural minimization of energy in a dynamical system and the minimization of an objective function characterizing a combinatorial optimization problem offers a promising approach to designing dynamical…
Reactive synthesis is a class of methods to construct a provably-correct control system, referred to as a robot, with respect to a temporal logic specification in the presence of a dynamic and uncontrollable environment. This is achieved by…
Similar to the notion of h-adaptivity, where the discretization resolution is adaptively changed, I propose the notion of model adaptivity, where the underlying model (the governing equations) is adaptively changed in space and time.…
We show that a cooperative atom response in an optical lattice to resonant incident light can be employed for precise control and manipulation of light on a subwavelength scale. Specific collective excitation modes of the system that result…
With the rise of service-oriented computing, applications are more and more based on coordination of autonomous services. Envisioned over largely distributed and highly dynamic platforms, expressing this coordination calls for alternative…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
Self-improvement has emerged as a state-of-the-art paradigm in Neural Combinatorial Optimization (NCO), where models iteratively refine their policies by generating and imitating high-quality solutions. Despite strong empirical performance,…
Ising machines as hardware solvers of combinatorial optimization problems (COPs) can efficiently explore large solution spaces due to their inherent parallelism and physics-based dynamics. Many important COP classes such as satisfiability…
In this paper, a novel adaptive optimal control strategy is proposed to achieve the cooperative optimal output regulation of continuous-time linear multi-agent systems based on adaptive dynamic programming (ADP). The proposed method is…
Distributed model predictive control (DMPC) is a flexible and scalable feedback control method applicable to a wide range of systems. While the stability analysis of DMPC is quite well understood, there exist only limited implementation…
The integration of unmanned platforms equipped with advanced sensors promises to enhance situational awareness and mitigate the "fog of war" in military operations. However, managing the vast influx of data from these platforms poses a…
Models invoking the chemical master equation are used in many areas of science, and, hence, their simulation is of interest to many researchers. The complexity of the problems at hand often requires considerable computational power, so a…
We examine the problem of causal response estimation for complex objects (e.g., text, images, genomics). In this setting, classical \emph{atomic} interventions are often not available (e.g., changes to characters, pixels, DNA base-pairs).…
Evolutionary optimization is a generic population-based metaheuristic that can be adapted to solve a wide variety of optimization problems and has proven very effective for combinatorial optimization problems. However, the potential of this…
Systems of interacting random replicators are studied using generating functional techniques. While replica analyses of such models are limited to systems with symmetric couplings, dynamical approaches as presented here allow specifically…
This paper proposes online algorithms for dynamic matching markets in power distribution systems, which at any real-time operation instance decides about matching -- or delaying the supply of -- flexible loads with available renewable…
A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic…
An object-oriented combinator chemistry was used to construct an artificial organism with a system architecture possessing characteristics necessary for organisms to evolve into more complex forms. This architecture supports modularity by…