相关论文: Targeted free energy perturbation

Calculating perturbation response properties of materials from first principles provides a vital link between theory and experiment, but is bottlenecked by the high computational cost. Here a general framework is proposed to perform density…

Diffusion-based text-to-image models have shown immense potential for various image-related tasks. However, despite their prominence and popularity, customizing these models using unauthorized data also brings serious privacy and…

An expansion method for perturbation of the zero temperature grand canonical density matrix is introduced. The method achieves quadratically convergent recursions that yield the response of the zero temperature density matrix upon variation…

We present a categorical formulation of the cognitive frameworks of Predictive Processing and Active Inference, expressed in terms of string diagrams interpreted in a monoidal category with copying and discarding. This includes diagrammatic…

An often used rule that the thermal correction to the self-energy is the thermal phase-space times the forward scattering amplitude from target particles is shown to be the leading term in an exact multiple scattering expansion. Starting…

Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…

The quality of electricity system modelling heavily depends on the input data used. Although a lot of data is publicly available, it is often dispersed, tedious to process and partly contains errors. We argue that a central provision of…

We study the target control problem of asynchronous Boolean networks, to identify a set of nodes, the perturbation of which can drive the dynamics of the network from any initial state to the desired steady state (or attractor). We are…

We study the target control of asynchronous Boolean networks, to identify efficacious interventions that can drive the dynamics of a given Boolean network from any initial state to the desired target attractor. Based on the application…

This work considers a system with two energy harvesting (EH) nodes transmitting to a common destination over a random access channel. The amount of harvested energy is assumed to be random and independent over time, but correlated among the…

The 'free energy principle' (FEP) has been suggested to provide a unified theory of the brain, integrating data and theory relating to action, perception, and learning. The theory and implementation of the FEP combines insights from…

In conventional well-known derivation methods for the adaptive Thouless-Anderson-Palmer (TAP) free energy, special assumptions that are difficult to mathematically justify except in some mean-field models, must be made. Here, we present a…

In this paper, we propose a new method for computing the stray-field and the corresponding energy for a given magnetization configuration. Our approach is based on the use of inverted finite elements and does not need any truncation. After…

Guaranteed maximization of financial returns from economic structures is only possible if all of its systems are focused on selecting target operations with maximum efficiency. Is it possible? Any system is created to enhance the value of…

We propose a new approach, "structure integration", enabling direct evaluation of configurational free energy for large systems. The present approach is based on the statistical information of lattice. Through first-principles-based…

Measurements of energy separations in highly charged ions can in many cases nowadays be performed with very high accuracy, an accuracy that sometimes cannot be matched by the corresponding theoretical calcula- tions. Furthermore, it has…

We propose an Expected Free Energy-based acquisition function for Bayesian optimization to solve the joint learning and optimization problem, i.e., optimize and learn the underlying function simultaneously. We show that, under specific…

The microgrids design for remote locations represents one of the most important and critical applications of the microgrid concept. It requires the correct sizing and the proper utilization of the different sources to guarantee the…

In this paper, the problem of energy efficient transmission and computation resource allocation for federated learning (FL) over wireless communication networks is investigated. In the considered model, each user exploits limited local…

We consider a family of directed exponential random graph models parametrized by edges and outward stars. Much of the important statistical content of such models is given by the normalization constant of the models, and in particular, an…