相关论文: On meeting Energy Balance Errors in Cosimulations

Cosimulation methods allow combination of simulation tools of physical systems running in parallel to act as a single simulation environment for a big system. As data is passed across subsystem boundaries instead of solving the system as…

In engineering, it is a common desire to couple existing simulation tools together into one big system by passing information from subsystems as parameters into the subsystems under influence. As executed at fixed time points, this data…

Energy system optimization models are becoming increasingly popular for analyzing energy markets, such as the impact of new policies or interactions between energy carriers. One key challenge of these models is the trade-off between…

When two simulation units in a continuous-time co-simulation are connected via some variable $q$, and both simulation units have an internal state which represents the time integral of $q$, there will generally be a discrepancy between…

The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…

Here, we study the flow of energy between coupled simulators in a co-simulation environment using the concept of power bonds. We introduce energy residuals which are a direct expression of the coupling errors and hence the accuracy of…

Simulated events are key ingredients in almost all high-energy physics analyses. However, imperfections in the simulation can lead to sizeable differences between the observed data and simulated events. The effects of such mismodelling on…

Selected configuration interaction (SCI) methods have emerged as state-of-the-art methodologies for achieving high accuracy and generating benchmark reference data for ground and excited states in small molecular systems. However, their…

Calculating free energy differences is a topic of substantial interest and has many applications including molecular docking and hydration, solvation, and binding free energies which is used in computational drug discovery. However, in…

Is perfect error correction always worth the trouble? A framework is presented for the analysis of error detection and correction in multi-level systems of communication that takes into account degrees of freedom attended and ignored by…

In many physically realistic models of quantum computation, Pauli exchange interactions cause a special type of two-qubit errors, called exchange errors, to occur as a first order effect of couplings within the computer. We discuss the…

Using a dynamical model to make predictions about a system has many sources of error. These can include errors in how the model was initialised but also errors in the dynamics of the model itself. For many applications in data assimilation,…

Noise and errors are inevitable parts of any practical implementation of a quantum computer. As a result, large-scale quantum computation will require ways to detect and correct errors on quantum information. Here, we present such a quantum…

Proposals for quantum computing devices are many and varied. They each have unique noise processes that make none of them fully reliable at this time. There are several error correction/avoidance techniques which are valuable for reducing…

It has recently been shown that small quantum subsystems generically equilibrate, in the sense that they spend most of the time close to a fixed equilibrium state. This relies on just two assumptions: that the state is spread over many…

A general framework to describe a vast majority of biology-inspired systems is to model them as stochastic processes in which multiple couplings are in play at the same time. Molecular motors, chemical reaction networks, catalytic enzymes,…

In parallel iterative applications, computational efficiency is essential for addressing large problems. Load imbalance is one of the major performance degradation factors of parallel applications. Therefore, distributing, cleverly, and as…

Training on class-imbalanced data usually results in biased models that tend to predict samples into the majority classes, which is a common and notorious problem. From the perspective of energy-based model, we demonstrate that the free…

The fuel-driven process of replication in living systems generates distributions of copied entities with varying degrees of copying accuracy. Here we introduce a thermodynamically consistent ensemble for investigating universal population…

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…