Related papers: Speeding Up Computer Simulations: The Transition O…
Metadynamics is a powerful method to accelerate molecular dynamics simulations, but its efficiency critically depends on the identification of collective variables that capture the slow modes of the process. Unfortunately, collective…
In this paper we present an introduction to the area of computability in dynamical systems. This is a fairly new field which has received quite some attention in recent years. One of the central questions in this area is if relevant…
Recent advancements in hardware accelerators such as Tensor Processing Units (TPUs) speed up computation time relative to Central Processing Units (CPUs) not only for machine learning but, as demonstrated here, also for scientific modeling…
The importance of simulation at machine level in industrial environments is steadily increasing especially in the design and commissioning phase. Using models during the operation phase together with the real machine or plant is referred to…
This paper discusses about the advantage of using asynchronous simulation in the case of interactive simulation in which user can steer and control parameters during a simulation in progress. synchronous models allow to compute each…
When designing systems that are complex, dynamic and stochastic in nature, simulation is generally recognised as one of the best design support technologies, and a valuable aid in the strategic and tactical decision making process. A…
Optimization-based falsification employs stochastic optimization algorithms to search for error input of hybrid systems. In this paper we introduce a simple idea to enhance falsification, namely time staging, that allows the time-causal…
Quantum coherence allows the computation of an arbitrary number of distinct computational paths in parallel. Based on quantum parallelism it has been conjectured that exponential or even larger speedups of computations are possible. Here it…
We introduce dynamic nested sampling: a generalisation of the nested sampling algorithm in which the number of "live points" varies to allocate samples more efficiently. In empirical tests the new method significantly improves calculation…
The last decade has seen an explosive growth of interest in exploiting developments in machine learning to accelerate lattice QCD calculations. On the sampling side, generative models are a promising approach to mitigating critical slowing…
Simulating the stochastic evolution of real quantities on a digital computer requires a trade-off between the precision to which these quantities are approximated, and the memory required to store them. The statistical accuracy of the…
We propose a method to "create" a new measurement output by exciting the system with a high-frequency oscillation. This new "virtual" measurement may be useful to facilitate the design of a suitable control law. The approach is especially…
We propose a computationally efficient method to solve the dynamics of operators of bosonic quantum systems coupled to their environments. The method maps the operator under interest to a set of complex-valued functions, and its adjoint…
We derive a novel efficient scheme to measure the rate constant of transitions between stable states separated by high free energy barriers in a complex environment within the framework of transition path sampling. The method is based on…
How can we plan efficiently in a large and complex environment when the time budget is limited? Given the original simulator of the environment, which may be computationally very demanding, we propose to learn online an approximate but much…
The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems…
System and synthetic biology are rapidly evolving systems, but both lack tools such as those used in engineering environments to shift the their focus from the design of parts (details) to the design of systems (behaviors); to aggravate,…
The Fast Marching Method is a very popular algorithm to compute times-of-arrival maps (distances map measured in time units). Since their proposal in 1995, it has been applied to many different applications such as robotics, medical…
The computer revolution has been driven by a sustained increase of computational speed of approximately one order of magnitude (a factor of ten) every five years since about 1950. In natural sciences this has led to a continuous increase of…
By means of the notion of umbrae indexed by multisets, a general method to express estimators and their products in terms of power sums is derived. A connection between the notion of multiset and integer partition leads immediately to a way…