Related papers: Incorporation of Internal Coordinates Interpolatio…
In this paper, a new fractional step method is proposed for simulating stiff and nonstiff chemically reacting flows. In stiff cases, a well-known spurious numerical phenomenon, i.e. the incorrect propagation speed of discontinuities, may be…
We propose and analyse a method that allows for the production of squeezed states of the atomic center-of-mass motion that can be injected into an atom interferometer. Our scheme employs dispersive probing in a ring resonator on a narrow…
We theoretically investigate the application of the fringe-locking method (FLM) in the dual-species quantum test of the weak equivalence principle (WEP). With the FLM, the measurement is performed invariably at the midfringe, and the…
Instanton theory is an established method to calculate rate constants of chemical reactions including atom tunneling. Technical and methodological improvements increased its applicability. Still, a large number of energy and gradient…
Interferometry of single particles with internal degrees of freedom is investigated. We discuss the interference patterns obtained when an internal state evolution device is inserted into one or both the paths of the interferometer. The…
This paper focuses on the hypothesis of optimizing time series predictions using fractal interpolation techniques. In general, the accuracy of machine learning model predictions is closely related to the quality and quantitative aspects of…
In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number of methods and protocols have been developed to extract the…
We present a source engineering concept for a binary quantum mixture suitable as input for differential, precision atom interferometry with drift times of several seconds. To solve the non-linear dynamics of the mixture, we develop a set of…
Computing accurate periodic responses in strongly nonlinear or even non-smooth vibration systems remains a fundamental challenge in nonlinear dynamics. Existing numerical methods, such as the Harmonic Balance Method (HBM) and the Shooting…
The structural dynamics of biological macromolecules, such as proteins, DNA/RNA, or their complexes, are strongly influenced by protonation changes of their typically many titratable groups, which explains their pH sensitivity. In turn,…
We uncover an ever-overlooked deficiency in the prevailing Few-Shot Learning (FSL) methods: the pre-trained knowledge is indeed a confounder that limits the performance. This finding is rooted from our causal assumption: a Structural Causal…
We study the computational phase transition in a multi-frequency group synchronization problem, where pairwise relative measurements of group elements are observed across multiple frequency channels and corrupted by Gaussian noise. Using…
This paper introduces a novel frequency-shift chirp spread spectrum (FSCSS) system with index modulation (IM). By using combinations of orthogonal chirp signals for message representation, the proposed FSCSS-IM system is very flexible to…
The rapid advancement of large language models (LLMs) has significantly improved code completion tasks, yet the trade-off between accuracy and computational cost remains a critical challenge. While using larger models and incorporating…
In a recent paper [Int. J. Quant. Chem. (2016) DOI: 10.1002/qua.25144, arXiv:1502.06579] Markovich, Blau, Sanders, and Aspuru-Guzik presented a numerical evaluation and comparison of three methods, Compressed Sensing (CS), Super-Resolution…
Transition states (TSs) are crucial for understanding reaction mechanisms, yet their exploration is limited by the complexity of experimental and computational approaches. Here we propose TS-DFM, a flow matching framework that predicts TSs…
Interacting one-dimensional quantum systems play a pivotal role in physics. Exact solutions can be obtained for the homogeneous case using the Bethe ansatz and bosonisation techniques. However, these approaches are not applicable when…
In this paper, we propose a novel modulation concept which we call \emph{index and composition modulation (ICM)}. In the proposed concept, we use indices of active/deactive codeword elements and compositions of an integer to encode…
Matching promises transparent causal inferences for observational data, making it an intuitive approach for many applications. In practice, however, standard matching methods often perform poorly compared to modern approaches such as…
The presence of a phase transition in a finite system can be deduced, together with its order, from the shape of the distribution of the order parameter. This issue has been extensively studied in multifragmentation experiments, with…