相关论文: Automatic generation of complementary auxiliary ba…
Basis sets of atomic orbitals are very efficient for density functional calculations but lack a systematic variational convergence. We present a variational method to optimize numerical atomic orbitals using a single parameter to control…
Preparing problems for execution on quantum computers can require many compilation steps. Automated compilation software is useful not only for easier and faster problem execution, but also for facilitating the comparison between different…
$\newcommand{\eps}{\varepsilon}$ We observe that a $(1-\eps)$-approximation algorithm to Independent Set, that works for any induced subgraph of the input graph, can be used, via a polynomial time reduction, to provide a…
The unextendible orthogonal matrices (UPBs) can be used for various problems in quantum information. We provide an algorithm to check if two UPBs are non-equivalent to each other. We give a method to construct UPBs and we apply this method…
While high-capacity AI models have advanced state-of-the-art performance, their practical deployment is often hindered by high inference costs, environmental impact, and a "one-size-fits-all" approach that ignores varying sample complexity.…
Motivated by the recently proposed parallel orbital-updating approach in real space method, we propose a parallel orbital-updating based plane-wave basis method for electronic structure calculations, for solving the corresponding eigenvalue…
Core-sets refer to subsets of data that maximize some function that is commonly a diversity or group requirement. These subsets are used in place of the original data to accomplish a given task with comparable or even enhanced performance…
Approximate computing is an emerging paradigm for developing highly energy-efficient computing systems such as various accelerators. In the literature, many libraries of elementary approximate circuits have already been proposed to simplify…
In the past decade, there are many works on the finite element methods for the fully nonlinear Hamilton--Jacobi--Bellman (HJB) equations with Cordes condition. The linearised systems have large condition numbers, which depend not only on…
We present the OGAN algorithm for automatic requirement falsification of cyber-physical systems. System inputs and outputs are represented as piecewise constant signals over time while requirements are expressed in signal temporal logic.…
Accurate sensor calibration is a prerequisite for multi-sensor perception and localization systems for autonomous vehicles. The intrinsic parameter calibration of the sensor is to obtain the mapping relationship inside the sensor, and the…
Unsupervised anomaly detection methods can identify surface defects in industrial images by leveraging only normal samples for training. Due to the risk of overfitting when learning from a single class, anomaly synthesis strategies are…
Development of quantum computation and communication, recently shown to be supported by contextuality, arguably asks for a requisite supply of contextual sets. While that has been achieved in even dimensional spaces, in odd dimensional…
Conformal blocks in odd spacetime dimensions are not known in closed analytic form. To facilitate efficient computations in the conformal bootstrap, we introduce $\texttt{GoBlocks}$: a novel conformal-block generator implemented in the Go…
Inscrutable AI systems are difficult to trust, especially if they operate in safety-critical settings like autonomous driving. Therefore, there is a need to build transparent and queryable systems to increase trust levels. We propose a…
Many Control Systems are indeed Software Based Control Systems, i.e. control systems whose controller consists of control software running on a microcontroller device. This motivates investigation on Formal Model Based Design approaches for…
The combination of different cosmological probes offers stringent tests of the $\Lambda$CDM model and enhanced control of systematics. For this purpose, we present an extension of the lightcone generator UFalcon first introduced in Sgier et…
Covalent Organic Frameworks (COFs) have gained significant popularity in recent years due to their unique ability to provide a high surface area and customizable pore geometry and chemistry. These traits make COFs a highly promising choice…
CHARIS is an IFS designed for imaging and spectroscopy of disks and sub-stellar companions. To improve ease of use and efficiency of science production, we present progress on a fully-automated backend for CHARIS. This Automated Data…
We present an approach for augmenting Gaussian atomic orbitals with correct nuclear cusps. Like the atomic orbital basis set itself, and unlike previous cusp corrections, this approach is independent of the many-body method used to prepare…