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Life science today involves computational analysis of a large amount and variety of data, such as volumetric data acquired by state-of-the-art microscopes, or mesh data from analysis of such data or simulations. Visualization is often the…

The Riccati-type nonlinear differential equation, also known as the Variable Phase Approach or Phase Function Method, is used to construct local inverse potentials for the \( ^3S_1 \) and \( ^1S_0 \) states of the deuteron. The Morse…

We present vMAP, an object-level dense SLAM system using neural field representations. Each object is represented by a small MLP, enabling efficient, watertight object modelling without the need for 3D priors. As an RGB-D camera browses a…

ViDaExpert is a tool for visualization and analysis of multidimensional vectorial data. ViDaExpert is able to work with data tables of "object-feature" type that might contain numerical feature values as well as textual labels for rows…

The continuum description of active particle systems is an efficient instrument to analyze a finite size particle dynamics in the limit of a large number of particles. However, it is often the case that such equations appear as nonlinear…

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

Parametric optimization is an important product design technique, especially in the context of the modern parametric feature-based CAD paradigm. Realizing its full potential, however, requires a closed loop between CAD and CAE (i.e.,…

libEnsemble is a Python-based toolkit for running dynamic ensembles, developed as part of the DOE Exascale Computing Project. The toolkit utilizes a unique generator--simulator--allocator paradigm, where generators produce input for…

VISSIM is a widely used microscopic traffic simulator, which not only provides a graphical user interface to simulate simple static controls (pre-timed or fixed-time) but also offers flexibility to dynamically control simulation through…

Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…

Variational Quantum Eigensolver (VQE) faces significant challenges due to hardware noise and the presence of barren plateaus and local traps in the optimization landscape. To mitigate the detrimental effects of these issues, we introduce a…

The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this work, we introduce a metric of variational accuracy, the…

Molecular dynamics (MD) simulations allow the exploration of the phase space of biopolymers through the integration of equations of motion of their constituent atoms. The analysis of MD trajectories often relies on the choice of collective…

We present SPUX - a modular framework for Bayesian inference enabling uncertainty quantification and propagation in linear and nonlinear, deterministic and stochastic models, and supporting Bayesian model selection. SPUX can be coupled to…

Sparse superposition codes were originally proposed as a capacity-achieving communication scheme over the gaussian channel, whose coding matrices were made of i.i.d. gaussian entries.We extend this coding scheme to more generic ensembles of…

Videos captured in low-light and underwater conditions often suffer from distortions such as noise, low contrast, color imbalance, and blur. These issues not only limit visibility but also degrade automatic tasks like detection.…

Vision and Language Pretraining has become the prevalent approach for tackling multimodal downstream tasks. The current trend is to move towards ever larger models and pretraining datasets. This computational headlong rush does not seem…

We introduce an open source python framework named PHS - Parallel Hyperparameter Search to enable hyperparameter optimization on numerous compute instances of any arbitrary python function. This is achieved with minimal modifications inside…

We simulate the transformation of a classical fluid into a quantum-like (super)-fluid by the application of a generalized quantum potential through a retro-active loop. This numerical experiment is exemplified in the case of a non-spreading…

On the way towards general Visual Question Answering (VQA) systems that are able to answer arbitrary questions, the need arises for evaluation beyond single-metric leaderboards for specific datasets. To this end, we propose a browser-based…