相关论文: CrysFieldExplorer: a software for rapid optimizati…
We present LS-CRF, a new method for very efficient large-scale training of Conditional Random Fields (CRFs). It is inspired by existing closed-form expressions for the maximum likelihood parameters of a generative graphical model with tree…
Novel materials drive advancements in fields ranging from energy storage to electronics, with crystal structure characterization forming a crucial yet challenging step in materials discovery. In this work, we introduce \emph{deCIFer}, an…
Designing scientific instrumentation often requires exploring large, highly constrained design spaces using computationally expensive physics simulations. These simulators pose substantial challenges for integrating evolutionary computation…
We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure…
Cross-Domain Few-Shot Segmentation (CDFSS) is proposed to transfer the pixel-level segmentation capabilities learned from large-scale source-domain datasets to downstream target-domain datasets, with only a few annotated images per class.…
A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward…
Mean field approximation methodology has laid the foundation of modern Continuous Random Field (CRF) based solutions for the refinement of semantic segmentation. In this paper, we propose to relax the hard constraint of mean field…
Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…
Single-spin quantum sensors, for example based on nitrogen-vacancy centres in diamond, provide nanoscale mapping of magnetic fields. In applications where the magnetic field may be changing rapidly, total sensing time is crucial and must be…
This paper deals with the identification of the flux for a system of conservation laws in the specific example of analytic chromatography. The fundamental equations of chromatographic process are highly non linear. The state-of-the-art…
Photometric missions such as Kepler and TESS have generated millions of light curves covering almost the entire sky, offering unprecedented opportunities to study stellar variability and advance our understanding of the Universe. In this…
The process of particle picking, a crucial step in cryo-electron microscopy (cryo-EM) image analysis, often encounters challenges due to outliers, leading to inaccuracies in downstream processing. In response to this challenge, this…
Three-dimensional electron diffraction (3DED) is a powerful technique providing for crystal structure solutions of sub-micron sized crystals too small for structure determination via X-ray techniques. The entry requirement, however, of a…
Exploiting the information provided by electron energy-loss spectroscopy (EELS) requires reliable access to the low-loss region where the zero-loss peak (ZLP) often overwhelms the contributions associated to inelastic scatterings off the…
Tracking of objects in cellular environments has become a vital tool in molecular cell biology. A particularly important example is single molecule tracking which enables the study of the motion of a molecule in cellular environments and…
We study the nucleon electromagnetic form factors (EM FFs) using a recently developed method combining Chiral Effective Field Theory ($\chi$EFT) and dispersion analysis. The spectral functions on the two-pion cut at $t > 4 M_\pi^2$ are…
Crystal electromagnetic calorimeters (ECALs) are essential for high-precision measurements of electrons and photons in particle physics experiments. However, the conventional design, in which long crystal bars point radially toward the…
Track one of CTI competition is on click-through rate (CTR) prediction. The dataset contains millions of records and each field-wise feature in a record consists of hashed integers for privacy. For this task, the keys of network-based…
Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph…
The Manta Ray Foraging Optimization algorithm (MRFO) has proven to be a powerful heuristic strategy in the optimal solution of a large number of engineering problems. In this paper, an improvement of MRFO with Levy Flight is suggested for…