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We address the problem of merging graph and feature-space information while learning a metric from structured data. Existing algorithms tackle the problem in an asymmetric way, by either extracting vectorized summaries of the graph…

机器学习 · 计算机科学 2020-02-17 Nicolo Colombo

Accurate and efficient circuit models are necessary to control the power electronic circuits found on plasma physics experiments. Tuning and controlling the behavior of these circuits is inextricably linked to plasma performance. Linear…

A novel combination of data analysis techniques is proposed for the reconstruction of all tracks of primary charged particles, as well as of daughters of displaced vertices (decays, photon conversions, nuclear interactions), created in high…

仪器与探测器 · 物理学 2019-10-16 Ferenc Siklér

The quantum mechanical treatment of diffraction of particles, based on the standard postulates of quantum mechanics and the postulate of existence of quantum trajectories, leads to the `position measurement-induced collapse' (PMIC) states.…

量子物理 · 物理学 2026-04-28 Moncy V. John , Kiran Mathew

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

化学物理 · 物理学 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

For energy-efficient computation in specialized neuromorphic hardware, we present spiking neural coding, an instantiation of a family of artificial neural models grounded in the theory of predictive coding. This model, the first of its…

神经与进化计算 · 计算机科学 2022-08-09 Alexander Ororbia

A micromorphic computational homogenization framework has recently been developed to deal with materials showing long-range correlated interactions, i.e. displaying patterning modes. Typical examples of such materials are elastomeric…

软凝聚态物质 · 物理学 2024-06-21 S. Maraghechi , O. Rokoš , R. H. J. Peerlings , M. G. D. Geers , J. P. M. Hoefnagels

The use of high-dimensional data for targeted therapeutic interventions requires new ways to characterize the heterogeneity observed across subgroups of a specific population. In particular, models for partially exchangeable data are needed…

统计方法学 · 统计学 2020-08-18 Francesco Denti , Federico Camerlenghi , Michele Guindani , Antonietta Mira

Data-driven prediction of molecular properties presents unique challenges to the design of machine learning methods concerning data structure/dimensionality, symmetry adaption, and confidence management. In this paper, we present a…

机器学习 · 计算机科学 2019-01-31 Yu-Hang Tang , Wibe A. de Jong

We present a scaling theory describing the collapse of a homopolymer chain in poor solvent. At time t after the beginning of the collapse, the original Gaussian chain of length N is streamlined to form N/g segments of length R(t), each…

软凝聚态物质 · 物理学 2009-11-07 Cameron F. Abrams , Namkyung Lee , Sergei Obukhov

Biclustering algorithms play a central role in the biotechnological and biomedical domains. The knowledge extracted supports the extraction of putative regulatory modules, essential to understanding diseases, aiding therapy research, and…

数据库 · 计算机科学 2022-12-13 Leonardo Alexandre , Rafael S. Costa , Rui Henriques

A probabilistic clustering algorithm is proposed for the analysis of forensic DNA mixtures in which individual cells are isolated and short tandem repeats are amplified using the polymerase chain reaction to generate single cell…

应用统计 · 统计学 2025-10-14 Robert G. Cowell

We proposed a novel approach to coherent imaging of dynamic samples. The inter-frame similarity of the sample's local structures is found to be a powerful constraint in phasing a sequence of diffraction patterns. We devised a new image…

光学 · 物理学 2024-07-11 Pengju Sheng , Fucai Zhang

The automated analysis of medical time series, such as the electrocardiogram (ECG), electroencephalogram (EEG), pulse oximetry, etc, has the potential to serve as a valuable tool for diagnostic decisions, allowing for remote monitoring of…

The adoption of "human-in-the-loop" paradigms in computer vision and machine learning is leading to various applications where the actual data acquisition (e.g., human supervision) and the underlying inference algorithms are closely…

计算机视觉与模式识别 · 计算机科学 2020-08-13 Won Hwa Kim , Mona Jalal , Seongjae Hwang , Sterling C. Johnson , Vikas Singh

We theorize that phylogenetic profiles provide a quantitative method that can relate the structural and functional properties of proteins, as well as their evolutionary relationships. A key feature of phylogenetic profiles is the…

定量方法 · 定量生物学 2009-11-04 Yoojin Hong , Jaewoo Kang , Dongwon Lee , Randen L. Patterson , Damian B. van Rossum

X-ray free electron laser (XFEL) experiments have brought unique capabilities and opened new directions in research, such as creating new states of matter or directly measuring atomic motion. One such area is the ability to use finely…

Integrative modeling enables structure determination for large macromolecular assemblies by combining data from multiple sources of experiment data with theoretical and computational predictions. Recent advancements in AI-based structure…

生物大分子 · 定量生物学 2025-01-24 Kartik Majila , Shreyas Arvindekar , Muskaan Jindal , Shruthi Viswanath

Intrinsically disordered proteins (IDPs) do not possess well-defined three-dimensional structures in solution under physiological conditions. We develop all-atom, united-atom, and coarse-grained Langevin dynamics simulations for the IDP…