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Transition metal chromophores with earth-abundant transition metals are an important design target for their applications in lighting and non-toxic bioimaging, but their design is challenged by the scarcity of complexes that simultaneously…

Chemical Physics · Physics 2022-09-16 Chenru Duan , Aditya Nandy , Gianmarco Terrones , David W. Kastner , Heather J. Kulik

The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated…

Computational Physics · Physics 2015-09-01 Alejandro Gil-Ley , Giovanni Bussi

Motivation: Methods are needed to test pre-defined genomic regions such as promoters for differential methylation in genome-wide association studies, where the number of samples is limited and the data have large amounts of measurement…

Genomics · Quantitative Biology 2014-07-25 Duchwan Ryu , Hongyan Xu , Varghese George , Shaoyong Su , Xiaoling Wang , Huidong Shi , Robert H. Podolsky

We introduce ADAPQUEST, a software tool written in Java for the development of adaptive questionnaires based on Bayesian networks. Adaptiveness is intended here as the dynamical choice of the question sequence on the basis of an evolving…

Artificial Intelligence · Computer Science 2021-12-30 Claudio Bonesana , Francesca Mangili , Alessandro Antonucci

We demonstrate that a dependency parser can be built using a credit assignment compiler which removes the burden of worrying about low-level machine learning details from the parser implementation. The result is a simple parser which…

Computation and Language · Computer Science 2015-05-11 Kai-Wei Chang , He He , Hal Daumé , John Langford

Device-directed speech detection (DDSD) is a binary classification task that separates the user's queries to a voice assistant (VA) from background speech or side conversations. This is important for achieving naturalistic user experience.…

We construct an explicit distribution $\mathbf{D}$ over $\{0,1\}^N$ that exhibits an essentially optimal separation between adaptive and non-adaptive cell-probe sampling. The distribution can be sampled exactly when each output bit is…

Computational Complexity · Computer Science 2026-05-14 Farzan Byramji , Daniel M. Kane , Jackson Morris , Anthony Ostuni

Multiplexed, specific and sensitive detection of antigens is critical for the rapid and accurate diagnosis of disease and the informed development of personalized treatment plans. Here, we show that polymer microsphere lasers can be used as…

Modulator testing involved complex biasing conditions, hardware connections and data analysis. Also, any optical signal distortion due to the grating coupler effect could potentially induce additional difficulty in setting the correct bias…

Data Analysis, Statistics and Probability · Physics 2020-10-13 T. L. Yap , A. Sasidhara , N. X. Ang , X. Guo , W. Wang , K. S. Ang , S. L. Tan

Electrochemical biosensors ("E-AB" or "E-DNA" type sensors) that utilize square-wave voltammetry originated in academic labs with a few standard experimental configurations for the electrochemical cell and data analysis. We report here on…

In DNA computing, it is impossible to decide whether a specific hybridization among complex DNA molecules is effective or not within acceptable time. In order to address this common problem, we introduce a new method based on the machine…

Quantitative Methods · Quantitative Biology 2018-07-03 Weijun Zhu

In this work, we present the design of a new modular and transportable neutron detector for ({\alpha},n) reactions. The detector is based on the use of several 3He-filled proportional counters embedded in high density polyethylene. In order…

Instrumentation and Detectors · Physics 2022-05-05 N Mont-Geli , A Tarifeño-Saldivia , F Calviño , M Pallàs , J L Tain

In The Cancer Genome Atlas (TCGA) data set, there are many interesting nonlinear dependencies between pairs of genes that reveal important relationships and subtypes of cancer. Such genomic data analysis requires a rapid, powerful and…

Applications · Statistics 2022-11-30 Siqi Xiang , Wan Zhang , Siyao Liu , Katherine A. Hoadley , Charles M. Perou , Kai Zhang , J. S. Marron

Microscopy and optical imaging are drastically limited by the inhomogeneities encountered by the light while propagating from the object of interest to the detection system. In this context, adaptive optics and wavefront manipulation are…

Optics · Physics 2017-01-23 Diego Di Battista

Dynamic convolution enhances model capacity by adaptively combining multiple kernels, yet faces critical trade-offs: prior works either (1) incur significant parameter overhead by scaling kernel numbers linearly, (2) compromise inference…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Haiduo Huang , Yadong Zhang , Yinghui Xu , Pengju Ren

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naive Bayes classifier from the machine…

Computational Physics · Physics 2020-12-02 David M. Rogers

Recent progress on salient object detection mainly aims at exploiting how to effectively integrate multi-scale convolutional features in convolutional neural networks (CNNs). Many popular methods impose deep supervision to perform…

Computer Vision and Pattern Recognition · Computer Science 2021-01-21 Yun Liu , Ming-Ming Cheng , Xinyu Zhang , Guang-Yu Nie , Meng Wang

We introduce a model of DNA sequence evolution which can account for biases in mutation rates that depend on the identity of the neighboring bases. An analytic solution for this class of non-equilibrium models is developed by adopting…

Biological Physics · Physics 2007-05-23 Peter F. Arndt , Christopher B. Burge , Terence Hwa

Our article deals with Bayesian inference for a general state space model with the simulated likelihood computed by the particle filter. We show empirically that the partially or fully adapted particle filters can be much more efficient…

Methodology · Statistics 2010-06-11 Michael Pitt , Ralph Silva , Paolo Giordani , Robert Kohn

Microfluidic droplet screens serve as an innovative platform for high-throughput biotechnology, enabling significant advancements in discovery, product optimization, and analysis. This review sheds light on the emerging trend of interaction…

Quantitative Methods · Quantitative Biology 2023-09-11 Carolus Vitalis , Tobias Wenzel