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Search · four archives
14 papers · ranked by Valyu relevance
Kosuke Hamazaki, Hiroyoshi Iwata, Koji Tsuda
Differentiable programming frameworks like PyTorch and JAX revolutionized biological modeling. A foremost merit is that multiple components programmed separately can be put together so that the parameters are jointly optimized. Despite its proven value in agricultural applications, existing breeding simulators are…
Leonard Schmiester, Daniel Weindl, Jan Hasenauer
Unknown parameters of dynamical models are commonly estimated from experimental data. However, while various efficient optimization and uncertainty analysis methods have been proposed for quantitative data, methods for qualitative data are rare and suffer from bad scaling and convergence. Here, we propose an efficient…
Ziyu Chen, Tingli Hu, Sami Haddadin, David W. Franklin
Muscle path modeling is more than just routing a cable that visually represents the muscle, but rather it defines how moment arms vary with different joint configurations. The muscle moment arm is the factor that translates muscle force into joint moment, and this property has an impact on the accuracy of…
Kazunori D Yamada
In the deep learning era, a gradient descent method is the most common method to optimize parameters of neural networks. Among various mathematical optimization methods, a gradient descent method is the most naive method. Although controlling a learning rate of the method is necessary for quick convergence, the…
Jacob Huth, Timothée Masquelier, Angelo Arleo
We developed Convis, a Python simulation toolbox for large scale neural populations which offers arbitrary receptive fields by 3D convolutions executed on a graphics card. The resulting software proves to be flexible and easily extensible in Python, while building on the PyTorch library [27], which was previously used…
Huaxu Yu, Puja Biswas, Elizabeth Rideout, Yankai Cao + 1 more
Liquid chromatography (LC) with gradient elution is a routine practice for separating complex chemical mixtures in mass spectrometry (MS)-based untargeted analysis. Despite its prevalence, systematic optimization of LC gradients has remained challenging. Here we develop a Bayesian optimization method, BAGO, for…
Tarun Khajuria, Kadi Tulver, Jaan Aru
Human vision is not merely a passive process of interpreting sensory input but can also function as a problem-solving process incorporating generative mechanisms to interpret ambiguous or noisy data. This synergy between the generative and discriminative components, often described as analysis-by-synthesis, enables…
Paul Stapor, Leonard Schmiester, Christoph Wierling, Bodo M.H. Lange + 2 more
Quantitative dynamical models are widely used to study cellular signal processing. A critical step in modeling is the estimation of unknown model parameters from experimental data. As model sizes and datasets are steadily growing, established parameter optimization approaches for mechanistic models become…
Alejandro F. Villaverde, Fabian Fröhlich, Daniel Weindl, Jan Hasenauer + 1 more
Mechanistic kinetic models usually contain unknown parameters, which need to be estimated by optimizing the fit of the model to experimental data. This task can be computationally challenging due to the presence of local optima and ill-conditioning. While a variety of optimization methods have been suggested to…
Philippe A. Robert, Henrik Jönsson, Michael Meyer-Hermann
The modelling of biological systems often consists into differential equation models that need to be fitted to experimental data. During this complex process, the practical experience of the biologist and the theoretical abstraction of the modeller require back-and-forth refinements of the model, design of new…
Georges Czaplicki, Serge Mazeres
Model validation depends on the agreement between the predicted and experimental data. However, finding solutions to problems, described by equations with many parameters, for which virtually nothing is known, is a difficult task. For example, the extraction of kinetic parameters from complex schemes representing the…
Fabian Fröhlich, Barbara Kaltenbacher, Fabian J. Theis, Jan Hasenauer
Mechanistic mathematical modeling of biochemical reaction networks using ordinary differential equation (ODE) models has improved our understanding of small-and medium-scale biological processes. While the same should in principle hold for large-and genome-scale processes, the computational methods for the analysis of…
Máté Mohácsi, Márk Patrik Török, Sára Sáray, Luca Tar + 1 more
Finding optimal parameters for detailed neuronal models is a ubiquitous challenge in neuroscientific research. Recently, manual model tuning has been replaced by automated parameter search using a variety of different tools and methods. However, using most of these software tools and choosing the most appropriate…
Adithya Sagar, Rachel LeCover, Christine Shoemaker, Jeffrey Varner
Mathematical modeling is a powerful tool to analyze, and ultimately design biochemical networks. However, the estimation of the parameters that appear in biochemical models is a significant challenge. Parameter estimation typically involves expensive function evaluations and noisy data, making it difficult to quickly…