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Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances…

Quantitative Methods · Quantitative Biology 2025-12-23 Mamoru Saita , Yutaka Hori

Systems of active particles can show a large variety of collective behavior. In theory, two aspects determine the collective behavior: the model at the particle level and the parameter regime. While many studies consider a single model and…

Soft Condensed Matter · Physics 2025-11-17 Colin-Marius Koch , Michael Wilczek

Novel significance tests are proposed for the quite general additive concurrent model formulation without the need of model, error structure preliminary estimation or the use of tuning parameters. Making use of the martingale difference…

In systems with slow reaction kinetics, such as mineral dissolution processes, chemical equilibrium cannot be assumed and an accurate understanding of reaction rates is essential; discrepancies in parameter reporting can greatly affect…

Computational Engineering, Finance, and Science · Computer Science 2025-01-10 Fiona J. Weiss , Leon Keim , Kai Wendel , Holger Class

Accurate low dimension chemical kinetic models for methane are an essential component in the design of efficient gas turbine combustors. Kinetic models coupled to computational fluid dynamics (CFD) provide quick and efficient ways to test…

Chemical Physics · Physics 2022-06-10 Mark Kelly , Gilles Bourque , Stephen Dooley

The rapid progress and widespread deployment of LLMs and LLM-powered agents has outpaced our ability to evaluate them. Hand-crafted, static benchmarks are the primary tool for assessing model capabilities, but these quickly become…

Software Engineering · Computer Science 2025-10-30 Amanda Dsouza , Harit Vishwakarma , Zhengyang Qi , Justin Bauer , Derek Pham , Thomas Walshe , Armin Parchami , Frederic Sala , Paroma Varma

This study is a first step towards using data-informed differential models to predict and control the dynamics of cancer-on-chip experiments. We consider a conceptualized one-dimensional device, containing a cancer and a population of white…

Computational Engineering, Finance, and Science · Computer Science 2026-02-06 Silvia Bertoluzza , Vittoria Bianchi , Gabriella Bretti , Lorenzo Tamellini , Pietro Zanotti

Successful modeling of degradation performance data is essential for accurate reliability assessment and failure predictions of highly reliable product units. The degradation performance measurements over time are highly heterogeneous. Such…

Applications · Statistics 2021-08-17 Xuxue Sun , Wenjun Cai , Qiong Zhang , Mingyang Li

Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for…

Computational Physics · Physics 2017-03-31 Kyle E. Niemeyer , Nicholas J. Curtis , Chih-Jen Sung

In the present work we compare reliability of several most widely used reduced detailed chemical kinetic schemes for hydrogen-air and hydrogen-oxygen combustible mixtures. The validation of the schemes includes detailed analysis of 0D and…

Fluid Dynamics · Physics 2013-12-13 M. F. Ivanov , A. D. Kiverin , M. A. Liberman , A. E Smygalina

Dynamic modelling is one of the cornerstones of systems biology. Many research efforts are currently being invested in the development and exploitation of large-scale kinetic models. The associated problems of parameter estimation (model…

Pretrained transformers achieve the state of the art across tasks in natural language processing, motivating researchers to investigate their inner mechanisms. One common direction is to understand what features are important for…

Computation and Language · Computer Science 2021-08-06 Zhiying Jiang , Raphael Tang , Ji Xin , Jimmy Lin

Parameter-efficient tuning (PET) methods can effectively drive extremely large pre-trained language models (PLMs) by training only minimal parameters. Different PET methods utilize different manually designed tunable modules. In small PLMs,…

Computation and Language · Computer Science 2023-12-19 Yusheng Su , Chi-Min Chan , Jiali Cheng , Yujia Qin , Yankai Lin , Shengding Hu , Zonghan Yang , Ning Ding , Xingzhi Sun , Guotong Xie , Zhiyuan Liu , Maosong Sun

Measures of discrepancy between probability distributions (statistical distance) are widely used in the fields of artificial intelligence and machine learning. We describe how certain measures of statistical distance can be implemented as…

Accelerator Physics · Physics 2022-12-21 Chad E. Mitchell , Robert D. Ryne , Kilean Hwang

Predictive flame spread models based on temperature dependent pyrolysis rates require numerous material properties as input parameters. These parameters are typically derived by optimisation and inverse modelling using data from bench scale…

Fluid Dynamics · Physics 2023-10-06 Tássia L. S. Quaresma , Tristan Hehnen , Lukas Arnold

The need for improved engine efficiencies has motivated the development of high-pressure combustion systems, in which operating conditions achieve and exceed critical conditions. Associated with these conditions are strong variations in…

Fluid Dynamics · Physics 2018-09-25 Matthias Ihme , Peter C. Ma , Luis Bravo

Predictive simulations of mixed plasma discharges, like deuterium-tritium plasmas, rely on self-consistent models for particle transport. These models have to be validated with interpretive analysis of existing experiments. Accounting for…

This work deals with the inference of catalytic recombination parameters from plasma wind tunnel experiments for reusable thermal protection materials. One of the critical factors affecting the performance of such materials is the…

Data Analysis, Statistics and Probability · Physics 2021-12-07 Anabel del Val , Olivier P. Le Maître , Olivier Chazot , Thierry E. Magin , Pietro M. Congedo

The Geant4 toolkit is used extensively in high energy physics to simulate the passage of particles through matter and to predict effects such as detector efficiencies and smearing. Geant4 uses many underlying models to predict particle…

Instrumentation and Detectors · Physics 2020-06-17 V. Elvira , L. Fields , K. L. Genser , R. Hatcher , V. Ivanchenko , M. Kelsey , T. Koi , G. N. Perdue , A. Ribon , V. Uzhinsky , D. H. Wright , J. Yarba , S. Y. Jun

Metabonomics time-course experiments provide the opportunity to understand the changes to an organism by observing the evolution of metabolic profiles in response to internal or external stimuli. Along with other omic longitudinal profiling…

Applications · Statistics 2018-04-09 Takoua Jendoubi , Timothy M. D. Ebbels