4 papers · ranked by Valyu relevance
Authors not listed
Step-by-step thinking is essential in all domains of chemical sciences and engineering. While machine learning tools are broadly used, algorithms that automate reasoning are far less common. We elaborate on seven categories of human reasoning activities and connect each to applications in chemical science and…
Tianfan Jin, Brett M Savoie
Contemporary machine learning algorithms have largely succeeded in automating the development of mathematical models from data. Although this is a striking accomplishment, it leaves unaddressed the multitude of scenarios, especially across the chemical sciences and engineering, where deductive, rather than inductive…
Martin Robinson, Alan Bond, Alexandr Simonov, Jie Zhang + 1 more
Recently, we have introduced the use of techniques drawn from Bayesian statistics to recover kinetic and thermodynamic parameters from voltammetric data, and were able to show that the technique of large amplitude ac voltammetry yielded significantly more accurate parameter values than the equivalent dc approach. In…
Robert Reischke
Confidence contours in parameter space are a helpful tool to compare and classify determined estimators. For more intricate parameter estimations of non-linear nature or complex error structures, the procedure of determining confidence contours is a statistically complex task. For polymer chemists, such particular…