Bahdan Zviazhynski

Jessica C. Forsdyke, Bahdan Zviazhynski, Janet M. Lees et al.

Development of robust concrete mixes with a lower environmental impact is challenging due to natural variability in constituent materials and a multitude of possible combinations of mix proportions. Making reliable property predictions with machine learning can facilitate performance-based specification of concrete, reducing material inefficiencies and improving the sustainability of concrete construction. In this work, we develop a machine learning algorithm that can utilize intermediate target variables and their associated noise to predict the final target variable. We apply the methodology to specify a concrete mix that has high resistance to carbonation, and another concrete mix that has low environmental impact. Both mixes also fulfill targets on the strength, density, and cost. The specified mixes are experimentally validated against their predictions. Our generic methodology enables the exploitation of noise in machine learning, which has a broad range of applications in structural engineering and beyond.

Bahdan Zviazhynski, Gareth Conduit

Noise and uncertainty are usually the enemy of machine learning, noise in training data leads to uncertainty and inaccuracy in the predictions. However, we develop a machine learning architecture that extracts crucial information out of the noise itself to improve the predictions. The phenomenology computes and then utilizes uncertainty in one target variable to predict a second target variable. We apply this formalism to PbZr$_{0.7}$Sn$_{0.3}$O$_{3}$ crystal, using the uncertainty in dielectric constant to extrapolate heat capacity, correctly predicting a phase transition that otherwise cannot be extrapolated. For the second example -- single-particle diffraction of droplets -- we utilize the particle count together with its uncertainty to extrapolate the ground truth diffraction amplitude, delivering better predictions than when we utilize only the particle count. Our generic formalism enables the exploitation of uncertainty in machine learning, which has a broad range of applications in the physical sciences and beyond.