Light is shed on the effect of dissimilarity between train and test feature distributions on forecasting models, compares deep learning versus non-deep learning models, and introduces modifications that are effective for non-deep learning models.
Abstract
The impact of climate variability on food production has led to the creation of various forecasting models that uses machine learning (ML), numerical weather predictors (NWP) or a hybrid of ML-NWP models to identify structural and physical relationships between meteorological drivers and crop growth, in order to predict crop yield. Droughts, for example the 2012 Midwestern US (Corn Belt) drought, are extreme events that affect crop production and test the limits of these forecasting models. Using 16 meteorological drivers as predictors, we compare ML (non-deep learning) and deep learning forecasting models to predict the county-level corn yield for the extreme drought year, 2012. This forecasting problem is characterized by a dissimilarity between the feature distributions of the training and test data, where the meteorological conditions of the extreme drought year fall outside the range of historically observed values. Additionally, the dataset consists of spatial and temporal irregularities where counties with missing yields introduce spatial sparsity and the use of only a subset of daily values per year introduce temporal sparsity. To overcome this, we use sample weighting and feature selection as modifications to improve our forecasting models. These modifications lead to an improvement for ML models; however, the deep learning model VITA shows little to no improvement. While VITA outperforms the ML models with or without modifications, our current study sheds light on the effect of dissimilarity between train and test feature distributions on forecasting models, compares deep learning versus non-deep learning models, and introduces modifications that are effective for non-deep learning models.
This article investigates several physics-informed and hybrid machine learning strategies that incorporate physics knowledge in experimental data-driven deep-learning models for predicting the bond quality and porosity of fused filament fabrication (FFF) parts. Three types of strategies are explored to incorporate physics constraints and multi-physics FFF simulation results into a deep neural network (DNN), thus ensuring consistency with physical laws: (1) incorporate physics constraints within the loss function of the DNN, (2) use physics model outputs as additional inputs to the DNN model, and (3) pre-train a DNN model with physics model input-output and then update it with experimental data. These strategies help to enforce a physically consistent relationship between bond quality and tensile strength, thus making porosity predictions physically meaningful. Eight different combinations of the above strategies are investigated. The results show how the combination of multiple strategies produces accurate machine learning models even with limited experimental data.
B. Kapusuzoglu, S. Mahadevan· JOM· 79 citations· ⚡2
This work introduces a pioneering exploration of Self-Supervised Learning (SSL) within the SNN, and proposes a novel Spiking Self-Attention (SSA) and Spiking Transformer (Spikformer) that achieves 80+% accuracy on ImageNet.
Zhaokun Zhou, Kaiwei Che, Wei Fang et al.· arXiv.org· 69 citations· ⚡10
This paper considers global sensitivity analysis (GSA) for situations where both a physics-based model and experimental observations are available, and investigates physics-informed machine learning strategies to effectively combine the two sources of information in order to maximize the accuracy of the sensitivity estimate.
B. Kapusuzoglu, S. Mahadevan· Reliability Engineering & Sy...· 45 citations
EquiPocket is proposed, an E(3)-equivariant Graph Neural Network for binding site prediction, which comprises three modules: the first one to extract local geometric information for each surface atom, the second one to model both the chemical and spatial structure of protein and the last one to capture the geometry of the surface via equivariant message passing over the surface atoms.
Yang Zhang, Wenbing Huang, Zhewei Wei et al.· International Conference on...· 43 citations· ⚡4
An adaptive surrogate modeling method for problems with very high-dimensional spatio-temporal outputs is developed that combines exploration and exploitation to improve the surrogate model accuracy with the fewest possible runs of the expensive physics-based model.
B. Kapusuzoglu, S. Mahadevan, Shunsaku Matsumoto et al.· Structural And Multidiscipli...· 17 citations
An improved variant of nearest neighbors (NN) for estimation with missing data in latent factor models that provides a (near-)quadratic improvement in the non-asymptotic error and admits a significantly narrower asymptotic confidence interval when compared to both unit-unit or time-time NN.
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
MIT News · Artificial Intelligence· news.mit.eduAug 24, 2026
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.