Anvita Bhagavathula

Sara Malvar, Anvita Bhagavathula, Maria Angels de Luis Balaguer et al.

Food protein digestibility and bioavailability are critical aspects in addressing human nutritional demands, particularly when seeking sustainable alternatives to animal-based proteins. In this study, we propose a machine learning approach to predict the true ileal digestibility coefficient of food items. The model makes use of a unique curated dataset that combines nutritional information from different foods with FASTA sequences of some of their protein families. We extracted the biochemical properties of the proteins and combined these properties with embeddings from a Transformer-based protein Language Model (pLM). In addition, we used SHAP to identify features that contribute most to the model prediction and provide interpretability. This first AI-based model for predicting food protein digestibility has an accuracy of 90% compared to existing experimental techniques. With this accuracy, our model can eliminate the need for lengthy in-vivo or in-vitro experiments, making the process of creating new foods faster, cheaper, and more ethical.

Ana K. Rivera, Anvita Bhagavathula, Alvaro Carbonero et al.

Power flow (PF) calculations are the backbone of real-time grid operations, across workflows such as contingency analysis (where repeated PF evaluations assess grid security under outages) and topology optimization (which involves PF-based searches over combinatorially large action spaces). Running these calculations at operational timescales or across large evaluation spaces remains a major computational bottleneck. Additionally, growing uncertainty in power system operations from the integration of renewables and climate-induced extreme weather also calls for tools that can accurately and efficiently simulate a wide range of scenarios and operating conditions. Machine learning methods offer a potential speedup over traditional solvers, but their performance has not been systematically assessed on benchmarks that capture real-world variability. This paper introduces PF$Δ$, a benchmark dataset for power flow that captures diverse variations in load, generation, and topology. PF$Δ$ contains 859,800 solved power flow instances spanning six different bus system sizes, capturing three types of contingency scenarios (N , N -1, and N -2), and including close-to-infeasible cases near steady-state voltage stability limits. We evaluate traditional solvers and GNN-based methods, highlighting key areas where existing approaches struggle, and identifying open problems for future research. Our dataset is available at https://huggingface.co/datasets/pfdelta/pfdelta/tree/main and our code with data generation scripts and model implementations is at https://github.com/MOSSLab-MIT/pfdelta.

Khai Nguyen, Petros Ellinas, Anvita Bhagavathula et al.

To scale the solution of optimization and simulation problems, prior work has explored machine-learning surrogates that inexpensively map problem parameters to corresponding solutions. Commonly used approaches, including supervised and self-supervised learning with either soft or hard feasibility enforcement, face inherent challenges such as reliance on expensive, high-quality labels or difficult optimization landscapes. To address their trade-offs, we propose a novel framework that first collects "cheap" imperfect labels, then performs supervised pretraining, and finally refines the model through self-supervised learning to improve overall performance. Our theoretical analysis and merit-based criterion show that labeled data need only place the model within a basin of attraction, confirming that only modest numbers of inexact labels and training epochs are required. We empirically validate our simple three-stage strategy across challenging domains, including nonconvex constrained optimization, power-grid operation, and stiff dynamical systems, and show that it yields faster convergence; improved accuracy, feasibility, and optimality; and up to 59x reductions in total offline cost.