Predictive Modeling of I/O Performance for Machine Learning Training Pipelines: A Data-Driven Approach to Storage Optimization

Modern machine learning training is increasingly bottlenecked by data I/O rather than compute. GPUs often sit idle at below 50% utilization waiting for data. This paper presents a machine learning approach to predict I/O performance and recommend optimal storage configurations for ML training pipelines. We collected 141 observations through systematic benchmarking across different storage backends (NVMe SSD, network-attached storage, in-memory filesystems), data formats, and access patterns, covering both low-level I/O operations and full training pipelines. After evaluating seven regression models and three classification approaches, XGBoost achieved the best performance with R-squared of 0.991, predicting I/O throughput within 11.8% error on average. Feature importance analysis revealed that throughput metrics and batch size are the primary performance drivers. This data-driven approach can reduce configuration time from days of trial-and-error to minutes of predictive recommendation. The methodology is reproducible and extensible to other resource management problems in ML systems. Code and data are available atthis https URL