AI-driven Thermal-aware Data Center Capacity Planning

AI data centers experience rapid fluctuations in power demand due to the heterogeneity of computational tasks that they have to support. For example, the power profile of inference and training of large language models (LLMs) is quite distinct and big divergences can result in the instability of the underlying electricity grid. In this paper we propose, to the best of our knowledge, the first physics-informed DLinear time-series model that can accurately forecast power utilization of an AI data center 5-80 minutes (short-term forecasting) into the future. The physics, based on a multi-node lumped thermal resistance-capacitance (RC) network consistent with Newton's law of cooling, is captured using newly derived time-dependent ordinary differential equations (ODE) that separately models and interlinks power consumption with the GPU compute and memory utilization and temperature. The resulting model, that we refer to as PI-DLinear, trained and evaluated on a real AI data center dataset and is not only more accurate than the state-of-the-art (SOTA) models tested, but the forecast profile respects the underlying physics under power throttling and load transient events. Relative to the SOTA transformer-based and non-transformer-based models, improvements in forecasting accuracy (averaged across all look-back and prediction windows) range from 0.782%-39.08% for MSE, 0.993%-51.82% for MAE, and 0.370%-22.28% for RMSE.

The rapid growth of large-scale AI workloads, particularly Large Language Model (LLM) training and inference, is fundamentally reshaping the operational dynamics of hyperscale data centers. Unlike traditional cloud workloads, AI-driven jobs exhibit bursty, high-intensity, and rapidly shifting resource demands, often leading to sudden capacity stress that cannot be effectively handled by reactive threshold-based mechanisms. In this paper, we propose a deployment-oriented, burst-aware early warning framework for proactive capacity stress prediction under AI workload surges. We formulate the problem as a high-recall forecasting task over multivariate telemetry windows, with the explicit goal of enabling operational intervention before system degradation occurs. The proposed framework integrates workload intensity, temporal variation, and system pressure signals, and employs a lightweight tree-based learning model to capture nonlinear interactions in highly imbalanced environments. To evaluate the system under realistic conditions, we introduce an AI workload surge injection methodology that simulates burst-driven demand patterns observed in large-scale AI systems. Our XGBoost-based model achieves an ROC AUC of 0.697 and an AP of 0.670, significantly outperforming baseline methods. Under deployment-oriented threshold selection, the framework achieves a Recall of 0.914, enabling the detection of the majority of stress-prone periods with acceptable false-alarm cost. Beyond predictive performance, we show how the proposed framework can be integrated into operational control loops to support proactive actions such as workload throttling and resource scaling. Our results highlight the practical value of high-recall, learning-based early warning systems in enabling resilient and adaptive data center operations in the era of AI-driven workloads.

The rapid growth of LLM inference is shifting sustainability concerns from one-time training to continuous serving, where infrastructure decisions shape energy use, carbon emissions, water consumption, and service quality. Yet operators often need to compare deployment alternatives before large-scale infrastructure is built, making direct measurement costly, slow, and sometimes infeasible. We present InFactPlanner, a trace-driven decision-support framework for what-if analysis of sustainable AI data center deployment for LLM inference across single and geo-distributed sites. InFactPlanner combines query traces, hardware-model profiles, candidate site configurations, PUE/WUE parameters, renewable generation models, and time-varying grid carbon intensity to estimate power, energy, carbon emissions, water use, latency, and server utilization. The framework abstracts low-level serving effects into configurable hardware-model profiles, enabling rapid comparison of site selection, capacity placement, hardware, model, renewable integration, and routing choices. We validate the energy accounting pipeline by reproducing reference LLM inference energy estimates with less than 10% deviation, evaluate scalability across multiple data centers and server counts, and demonstrate scenario-driven decision analyses for hardware selection, renewable placement, geographic deployment, and carbon-aware routing. Our results show that sustainability-optimal choices can differ from latency-optimal ones, and that the carbon value of deployment depends strongly on the local grid mix.