Watts If? A Benchmark for Counterfactual Reasoning About the AI Data Center Buildout

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.

The emerging of large language models (LLMs) has posed significant challenges to the thermal management of data center. Intense GPU computation for LLMs results in localized hotspots. Moreover, spiking thermal loads during training and inference bursts make real-time cooling response more difficult to predict and control. Thermal-aware capacity planning of data center requires massive expensive high-fidelity CFD simulations. AI models can perform real-time prediction for unseen designs. However, existing works either have large prediction error, or have over-simplified assumptions for data center operations. This work presents an AI-driven framework that can perform thermal-aware capacity planning for a real-world data center in seconds. The embedded AI model learns from numerous key parameters (rack power, server power, server placement, HVAC settings etc.), and provides temperature prediction within milliseconds. This AI model is tested against high-fidelity CFD simulations, and results show that for unseen data center designs, model can achieve high accuracy with 10000X speedup. Driven by the AI model, the authors design the thermal-aware capacity planning framework. This framework can help data center designers and operators instantaneously optimize both workload distribution and HVAC cooling efficiency.

We describe a methodology for estimating the per-token energy cost of cloud-hosted large language model (LLM) inference, separating between input (prefill) and output (decode) tokens. Graphics processing unit (GPU) energy usage is measured during inference benchmarking with open-weights models on a wide range of text-based tasks. The remaining server energy contribution from non-GPU hardware is estimated from the inference wall time. Bayesian linear regression is used to model the relationship between energy per token and LLM size, request traffic, and hardware deployment configuration. Proprietary frontier LLMs of unknown size and deployment are binned into size buckets based on naming conventions and performance priors, and the space of possible LLM configurations is sampled with Monte-Carlo methods to give a representative average energy per token and uncertainty. We also describe how these energy measurements can be used to estimate the carbon-dioxide equivalent ($\mathrm{CO_2\text{-}eq}$) emissions, both usage and embodied, and water consumed per token of AI inference. This methodology provides actionable data that enables reductions in cost, electricity usage, $\mathrm{CO_2\text{-}eq}$ emitted and water consumed in cloud and Software as a Service (SaaS).