Abstract: The rapid scaling of Large Language Models (LLMs) has significantly increased computational cost, energy consumption, and inference latency, making accurate estimation essential for sustainable artificial intelligence deployment and hardware-aware design. In this work, we introduce Hybrid Modeling for Energy and Latency of LLMs (HYMELL), a hybrid three-level framework for estimating LLM inference latency and energy by combining analytical modeling with machine learning (ML). HYMELL models LLM execution through a three-level hierarchy: analytical estimation of primitive operations, ML prediction of higher-level components, and an end-to-end model that captures system-level overheads across both prefill and decode phases. The framework supports diverse architectures, including dense and mixture-of-experts (MoE) feed-forward networks (FFNs), as well as multi-head attention (MHA) and grouped-query attention (GQA) mechanisms. Evaluated on an NVIDIA H100 graphics processing unit (GPU), HYMELL achieves high predictive accuracy; notably, for LLaMA 3 8B, it attains less than 5% error for both prefill and decode phases. By predicting execution costs directly from architectural parameters, it enables fast, hardware-free design space exploration and energy-efficient optimization.
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