Theoretical Derivations: Cross-Entropy Loss and Energy Functions in LLMs

This article presents detailed theoretical derivations on loss functions and energy functions in large language models, with practical applications in enterprise software development and improvements in artificial intelligence architectures for businesses.

sábado, 9 de agosto de 2025 • 1 min read • Q2BSTUDIO Team

Artificial-Intelligence-

In this article we present detailed theoretical derivations on loss functions and energy functions in large language models, accompanied by rigorous mathematical proofs with practical applications in enterprise software development.

We begin by analyzing the incomplete gamma function, defining its fundamental property as the integral of a power multiplied by an exponential, and proving its recursive relationship through integration by parts. Next, we present Stirling's approximation for the factorial expressed in terms of the complete gamma function and prove its asymptotic convergence through power series expansion.

The derivation of the cross-entropy loss function is based on maximizing the log-likelihood of the target distribution against the predicted distribution. We use variational calculus tools to arrive at the form of cross-entropy and prove its convexity through the second derivative with respect to the model parameters.

To complete the theoretical analysis, we define the characteristic partition function of an energy-based model as the weighted sum of exponentials of the energy of each configuration. We prove its normalization property and demonstrate how it relates the energy function to probabilities in the state space through the Boltzmann formula.

These theoretical developments translate into direct improvements in artificial intelligence and AI for businesses architectures, optimizing inference stability and calibration of probabilistic predictions in natural language processing tasks.

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