energy based model

**Energy-Based Model (EBM)** is a **generative model that assigns a scalar energy to each configuration of variables** — learning a function $E_\theta(x)$ such that low-energy states correspond to real data and high-energy states to unlikely configurations. **Core Concept** - Probability: $p_\theta(x) = \frac{\exp(-E_\theta(x))}{Z(\theta)}$ - $Z(\theta) = \int \exp(-E_\theta(x)) dx$ — partition function (intractable in general). - Training: Push $E(x_{real})$ low, push $E(x_{fake})$ high. - No explicit generative process required — just a scalar score function. **Training Challenges** - Computing $Z(\theta)$: Intractable for continuous high-dimensional data. - Solution: **Contrastive Divergence (CD)**: Replace exact gradient with approximate using MCMC samples. - CD-k: Run MCMC for k steps from data points → approximate negative phase. **Restricted Boltzmann Machine (RBM)** - Bipartite graph: Visible units $v$ and hidden units $h$, no intra-layer connections. - Energy: $E(v,h) = -v^T W h - b^T v - c^T h$ - Exact conditional distributions: $p(h|v)$ and $p(v|h)$ are factorial — efficient Gibbs sampling. - Deep Belief Networks: Stack of RBMs — early deep learning (Hinton, 2006). **Modern EBMs** - **JEM (Joint Energy-Based Model)**: EBM for both classification and generation. - **Score-based models**: $\nabla_x \log p(x)$ (score function) — equivalent to EBM. - **Diffusion models**: Can be viewed as hierarchical EBMs. **MCMC Sampling** - Stochastic Gradient Langevin Dynamics (SGLD): Sample from EBM by gradient descent + noise. - $x_{t+1} = x_t - \alpha \nabla_x E_\theta(x_t) + \epsilon$, $\epsilon \sim N(0,I)$. **Applications** - Anomaly detection: Outliers have high energy. - Data-efficient learning: EBMs learn compact energy landscape. - Scientific applications: Molecule energy functions (MMFF, OpenMM). Energy-based models are **a unifying framework connecting Boltzmann machines, diffusion models, and score-based models** — their elegant probabilistic formulation makes them particularly powerful for physics-inspired applications and anomaly detection where likelihood estimation matters.

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