Approximate Inference and Protein-Folding

Side-chain prediction is an important subtask in the protein-folding problem. We show that finding a minimal energy side-chain configuration is equivalent to performing inference in an undirected graphical model. The graphical model is relatively sparse yet has many cycles. We used this equivalence to assess the performance of approximate inference algorithms in a real-world setting. Specifically we compared belief propagation (BP), generalized BP (GBP) and naive mean field (MF).