(Step 6): NEB energy decoder. The final NEB energy sequence, {∆H pi }, is predicted by one or more decoders, here chosen as a single-input/single-output multi-layer perceptron (MLP) as shown in Figure . The challenge lies in assigning a frame of reference to the image nodes and their relation to the energy sequence, i.e., visualized in "Path decoration" in Figure . Figure shows the first architecture variation we tested, where the NEB energies are predicted by the same decoder block. However, this formalism does not guarantee the satisfaction of Equation ( ), since the self-attention mechanism of the transformer encoder enforces that v