where w i denotes thermodynamic weights where U λ,θ represents the potential energy calculated with the parameters to be updated; U λ, θ represents the potential energy calculated with the reference parameters that generate the trajectory. More details of DiffTre can be found in the reference. As depicted in Equation , the loss function comprises a summation of various loss functions associated with the target observables. Consequently, the utilization of a multiobjective optimization algorithm becomes imperative. In numerical optimization, a natural concept to combine losses from multiple objectives is to perform a weighted linear summation of the losses, as shown below: