Related papers: On Committor Functions in Milestoning
We propose a cross-entropy minimization method for finding the reaction coordinate from a large number of collective variables in complex molecular systems. This method is an extension of the likelihood maximization approach describing the…
Conformance is defined as a measure of distance between the behaviors of two dynamical systems. The notion of conformance can accelerate system design when models of varying fidelities are available on which analysis and control design can…
Determinantal point processes (DPP) serve as a practicable modeling for many applications of repulsive point processes. A known approach for simulation was proposed in \cite{Hough(2006)}, which generate the desired distribution point wise…
In trajectory forecasting tasks for traffic, future output trajectories can be computed by advancing the ego vehicle's state with predicted actions according to a kinematics model. By unrolling predicted trajectories via time integration…
In this paper, we propose a new framework named Communication Optimal Transport (CommOT) for computing the rate distortion (RD) function. This work is motivated by observing the fact that the transition law and the relative entropy in…
Joint space trajectory optimization under end-effector task constraints leads to a challenging non-convex problem. Thus, a real-time adaptation of prior computed trajectories to perturbation in task constraints often becomes intractable.…
Reaction coordinates are widely used throughout chemical physics to model and understand complex chemical transformations. We introduce a definition of the natural reaction coordinate, suitable for condensed phase and biomolecular systems,…
Conformal predictors are an important class of algorithms that allow predictions to be made with a user-defined confidence level. They are able to do this by outputting prediction sets, rather than simple point predictions. The conformal…
Repeated local measurements of quantum many body systems can induce a phase transition in their entanglement structure. These measurement-induced phase transitions (MIPTs) have been studied for various types of dynamics, yet most cases…
In this thesis we study the momentum space approach to the solution of the CWI's of CFT's in higher dimensions. Our work's goal is to illustrate the essential steps needed to build tensor correlators starting from the scalar solutions, for…
Predicting when and where events will occur in cities, like taxi pick-ups, crimes, and vehicle collisions, is a challenging and important problem with many applications in fields such as urban planning, transportation optimization and…
Precise positioning and fast traversal times are crucial in achieving high productivity and scale in machining. This paper compares two optimization-based predictive control approaches that achieve high performance. In the first approach,…
Computer simulators are nowadays widely used to understand complex physical systems in many areas such as aerospace, renewable energy, climate modeling, and manufacturing. One fundamental issue in the study of computer simulators is known…
It has previously been shown that response transformations can be very effective in improving dimension reduction outcomes for a continuous response. The choice of transformation used can make a big difference in the visualization of the…
The critical point is a fixed point in finite-size scaling. To quantify the behaviour of such a fixed point, we define, at a given temperature and scaling exponent ratio, the width of scaled observables for different sizes. The minimum of…
Through coarse-graining, tensor network representations of a two-dimensional critical lattice model flow to a universal four-leg tensor, corresponding to a conformal field theory (CFT) fixed-point. We computed explicit elements of the…
We initiate an approach to constraining conformal field theory (CFT) data at finite temperature using methods inspired by the conformal bootstrap for vacuum correlation functions. We focus on thermal one- and two-point functions of local…
Reaction coordinates (RCs) are low-dimensional representations of complex dynamical systems that capture their long-term dynamics. In this work, we focus on the criteria of lumpability and decomposability, previously established for…
Monte Carlo (MC) and Quasi-Monte Carlo (QMC) methods are classical approaches for the numerical integration of functions $f$ over $[0,1]^d$. While QMC methods can achieve faster convergence rates than MC in moderate dimensions, their…
The thermal cis-trans isomerization around the C$_{13}$=C$_{14}$ double bond of retinal is a prototypical high-barrier reaction whose mechanism hinges on subtle out-of-plane bending motions. We apply Artificial Intelligence for Molecular…