Related papers: On Committor Functions in Milestoning
The dynamics of phase transitions (PT) in quantum field theories at finite temperature is most accurately described within the framework of dimensional reduction. In this framework, thermodynamic quantities are computed within the…
We consider the probability by which quantum phase measurements of a given precision can be done successfully. The least upper bound of this probability is derived and the associated optimal state vectors are determined. The probability…
This study address the computational determination of catalytic reaction rates by moving beyond traditional Transition State Theory (TST), addressing its limitations in complex systems. The Hill relation framework, integrated with Adaptive…
We consider the functional regression model with multivariate response and functional predictors. Compared to fitting each individual response variable separately, taking advantage of the correlation between the response variables can…
Measurement-induced phase transitions (MIPTs) are known to be described by non-unitary conformal field theories (CFTs) whose precise nature remains unknown. Most physical quantities of interest, such as the entanglement features of quantum…
In this work, building up on [1] we present momentum space Ward identities related to broken higher spin symmetry as an alternate approach to computing correlators of spinning operators in interacting theories such as the quasi-fermionic…
Transition State Theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when…
We study complex CFTs describing fixed points of the two-dimensional $Q$-state Potts model with $Q>4$. Their existence is closely related to the weak first-order phase transition and walking RG behavior present in the real Potts model at…
A molecular understanding of how protein function is related to protein structure will require an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy…
Before delegating a task to an autonomous system, a human operator may want a guarantee about the behavior of the system. This paper extends previous work on conformal prediction for functional data and conformalized quantile regression to…
Sampling molecular conformations from the Boltzmann distribution is essential for computational chemistry, but iterative diffusion methods are prohibitively slow. Drifting Models offer one-step generation, yet their equilibrium matches the…
The integration of the exponential of the square of the moment map of the circle action is studied by a direct stationary phase computation and by applying the Duistermaat-Heckman formula. Both methods yield two distinct formulas expressing…
Recently, it has been recognized that phase transitions play an important role in the probabilistic analysis of combinatorial optimization problems. However, there are in fact many other relations that lead to close ties between computer…
Selection of descent direction at a point plays an important role in numerical optimization for minimizing a real valued function. In this article, a descent sequence is generated for the functions with bounded parameters to obtain a…
We predict the phase separations of two-dimensional Fermi gases with repulsive contact-type interactions between two spin components. Using density-potential functional theory with systematic semiclassical approximations, we address the…
The modern conformal bootstrap program often employs the method of linear functionals to derive the numerical or analytical bounds on the CFT data. These functionals must have a crucial "swapping" property, allowing to swap infinite…
We propose an exact formula for three-point functions on the sphere in critical loop models with primary fields $V_{(r,s)}$ characterized by $2r$ legs and a parameter \(s\) that describes diagonal fields for $r=0$ and the momentum of legs…
The paper present a novel approach for the solution of the Multi-Robot Communication-Aware Trajectory Planning, which builds on a general optimisation framework where the changes in robots positions are used as decision variable, and linear…
Classical chemical kinetics use rate-equation models to describe how a reaction proceeds in time. Such models are sufficient for describing state transitions in a reaction where coherences between different states do not arise, or in other…
In this paper, we give a geometric interpretation of optimal functionals in the context of intersection of symmetry planes and cyclic polytopes. For 1D CFTs, we demonstrate that at given derivative order, the functional is given by a…