Related papers: On Committor Functions in Milestoning
Rare events in molecular dynamics are often related to noise-induced transitions between different macroscopic states (e.g., in protein folding). A common feature of these rare transitions is that they happen on timescales that are on…
A determinantal point process (DPP) is an ensemble of random nonnegative-integer-valued Radon measures, whose correlation functions are all given by determinants specified by an integral kernel called the correlation kernel. First we show…
The study of phenomena such as protein folding and conformational changes in molecules is a central theme in chemical physics. Molecular dynamics (MD) simulation is the primary tool for the study of transition processes in biomolecules, but…
We have recently developed the \textit{constraint} coordinate-momentum \textit{phase space} (CPS) formulation for finite-state quantum systems. It has been implemented for the electronic subsystem in nonadiabatic transition dynamics to…
Model predictive control (MPC) is a promising technique for motion cueing in driving simulators, but its high computation time limits widespread real-time application. This paper proposes a hybrid algorithm that combines filter-based and…
We consider the application of Kramers theory to the microscopic calculation of rates of conformational transitions of macromolecules. The main difficulty in such an approach is to locate the transition state in a huge configuration space.…
The role of symmetry in Boolean functions $f:\{0,1\}^n \to \{0,1\}$ has been extensively studied in complexity theory. For example, symmetric functions, that is, functions that are invariant under the action of $S_n$, is an important class…
Imitation learning techniques have been used as a way to transfer skills to robots. Among them, dynamic movement primitives (DMPs) have been widely exploited as an effective and an efficient technique to learn and reproduce complex discrete…
Bisimulation metric is a robust behavioural semantics for probabilistic processes. Given any SOS specification of probabilistic processes, we provide a method to compute for each operator of the language its respective metric…
In many mobile robotics scenarios, such as drone racing, the goal is to generate a trajectory that passes through multiple waypoints in minimal time. This problem is referred to as time-optimal planning. State-of-the-art approaches either…
For the multi-mode Dicke model in a transport setting that exhibits collective boson transmissions, we construct the equation of motion for the cumulant generating function. Approximating the exact system of equations at the level of…
Fractal and fractal-rate stochastic point processes (FSPPs and FRSPPs) provide useful models for describing a broad range of diverse phenomena, including electron transport in amorphous semiconductors, computer-network traffic, and…
We present a method to approximate partition functions of quantum systems using mixed-state quantum computation. For positive semi-definite Hamiltonians, our method has expected running-time that is almost linear in $(M/(\epsilon_{\rm…
A quantum trajectory describes the evolution of a quantum system undergoing indirect measurement. In the discrete-time setting, the state of the system is updated by applying Kraus operators according to the measurement results. From an…
Flexible-joint manipulators are frequently used for increased safety during human-robot collaboration and shared workspace tasks. However, joint flexibility significantly reduces the accuracy of motion, especially at high velocities and…
Characteristic functions (CFs) provide a very efficient method for evaluating the probability density functions of stochastic thermodynamic quantities and investigating their statistical features in quantum master equations (QMEs). A…
Point forecasts can be interpreted as functionals (i.e., point summaries) of predictive distributions. We consider the situation where forecasters' directives are hidden and develop methodology for the identification of the unknown…
In many analyses in Higgs, top and electroweak physics, the kinematic reconstruction of the final state is improved by constrained fits. This is a particularly powerful tool at $e^{+}e^{-}$ colliders, where the initial state four-momentum…
We show how conformal invariance predicts the functional form of two-point correlators in one-dimensional periodic quantum systems. Numerical evidence for this functional form in a wide class of models --- including long-ranged ones --- is…
Effective dynamics using conditional expectation was proposed in [F. Legoll and T. Leli\`evre, Nonlinearity, 2010] to approximate the essential dynamics of high-dimensional diffusion processes along a given reaction coordinate. The…