Mirrored Langevin Dynamics
نویسندگان
چکیده
We generalize the Langevin Dynamics through the mirror descent framework for first-order sampling. The näıve approach of incorporating Brownian motion into the mirror descent dynamics, which we refer to as Symmetric Mirrored Langevin Dynamics (S-MLD), is shown to connected to the theory of Weighted Hessian Manifolds. The S-MLD, unfortunately, contains the hard instance of Cox–Ingersoll–Ross processes, whose discrete-time approximation exhibits slow convergence both theoretically and empirically. We then propose a new dynamics, which we refer to as the Asymmetric Mirrored Langevin Dynamics (A-MLD), that avoids the hurdles of S-MLD. In particular, we prove that discretized A-MLD implies the existence of a first-order sampling algorithm that sharpens the state-of-the-art Õ(ǫd) rate to Õ(ǫd), when the target distribution is strongly log-concave with compact support. For sampling on a simplex, A-MLD can transform certain non-log-concave sampling problems into log-concave ones. As a concrete example, we derive the first non-asymptotic Õ(ǫd) rate for first-order sampling of Dirichlet posteriors.
منابع مشابه
Gyration Radius and Energy Study at Different Temperatures for Acetylcholine Receptor Protein in Gas Phase by Monte Carlo, Molecular and Langevin Dynamics Simulations
The determination of gyration radius is a strong research for configuration of a Macromolecule. Italso reflects molecular compactness shape. In this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. We studiedthe changes of these factors as a function of temperature for Acetylcholine receptor protein in gasphase with n...
متن کاملEnergy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations
Potassium Channels allow potassium flux and are essential for the generation of electric current acrossexcitable membranes. Potassium Channels are also the targets of various intracellular controlmechanisms; such that the suboptimal regulation of channel function might be related to pathologicalconditions. Realistic studies of ion current in biologic channels present a major challenge for compu...
متن کاملInvestigation of Monte Carlo, Molecular Dynamic and Langevin dynamic simulation methods for Albumin- Methanol system and Albumin-Water system
Serum Albumin is the most aboundant protein in blood plasma. Its two major roles aremaintaining osmotic pressure and depositing and transporting compounds. In this paper,Albumin-methanol solution simulation is carried out by three techniques including MonteCarlo (MC), Molecular Dynamic (MD) and Langevin Dynamic (LD) simulations. Byinvestigating energy changes by time and temperature (between 27...
متن کاملThe Effects of Different SDE Calculus on Dynamics of Nano-Aerosols Motion in Two Phase Flow Systems
Langevin equation for a nano-particle suspended in a laminar fluid flow was analytically studied. The Brownian motion generated from molecular bombardment was taken as a Wiener stochastic process and approximated by a Gaussian white noise. Euler-Maruyama method was used to solve the Langevin equation numerically. The accuracy of Brownian simulation was checked by performing a series of simulati...
متن کاملMolecular Modeling Studies on Vinblastine Binding Site of Tubulin for Antimitotic agents
Medicinal chemistry depends on many other disciplines ranging from organic chemistry andpharmacology to computational chemistry. Typically medicinal chemists use the moststraightforward ways to prepare compounds. The validation of any design project comes from thebiological testing.Studies of the binding site of vinblastine by a single cross—linking experiment identified it asbeing between resi...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- CoRR
دوره abs/1802.10174 شماره
صفحات -
تاریخ انتشار 2018