Amarjit Budhiraja

Erhan Bayraktar, Amarjit Budhiraja, Asaf Cohen

We use the Markov chain approximation method to construct approximations for the solution of the mean field game (MFG) with reflecting barriers studied in Bayraktar, Budhiraja, and Cohen (2017). The MFG is formulated in terms of a controlled reflected diffusion with a cost function that depends on the reflection terms in addition to the standard variables: state, control, and the mean field term. This MFG arises from the asymptotic analysis of an $N$-player game for single server queues with strategic servers. By showing that our scheme is an almost contraction, we establish the convergence of this numerical scheme over a small time interval.

Swetha Ganesh, Rohan Deb, Gugan Thoppe et al.

Stochastic Heavy Ball (SHB) and Nesterov's Accelerated Stochastic Gradient (ASG) are popular momentum methods in stochastic optimization. While benefits of such acceleration ideas in deterministic settings are well understood, their advantages in stochastic optimization is still unclear. In fact, in some specific instances, it is known that momentum does not help in the sample complexity sense. Our work shows that a similar outcome actually holds for the whole of quadratic optimization. Specifically, we obtain a lower bound on the sample complexity of SHB and ASG for this family and show that the same bound can be achieved by the vanilla SGD. We note that there exist results claiming the superiority of momentum based methods in quadratic optimization, but these are based on one-sided or flawed analyses.

Daniel de Marchi, Amarjit Budhiraja

One of the key steps in building deep learning systems for drug classification and generation is the choice of featurization for the molecules. Previous featurization methods have included molecular images, binary strings, graphs, and SMILES strings. This paper proposes the creation of molecular images captioned with binary vectors that encode information not contained in or easily understood from a molecular image alone. Specifically, we use Morgan fingerprints, which encode higher level structural information, and MACCS keys, which encode yes or no questions about a molecules properties and structure. We tested our method on the HIV dataset published by the Pande lab, which consists of 41,127 molecules labeled by if they inhibit the HIV virus. Our final model achieved a state of the art AUC ROC on the HIV dataset, outperforming all other methods. Moreover, the model converged significantly faster than most other methods, requiring dramatically less computational power than unaugmented images.

Sergio A. Almada Monter, Amarjit Budhiraja, Jan Hannig

In this work we propose and numerically analyze an algorithm for detection of a contaminant source using a dynamic sensor network. The algorithm is motivated using a global probabilistic optimization problem and is based on the analysis of the hydrodynamic limit of a discrete time evolution equation on the lattice under a suitable scaling of time and space. Numerical results illustrating the effectiveness of the algorithm are presented.