Solving kk-SUM using few linear queries

The $k$-SUM problem is given $n$ input real numbers to determine whether any $k$ of them sum to zero. The problem is of tremendous importance in the emerging field of complexity theory within $P$, and it is in particular open whether it admits an algorithm of complexity $O(n^c)$ with $c<\lceil \frac{k}{2} \rceil$. Inspired by an algorithm due to Meiser (1993), we show that there exist linear decision trees and algebraic computation trees of depth $O(n^3\log^3 n)$ solving $k$-SUM. Furthermore, we show that there exists a randomized algorithm that runs in $\tilde{O}(n^{\lceil \frac{k}{2} \rceil+8})$ time, and performs $O(n^3\log^3 n)$ linear queries on the input. Thus, we show that it is possible to have an algorithm with a runtime almost identical (up to the $+8$) to the best known algorithm but for the first time also with the number of queries on the input a polynomial that is independent of $k$. The $O(n^3\log^3 n)$ bound on the number of linear queries is also a tighter bound than any known algorithm solving $k$-SUM, even allowing unlimited total time outside of the queries. By simultaneously achieving few queries to the input without significantly sacrificing runtime vis-\`{a}-vis known algorithms, we deepen the understanding of this canonical problem which is a cornerstone of complexity-within-$P$. We also consider a range of tradeoffs between the number of terms involved in the queries and the depth of the decision tree. In particular, we prove that there exist $o(n)$-linear decision trees of depth $o(n^4)$

Searching for Globally Optimal Functional Forms for Inter-Atomic Potentials Using Parallel Tempering and Genetic Programming

We develop a Genetic Programming-based methodology that enables discovery of novel functional forms for classical inter-atomic force-fields, used in molecular dynamics simulations. Unlike previous efforts in the field, that fit only the parameters to the fixed functional forms, we instead use a novel algorithm to search the space of many possible functional forms. While a follow-on practical procedure will use experimental and {\it ab inito} data to find an optimal functional form for a forcefield, we first validate the approach using a manufactured solution. This validation has the advantage of a well-defined metric of success. We manufactured a training set of atomic coordinate data with an associated set of global energies using the well-known Lennard-Jones inter-atomic potential. We performed an automatic functional form fitting procedure starting with a population of random functions, using a genetic programming functional formulation, and a parallel tempering Metropolis-based optimization algorithm. Our massively-parallel method independently discovered the Lennard-Jones function after searching for several hours on 100 processors and covering a miniscule portion of the configuration space. We find that the method is suitable for unsupervised discovery of functional forms for inter-atomic potentials/force-fields. We also find that our parallel tempering Metropolis-based approach significantly improves the optimization convergence time, and takes good advantage of the parallel cluster architecture

Progress on Polynomial Identity Testing - II

We survey the area of algebraic complexity theory; with the focus being on the problem of polynomial identity testing (PIT). We discuss the key ideas that have gone into the results of the last few years.Comment: 17 pages, 1 figure, surve