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Thomas Watts

Publications and source records attributed to Thomas Watts.

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Preservation of Positive-Definiteness by Bernstein Operators on the Circle

We prove that, for every $n\ge1$, the degree-$n$ Bernstein operator on $[0,\pi]$ preserves positive-definiteness on the circle $S^1$. Equivalently, if a continuous function on $[0,\pi]$ defines a positive-definite isotropic kernel on $S^1$, then its Bernstein polynomial approximation of any fixed degree does as well. The proof reduces the problem to the nonnegativity of the cosine coefficients of the Bernstein images $Q_{n,m}=B_n[\cos(mx)]$, which we prove using an explicit coefficient formula and a two-regime positivity argument. We also discuss the higher-dimensional sphere analogue and show that the naive affine Bernstein operator fails to preserve the positive-definite cone already on $S^2$.

math.CA

QB Ground State Energy Estimation Benchmark

Ground State Energy Estimation (GSEE) is a central problem in quantum chemistry and condensed matter physics, demanding efficient algorithms to solve complex electronic structure calculations. This work introduces a structured benchmarking framework for evaluating the performance of both classical and quantum solvers on diverse GSEE problem instances. We assess three prominent methods -- Semistochastic Heat-Bath Configuration Interaction (SHCI), Density Matrix Renormalization Group (DMRG), and Double-Factorized Quantum Phase Estimation (DF QPE) -- ighlighting their respective strengths and limitations. Our results show that fully optimized SHCI achieves near-universal solvability on the benchmark set, DMRG excels for low-entanglement systems, and DF QPE is currently constrained by hardware and algorithmic limitations. However, we observe that many benchmark Hamiltonians are drawn from datasets tailored to SHCI and related approaches, introducing a bias that favors classical solvers. To mitigate this, we propose expanding the benchmark suite to include more challenging, strongly correlated systems to enable a more balanced and forward-looking evaluation of solver capabilities. As quantum hardware and algorithms improve, this benchmarking framework will serve as a vital tool for tracking progress and identifying domains where quantum methods may surpass classical techniques. The QB-GSEE benchmark repository is openly available at https://github.com/isi-usc-edu/qb-gsee-benchmark [1]. By maintaining a scalable and open resource, we aim to accelerate innovation in computational quantum chemistry and quantum computing.

quant-ph