Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

“…We show that batched formation of the XC matrix from the density matrix yields the best performance for large (>O(103) basis functions), sparse systems such as glycine chains and water clusters. …”

Types of training algorithms. by Caixia Yan (6647072)

DMTD algorithm. by Yunhu Huang (21402795)

“…On the basis of EITO_E, we propose EITO_P algorithm using the PPO algorithm to optimize multiple objectives by designing reinforcement learning strategies, rewards, and value functions. …”

Matlab code of a function used in S2 File. by Hiroko Kato Solvang (5718250)

Acc epoch loss curve of IPCA algorithm. by Lu Lin (201289)

Variations of loss functions versus epoch number. by Xueliang Guo (4797057)

Benchmark function information. by Hao Yang (328526)

Speed limits and gradients from RJ to WYJ. by Yunhu Huang (21402795)

“…On the basis of EITO_E, we propose EITO_P algorithm using the PPO algorithm to optimize multiple objectives by designing reinforcement learning strategies, rewards, and value functions. …”

Speed limits and gradient from SJZ to XHM. by Yunhu Huang (21402795)

“…On the basis of EITO_E, we propose EITO_P algorithm using the PPO algorithm to optimize multiple objectives by designing reinforcement learning strategies, rewards, and value functions. …”

Spatial patterns of the CAPs estimated from both splits are reproducible and strongly correlated with at least one of the basis CAPs. by Kangjoo Lee (11648345)

Convergence curves of various algorithms under test functions. by Jiayuan Wang (3765376)

Convergence curves of various algorithms under test functions. by Jiayuan Wang (3765376)

The convergence curve of each optimization algorithm under the test function. by Hao Yang (328526)

Reflection matrix microscopy data and CLASS algorithms by Sungsam Kang (18931031)

“…</li><li>RM_fft.m: Performs matrix Fourier transform from position basis to spatial frequency basis.</li><li>RM_ifft.m: Performs inverse Fourier transform from spatial frequency basis to position basis.…”

Predictions from a Universal Value Function Approximator (UVFA) algorithm. by Sam Hall-McMaster (10343795)

Flowchart of proposed fitness function algorithm. by Ferhat Yuna (21519851)

“…The mathematical model was transformed into a fitness function and a solution was provided with the Tabu Search Algorithm and Simulated Annealing. …”

Parameters of the genetic algorithm. by Jian Ma (170138)

A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases by Maru Song (22593561)

Subjects:

A Scalable Route to First-Order Response Properties with Correlated Sampling Phaseless Auxiliary-Field Quantum Monte Carlo by Leon Otis (20898157)

Subjects:

Results from different ML algorithms. by Caroline L. Alves (14271413)