12 citations · 20 across the 5 of their papers we have counts for
5 papers
Spin-Adapted Neural Network Wavefunctions in Real Space
Ruichen Li, Yuzhi Liu, Du Jiang +7
Spin plays a fundamental role in understanding electronic structure, yet many real-space wavefunction methods fail to adequately consider it. We introduce the Spin-Adapted Antisymm…
Neural Scaling Laws Surpass Chemical Accuracy for the Many-Electron Schrödinger Equation
Du Jiang, Xuelan Wen, Yixiao Chen +8
We demonstrate, for the first time, that neural scaling laws can deliver near-exact solutions to the many-electron Schrödinger equation across a broad range of realistic molecules.…
Forward Laplacian: A New Computational Framework for Neural Network-based Variational Monte Carlo
Ruichen Li, Haotian Ye, Du Jiang +8
Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of exis…
Rethinking Lipschitz Neural Networks and Certified Robustness: A Boolean Function Perspective
Bohang Zhang, Du Jiang, Di He +1
Designing neural networks with bounded Lipschitz constant is a promising way to obtain certifiably robust classifiers against adversarial examples. However, the relevant progress f…
Boosting the Certified Robustness of L-infinity Distance Nets
Bohang Zhang, Du Jiang, Di He +1
Recently, Zhang et al. (2021) developed a new neural network architecture based on -distance functions, which naturally possesses certified robustness by…