cs.LG 2306.07473

3D molecule generation by denoising voxel grids

VoxMol employs a score-based generative framework using voxel grids, enabling fast and realistic 3D molecule synthesis for drug discovery.

Pedro O. Pinheiro, Joshua Rackers, Joseph Kleinhenz et al.

2023-06-13 52 citations 18
cs.LG 2306.03007

Nonparametric Iterative Machine Teaching

Proposes nonparametric iterative machine teaching (NIMT) via functional optimization; introduces random and greedy algorithms with theoretical ITD bounds.

Chen Zhang, Xiaofeng Cao, Weiyang Liu et al.

2023-06-06 40
cs.LG 2305.17560

Scalable Transformer for PDE Surrogate Modeling

Proposed FactFormer uses axial factorized kernel integral in Transformer for scalable high-dimensional PDE surrogate modeling.

Zijie Li, Dule Shu, Amir Barati Farimani

2023-05-28 33
cs.LG 2305.17333

Fine-Tuning Language Models with Just Forward Passes

MeZO, a memory-efficient zeroth-order optimizer, enables fine-tuning of 30B models with 12× less memory, matching performance of backpropagation.

Sadhika Malladi, Tianyu Gao, Eshaan Nichani et al.

2023-05-27 461 citations 31
cs.LG 2305.17126

Large Language Models as Tool Makers

LATM framework uses GPT-4 to generate reusable Python tools, reducing inference costs significantly.

Tianle Cai, Xuezhi Wang, Tengyu Ma et al.

2023-05-27 53