activity
20202026
most citedHeterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties

14 citations · 21 across the 5 of their papers we have counts for

collaborators

6 papers

cs.LG2026

Verifier-Grounded Agentic RL for Provably Correct Code

George Ma, Yuhao Zhang, Bing He +5

Reinforcement learning for code usually rewards passing tests, which a model can do while remaining wrong on the inputs the tests do not cover. A program verifier instead decides w…

cs.LG2026

SWE-Proof: Can Language Models Resolve Real-World Issues with Machine-Checked Proofs?

George Ma, Benjamin Mikek, Haoyu Li +9

Ensuring the correctness of LLM-generated code is a core challenge for modern software engineering. Benchmarks for agentic code generation check correctness with held-out test suit…

cs.LG2025★ 2 cited

Open Materials Generation with Stochastic Interpolants

Philipp Hoellmer, Thomas Egg, Maya M. Martirossyan +11

The discovery of new materials is essential for enabling technological advancements. Computational approaches for predicting novel materials must effectively learn the manifold of…

cs.CL2024

Fine-Tuning Language Models on Multiple Datasets for Citation Intention Classification

Zeren Shui, Petros Karypis, Daniel S. Karls +4

Citation intention Classification (CIC) tools classify citations by their intention (e.g., background, motivation) and assist readers in evaluating the contribution of scientific l…

cs.LG2022★ 5 cited

Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties

Zeren Shui, Daniel S. Karls, Mingjian Wen +3

For decades, atomistic modeling has played a crucial role in predicting the behavior of materials in numerous fields ranging from nanotechnology to drug discovery. The most accurat…

cs.LG2020★ 14 cited

Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties

Zeren Shui, George Karypis

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecule…