4 papers
NMRGym: A Comprehensive Benchmark for Nuclear Magnetic Resonance Based Molecular Structure Elucidation
Zheng Fang, Chen Yang, Hai-tao Yu +5
Nuclear Magnetic Resonance (NMR) spectroscopy is the cornerstone of small-molecule structure elucidation. While deep learning has demonstrated significant potential in automating s…
There is No VAE: End-to-End Pixel-Space Generative Modeling via Self-Supervised Pre-training
Jiachen Lei, Keli Liu, Julius Berner +4
Pixel-space generative models are often more difficult to train and generally underperform compared to their latent-space counterparts, leaving a persistent performance and efficie…
Know-MRI: A Knowledge Mechanisms Revealer&Interpreter for Large Language Models
Jiaxiang Liu, Boxuan Xing, Chenhao Yuan +8
As large language models (LLMs) continue to advance, there is a growing urgency to enhance the interpretability of their internal knowledge mechanisms. Consequently, many interpret…
MM-Point: Multi-View Information-Enhanced Multi-Modal Self-Supervised 3D Point Cloud Understanding
Hai-Tao Yu, Mofei Song
In perception, multiple sensory information is integrated to map visual information from 2D views onto 3D objects, which is beneficial for understanding in 3D environments. But in…