5 papers
Driving Reaction Trajectories via Latent Flow Matching
Yili Shen, Xiangliang Zhang
Recent advances in reaction prediction have achieved near-saturated accuracy on standard benchmarks (e.g., USPTO), yet most state-of-the-art models formulate the task as a one-shot…
Autonomous Data Agents: A New Opportunity for Smart Data
Yanjie Fu, Dongjie Wang, Wangyang Ying +4
As data continues to grow in scale and complexity, preparing, transforming, and analyzing it remains labor-intensive, repetitive, and difficult to scale. Since data contains knowle…
Quasiparticle Interference Kernel Extraction with Variational Autoencoders via Latent Alignment
Yingshuai Ji, Haomin Zhuang, Matthew Toole +3
Quasiparticle interference (QPI) imaging is a powerful tool for probing electronic structures in quantum materials, but extracting the single-scatterer QPI pattern (i.e., the kerne…
BenchmarkCards: Standardized Documentation for Large Language Model Benchmarks
Anna Sokol, Elizabeth Daly, Michael Hind +4
Large language models (LLMs) are powerful tools capable of handling diverse tasks. Comparing and selecting appropriate LLMs for specific tasks requires systematic evaluation method…
TraffiDent: A Dataset for Understanding the Interplay Between Traffic Dynamics and Incidents
Xiaochuan Gou, Ziyue Li, Tian Lan +6
Long-separated research has been conducted on two highly correlated tracks: traffic and incidents. Traffic track witnesses complicating deep learning models, e.g., to push the pred…