Benchmarks and evaluation

Leaderboards, eval harnesses and ablations — the contested business of deciding which model is actually better.

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arXiv AI
Jun 2

From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide Machine Learning Interatomic Potential Architectures

arXiv:2602. 04861v2 Announce Type: replace-cross Abstract: Machine Learning Interatomic Potentials (MLIPs) sometimes fail to reproduce the physical smoothness of the quantum potential energy surface (PES), leading to erroneous behavior in downstream simulations that standard energy and force regression evaluations can miss.

By Ryan Liu, Eric Qu, Tobias Kreiman, Samuel M. Blau, Aditi S. Krishnapriyan
arXiv AI
Jun 2

Rethinking Scientific Modeling: Toward Physically Consistent and Simulation-Executable Programmatic Generation

arXiv:2602. 07083v2 Announce Type: replace-cross Abstract: Structural modeling is a fundamental component of computational engineering science, in which even minor physical inconsistencies or specification violations may invalidate downstream simulations.

By Yongqing Jiang, Jianze Wang, Zhiqi Shen, Zhenghong Lin, Jiayuan Wang, Yijian Yang, Kaoshan Dai, Haoran Luo
arXiv Machine Learning
Jun 2

ATLAS: Agentic Test-time Learning-to-Allocate Scaling

arXiv:2606. 01667v1 Announce Type: new Abstract: Test-time scaling has become a major way to improve large language model reasoning, but its orchestration has remained designer-engineered: a fixed sample budget, a fixed refinement loop, a fixed scoring rule, or a fixed search policy decides how compute is spent, leaving the model in charge of solving but not of orchestration.

By Peijia Qin, Qi Cao, Pengtao Xie
arXiv Machine Learning
Jun 2

G2LoRA: Gradient Orthogonal Low-Rank Adaptation Framework for Graph Continual Learning on Text-Attributed Graphs

arXiv:2606. 01873v1 Announce Type: new Abstract: LLM-as-Aligner has emerged as a prevalent pre-training paradigm for Text-Attributed Graphs(TAGS), aligning graph and text modalities into a shared embedding space via CLIP-style contrastive learning.

By Yuhan Wang, Yibo Ding, Yutong Ye, Mufan Zhao, Wenbo Zhang, Ruijie Wang, Jianxin Li