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 30

Scaling Textual Gradients via Sampling-Based Momentum

arXiv:2506. 00400v4 Announce Type: replace-cross Abstract: LLM-based prompt optimization, which uses LLM-provided ``textual gradients'' (feedback) to refine prompts, has emerged as an effective method for automatic prompt engineering.

By Zixin Ding, Junyuan Hong, Zhan Shi, Jiachen T. Wang, Zinan Lin, Li Yin, Meng Liu, Zhangyang Wang, Yuxin Chen
arXiv AI
Jun 30

Hierarchical Experimentalist Agents

arXiv:2606. 29315v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly used to take actions in the real world and support human decision-making, yet most agents rely on parametric knowledge, fixed post-training data, retrieval, or search.

By Abhranil Chandra, Sankaran Vaidyanathan, Utsav Dhanuka, Varun Gandhi, Scott Niekum
arXiv Machine Learning
Jun 30

Shoot from the HIP: Hessian Interatomic Potentials without derivatives

arXiv:2509. 21624v3 Announce Type: replace Abstract: Fundamental tasks in computational chemistry, from transition state search to vibrational analysis, rely on molecular Hessians, which are the second derivatives of the potential energy.

By Andreas Burger, Luca Thiede, Nikolaj R{\o}nne, Varinia Bernales, Nandita Vijaykumar, Tejs Vegge, Arghya Bhowmik, Alan Aspuru-Guzik
arXiv Machine Learning
Jun 30

BrainJanus: A Unified Model for Understanding and Generation across Brain, Vision, and Language

arXiv:2606. 30319v1 Announce Type: cross Abstract: Modeling the bidirectional correspondence between external sensory stimuli and internal neural activity has emerged as a critical frontier in neuroscience.

By Haitao Wu, Qirui Zhang, Zhouheng Yao, Shangquan Sun, Qihao Zheng, Mianxin Liu, Chi Zhang, Wanli Ouyang, Chunfeng Song, Changqing Zhang, Jiamin Wu
arXiv Machine Learning
Jun 30

Bridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular Simulations

arXiv:2606. 30551v1 Announce Type: cross Abstract: Calculation of binding energies for protein-ligand molecular systems requires accurate treatment of the electronic structure, a quantum chemistry problem that scales exponentially on classical hardware, while current quantum hardware remains too noisy for the required circuit depths.

By Anurag K. S. V., Ashish Kumar Patra, Manas Mukherjee, Ruchika Bhat, Sai Shankar P., Rahul Maitra, Jaiganesh G
arXiv AI
Jun 30

Beyond Scaling Law: A Data-Efficient Distillation Framework for Reasoning

arXiv:2508. 09883v2 Announce Type: replace-cross Abstract: Large language models (LLMs) demonstrate remarkable reasoning capabilities in tasks such as algorithmic coding and mathematical problem-solving.

By Xiaojun Wu, Xiaoguang Jiang, Huiyang Li, Jucai Zhai, Dengfeng Liu, Qiaobo Hao, Huang Liu, Zhiguo Yang, Ji Xie, Ninglun Gu, Jin Yang, Kailai Zhang, Yelun Bao, Jun Wang
arXiv AI
Jun 30

Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent

arXiv:2606. 29776v1 Announce Type: cross Abstract: Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise.

By Zheng Fang, Chen Yang, Yusen Tan, Yunpeng Zhao, Fanjie Xu, Hongxin Xiang, Hanyu Sun, Hanyu Gao, Xiaojian Wang, Wenjie Du, Yuqiang Li, Jun Xia
arXiv Machine Learning
Jun 30

Nonlinear mixture model motivated subspace clustering

arXiv:2606. 29261v1 Announce Type: new Abstract: We derive the linear union-of-subspaces (UoS) model for subspace clustering (SC) from the nonlinear mixture model (NMM) used in blind source separation (BSS) to represent a D-dimensional observation vector as an unknown multivariate nonlinear mapping of C latent variables.

By Ivica Kopriva
arXiv AI
Jun 30

FADE: Mitigating Hallucinations by Reducing Language-Prior Dominance in Large Vision-Language Models

arXiv:2606. 29431v1 Announce Type: new Abstract: Despite the impressive capabilities of Large Vision-Language Models (LVLMs), they remain susceptible to hallucination, generating content inconsistent with the input image.

By Yichen Guo, Kai Tang, Fenglai Lin, Yiding Sun, Dongshuo Zhang, Wenya Wang, Lin William Cong, Shanghang Zhang