arXiv Machine Learning

Finding Multiple Interpretations in Datasets

arXiv:2606. 12277v1 Announce Type: new Abstract: In this paper, we propose an approach to finding sets of similar-performing models (in terms of loss/accuracy measurements) with highly different context-aware characteristics.

Hugging Face Trending Papers
Jun 10

Finding Multiple Interpretations in Datasets

In this paper, we propose an approach to finding sets of similar-performing models (in terms of loss/accuracy measurements) with highly different context-aware characteristics. Through experiments on the METABRIC dataset, we show that the proposed method finds multiple models with highly different gene expressions than those found by the control methodology without performance penalties.

arXiv Machine Learning
Aug 5

In-Context Molecular Property Prediction with LLMs: A Blinding Study on Memorization and Knowledge Conflicts

arXiv:2603. 25857v3 Announce Type: replace Abstract: The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction.

By Matthias Busch, Marius Tacke, Sviatlana V. Lamaka, Mikhail L. Zheludkevich, Christian J. Cyron, Christian Feiler, Roland C. Aydin
arXiv AI
Jun 4

Learning to Evaluate: Cost-Effective Model Evaluation on Unlabeled Data with Meta-Learning

arXiv:2605. 23595v2 Announce Type: replace-cross Abstract: The rapid advancement of machine learning has led to an unprecedented expansion of model ecosystems, making it increasingly difficult to assess the reliability of newly released models on unseen and unlabeled data.

By Trinh Pham, Viet Huynh, Hongzhi Yin, Quoc Viet Hung Nguyen, Thanh Tam Nguyen
arXiv Machine Learning
Jun 24

The Degeneracy Distillery

arXiv:2606. 23838v1 Announce Type: new Abstract: When two or more parameters or labels produce similar data, they are degenerate, or hard to distinguish.

By T. Lucas Makinen, Deaglan J. Bartlett, Niall Jeffrey, Benjamin D. Wandelt
arXiv Machine Learning
Jun 19

MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery

arXiv:2606. 19624v1 Announce Type: new Abstract: Reliable benchmarking is critical for developing machine learning models for tandem mass spectrometry (MS/MS) based molecule discovery.

By Hongxuan Liu, Roman Bushuiev, Ivy Lightheart, Mrunali Manjrekar, Anton Bushuiev, Magdalena Lederbauer, Filip Jozefov, Yinkai Wang, Soha Hassoun, Josef Sivic, James Taylor, Runzhong Wang, David Healey, Tom\'a\v{s} Pluskal, Connor W. Coley