Publications

1576 results for Machine Learning

Enabling Accurate and Interpretable Property Prediction with TDiMS in Large Molecules
- - Lisa Hamada
  - Akihiro Kishimoto
  - et al.
- 2025
- NeurIPS 2025
Emergent Pose-Invariance in 3D Molecular Representations via Multimodal Learning
- - Eduardo Almeida Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- NeurIPS 2025
Licence to Scale: A Microservice Simulation Environment for Benchmarking Agentic AI
- - Christopher Lohse
  - Adrian Selk
  - et al.
- 2025
- NeurIPS 2025
Contextual Bandits for Large-Scale Structured Discrete Constrained Optimization Problems
- - Pavithra Harsha
  - Chitra Subramanian
  - et al.
- 2025
- NeurIPS 2025
Quantifying policy uncertainty in generative flow networks with uncertain rewards
- - Ramon Nartallo-kaluarachchi
  - Robert Manson Sawko
  - et al.
- 2025
- NeurIPS 2025
Uncertainty-Aware Prediction of Climate Extremes Using Fine-Tuned Time-Series Foundation Models
- - Imran Nasim
  - Joao Lucas de Sousa Almeida
- 2025
- NeurIPS 2025
Foundation Models Enabling Multi-Scale Battery Materials Discovery: From Molecules To Devices
- - Vidushi Sharma
  - Andy Tek
  - et al.
- 2025
- NeurIPS 2025
Toward a Coherent Virtual Cell Model: Probing Biological World-Model Coherence in Transcriptomic Foundation Models
- - Noa Moriel
  - Yishai Shimoni
  - et al.
- 2025
- NeurIPS 2025
SafeCOMM: Investigating Safety Degradation in Fine-Tuned Telecom Large Language Models
- - Aladin Djuhera
  - Swanand Ravindra Kadhe
  - et al.
- 2025
- NeurIPS 2025
MermaidSeqBench: An Evaluation Benchmark for LLM-to-Mermaid Sequence Diagram Generation
- - Basel Shbita
  - Farhan Ahmed
  - et al.
- 2025
- NeurIPS 2025