Reasoning models
arxiv arXiv cs.LG · 1d ago

Atomistic Language Models Understand and Generate Materials

Atomistic Language Models (ALMs) unify language and atomistic structures, enabling natural language-driven crystal generation and optimization. ALMs use a continuous bridge to map language embeddings into atomistic diffusion steering space and employ Text-to-Crystal Feynman-Kac for stoichiometric accuracy. The ALM Bench benchmark evaluates text-conditioned material generation and optimization, with code and weights to be released soon.

arxiv arXiv cs.LG · 2d ago

BIPC Framework Accelerates Mixed-Integer Optimization with Machine Learning

The BIPC framework reduces solution time for large-scale mixed-integer programs by identifying a backdoor subset of variables that drive computational complexity. Using supervised learning, it predicts backdoor variable values and intervals, then solves a reduced problem with these predictions, achieving significant speedups with minimal quality loss. This enables rapid, high-quality solutions under parameter perturbations in real-world systems like power and supply chains.

arxiv arXiv cs.CL · 2d ago

Match Task to Objective Framework for Encoder-Decoder Models

This study introduces the Match Task to Objective (MTO) framework to align pre-training and fine-tuning objectives with specific tasks. The framework enables automated, unsupervised data adaptation and delivers performance gains of over 120% in few-shot settings, outperforming baselines in both few-shot and full-dataset scenarios. It also enhances prompt-tuning by providing effective soft prompt engineering guidance.