Related papers: Aligning Reasoning LLMs for Materials Discovery wi…

High-throughput experimentation enables efficient search space exploration for the discovery and optimization of new materials. However, large search spaces of, e.g., compositionally complex materials, require decreasing characterization…

As candidate generation and high-throughput experimentation advance, the primary bottleneck in materials discovery is shifting from property prediction to making reliable evaluations among massive candidate sets. We propose a…

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Causality detection and mining are important tasks in information retrieval due to their enormous use in information extraction, and knowledge graph construction. To solve these tasks, in existing literature there exist several solutions --…

Large Language Models (LLMs) have achieved significant advances in reasoning tasks. A key approach is tree-based search with verifiers, which expand candidate reasoning paths and use reward models to guide pruning and selection. Although…

Large Language Models (LLMs) have exhibited remarkable capabilities in many complex tasks including mathematical reasoning. However, traditional approaches heavily rely on ensuring self-consistency within single prompting method, which…

Large Language Models (LLMs) often falter in complex reasoning tasks due to their static, parametric knowledge, leading to hallucinations and poor performance in specialized domains like mathematics. This work explores a fundamental…

The ability to explain decisions made by machine learning models remains one of the most significant hurdles towards widespread adoption of AI in highly sensitive areas such as medicine, cybersecurity or autonomous driving. Great interest…

This work-in-progress research-to-practice paper explores the integration of Large Language Models (LLMs) into the code-review process for open-source software projects developed in computer science and software engineering courses. The…

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

Reinforcement learning (RL) finetuning has become a key technique for enhancing the reasoning abilities of large language models (LLMs). However, its effectiveness critically depends on the selection of training data. Recent advances…

In the context of proxy modeling for process systems, traditional data-driven deep learning approaches frequently encounter significant challenges, such as substantial training costs induced by large amounts of data, and limited…

Large Language Models (LLMs) are increasingly deployed to automatically label and analyze educational dialogue at scale, yet current pipelines lack reliable ways to detect when models are wrong. We investigate whether reasoning generated by…

The reasoning ability of large language models (LLMs) can be unleashed with reinforcement learning (RL) (OpenAI, 2024; DeepSeek-AI et al., 2025a; Zeng et al., 2025). The success of existing RL attempts in LLMs usually rely on high-quality…

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

While Large Reasoning Models (LRMs) have demonstrated exceptional logical capabilities in mathematical domains, their application to the legal field remains hindered by the strict requirements for procedural rigor and adherence to legal…

Evaluating large language models (LLMs) typically requires thousands of benchmark items, making the process expensive, slow, and increasingly impractical at scale. Existing evaluation protocols rely on average accuracy over fixed item sets,…

Long-form video reasoning remains a major challenge for Video Large Language Models (Video LLMs), as static uniform frame sampling leads to information dilution and obscures critical evidence. Furthermore, existing pixel-space video…

Large language models (LLMs) have shown increasing in-context learning capabilities through scaling up model and data size. Despite this progress, LLMs are still unable to solve algorithmic reasoning problems. While providing a rationale…

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…