Related papers: Bolek: A Multimodal Language Model for Molecular R…

Multimodal Large Language Models are primarily trained and evaluated on aligned image-text pairs, which leaves their ability to detect and resolve real-world inconsistencies largely unexplored. In open-domain applications visual and textual…

Large language models often solve complex reasoning tasks more effectively with Chain-of-Thought (CoT), but at the cost of long, low-bandwidth token sequences. Humans, by contrast, often reason softly by maintaining a distribution over…

Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ…

Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in…

Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods mostly rely on general-purpose prompting, which lacks…

Despite the recent success of large language models (LLMs) in reasoning such as DeepSeek, we for the first time identify a key dilemma in reasoning robustness and generalization: significant performance degradation on novel or incomplete…

We introduce Concept Bottleneck Protein Language Models (CB-pLM), a generative masked language model with a layer where each neuron corresponds to an interpretable concept. Our architecture offers three key benefits: i) Control: We can…

Text-guided molecular design is a key capability for AI-driven drug discovery, yet it remains challenging to map sequential natural-language instructions with non-linear molecular structures under strict chemical constraints. Most existing…

Large language models (LLMs), especially Explicit Long Chain-of-Thought (CoT) reasoning models like DeepSeek-R1 and QWQ, have demonstrated powerful reasoning capabilities, achieving impressive performance in commonsense reasoning and…

Multimodal large language models (MLLMs) perform strongly on natural images, yet their ability to understand discrete visual symbols remains unclear. We present a multi-domain benchmark spanning language, culture, mathematics, physics and…

We analyze reasoning in language models during task-specific fine-tuning and draws parallel between reasoning tokens--intermediate steps generated while solving problem and the human working memory. Drawing from cognitive science, we align…

Recently, Chain-of-Thought (CoT) prompting has delivered success on complex reasoning tasks, which aims at designing a simple prompt like ``Let's think step by step'' or multiple in-context exemplars with well-designed rationales to elicit…

Despite the remarkable success of large language models (LLMs) on traditional natural language processing tasks, their planning ability remains a critical bottleneck in tackling complex multi-step reasoning tasks. Existing approaches mainly…

Large language models (LLMs) solve complex problems yet fail on simpler variants, suggesting they achieve correct outputs through mechanisms fundamentally different from human reasoning. To understand this gap, we synthesize cognitive…

Recent studies have shown that Large Language Models (LLMs) can achieve strong reasoning performance by incorporating functional symbolic representations that abstractly describe graph traversal algorithms and step-by-step reasoning in…

The paradigm shift in large language models (LLMs) from instinctive responses to chain-of-thought (CoT) reasoning has fueled two prevailing assumptions: (1) reasoning capabilities only emerge in sufficiently large models, and (2) such…

Reasoning models (RMs), language models (LMs) trained with reinforcement learning to produce long-form natural language reasoning, have been remarkably successful, but they still require large amounts of computation and data to train, and…

Structured reasoning can improve the inference performance of large language models (LLMs), but it also introduces computational cost and control constraints. When additional reasoning structure helps, and when it instead reduces efficiency…

In the field of chemical engineering, traditional data-processing and prediction methods face significant challenges. Machine-learning and large-language models (LLMs) also have their respective limitations. This paper explores the…

Chain-of-Thought (CoT) prompting has significantly advanced task-solving capabilities in natural language processing with large language models. Unlike standard prompting, CoT encourages the model to generate intermediate reasoning steps,…