Related papers: MolReasoner: Toward Effective and Interpretable Re…

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical…

Large language models often expose their brittleness in reasoning tasks, especially while executing long chains of reasoning over context. We propose MemReasoner, a new and simple memory-augmented LLM architecture, in which the memory…

Large language models (LLMs) often generate hallucinations -- unsupported content that undermines reliability. While most prior works frame hallucination detection as a binary task, many real-world applications require identifying…

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols…

Reinforcement Learning (RL) has shown promise in improving the reasoning abilities of Large Language Models (LLMs). However, the specific challenges of adapting RL to multimodal data and formats remain relatively unexplored. In this work,…

Large language models (LLMs) have large potential for molecular optimization, as they can gather external chemistry tools and enable collaborative interactions to iteratively refine molecular candidates. However, this potential remains…

Multimodal Large Language Models struggle to maintain reliable performance under extreme real-world visual degradations, which impede their practical robustness. Existing robust MLLMs predominantly rely on implicit training/adaptation that…

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug…

Reasoning plays a crucial role in advancing Multimodal Large Language Models (MLLMs) toward Artificial General Intelligence. However, existing MLLM benchmarks often fall short in precisely and comprehensively evaluating long-chain reasoning…

While large language models (LLMs) leverage both knowledge and reasoning during inference, the capacity to distinguish between them plays a pivotal role in model analysis, interpretability, and development. Inspired by dual-system cognitive…

Recent advances in Multi-Modal Large Language Models (MLLMs) have enabled unified processing of language, vision, and structured inputs, opening the door to complex tasks such as logical deduction, spatial reasoning, and scientific…

Large Language Models (LLMs) are widely used across various scenarios due to their exceptional reasoning capabilities and natural language understanding. While LLMs demonstrate strong performance in tasks involving mathematics and coding,…

Multimodal hallucination in multimodal large language models (MLLMs) restricts the correctness of MLLMs. However, multimodal hallucinations are multi-sourced and arise from diverse causes. Existing benchmarks fail to adequately distinguish…

With the advent of large language models(LLMs) enhanced by the chain-of-thought(CoT) methodology, visual reasoning problem is usually decomposed into manageable sub-tasks and tackled sequentially with various external tools. However, such a…

Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in…

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Multimodal large language models (MLLMs) that integrate visual and textual reasoning leverage chain-of-thought (CoT) prompting to tackle complex visual tasks, yet continue to exhibit visual hallucinations and an over-reliance on textual…

Recent advancements in large language models (LLMs) have demonstrated substantial progress in reasoning capabilities, such as DeepSeek-R1, which leverages rule-based reinforcement learning to enhance logical reasoning significantly.…

Structured reasoning over natural language inputs remains a core challenge in artificial intelligence, as it requires bridging the gap between unstructured linguistic expressions and formal logical representations. In this paper, we propose…