PepThink-R1: LLM for Interpretable Cyclic Peptide Optimization with CoT SFT and Reinforcement Learning

OpenAI's GPT-5 Science Acceleration report highlights how researchers are utilizing the model to streamline their daily tasks. The report provides insights into the practical applications of AI in scientific research while emphasizing the continued need for human oversight in decision-making processes.

The rapid expansion of large language models' (LLMs) capabilities—including web search, code execution, data analysis, and hypothesis generation—is outpacing critical reflection on their role in academic research. This raises questions about the implications of LLMs in various fields and the need for a more structured approach to their integration into research methodologies.

The paper introduces LLMInit, a scalable framework that integrates pre-trained large language model (LLM) embeddings into collaborative filtering (CF) models to address cold-start and data-sparse issues in recommendation systems. By employing selective initialization strategies and efficient sampling methods, LLMInit aims to enhance the performance of CF models while mitigating embedding collapse challenges associated with large LLMs.

The article introduces LIARS' BENCH, a comprehensive testbed designed to evaluate lie detection techniques in large language models (LLMs). It consists of 72,863 examples of lies and honest responses generated by four open-weight models across seven datasets. The study reveals that existing lie detection methods often fail to identify certain types of lies, particularly when the model's deception cannot be discerned from the transcript alone, highlighting limitations in current techniques.

The paper presents SDA (Steering-Driven Distribution Alignment), a model-agnostic framework aimed at aligning large language models (LLMs) with human intent without the need for fine-tuning. As LLMs are increasingly deployed in various applications, ensuring their responses meet user expectations is crucial. SDA dynamically adjusts model output probabilities based on user-defined instructions, addressing the challenge of alignment during inference efficiently and cost-effectively.

AMS-KV introduces an adaptive Key and Value (KV) caching mechanism for multi-scale visual autoregressive transformers, addressing the challenges of excessive memory growth in next-scale predictions. The study reveals that local scale token attention enhances generation quality, while allocating minimal memory for coarsest scales stabilizes image generation. The findings emphasize the importance of cache-efficient layers in maintaining strong KV similarity across finer scales.

JudgeBoard is a new evaluation pipeline designed to assess the correctness of candidate answers generated by small language models (SLMs) without requiring comparisons to ground-truth labels. This method aims to enhance the evaluation of reasoning tasks, particularly in mathematical and commonsense reasoning domains. The approach seeks to provide a more direct and scalable means of evaluating reasoning outputs compared to traditional large language models (LLMs) frameworks.

The concept of verbalized algorithms (VAs) is introduced as a method to enhance the reliability of large language models (LLMs) in reasoning tasks. VAs break down complex tasks into simpler operations on natural language strings, allowing LLMs to function effectively within a limited scope. An example provided is verbalized sorting, which utilizes an LLM as a binary comparison oracle within a known sorting algorithm, demonstrating effectiveness in sorting and clustering tasks.