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Beyond Protein Language Models: An Agentic LLM Framework for Mechanistic Enzyme Design

arXiv.org Artificial Intelligence

We present Genie-CAT, a tool-augmented large-language-model (LLM) system designed to accelerate scientific hypothesis generation in protein design. Using metalloproteins (e.g., ferredoxins) as a case study, Genie-CAT integrates four capabilities -- literature-grounded reasoning through retrieval-augmented generation (RAG), structural parsing of Protein Data Bank files, electrostatic potential calculations, and machine-learning prediction of redox properties -- into a unified agentic workflow. By coupling natural-language reasoning with data-driven and physics-based computation, the system generates mechanistically interpretable, testable hypotheses linking sequence, structure, and function. In proof-of-concept demonstrations, Genie-CAT autonomously identifies residue-level modifications near [Fe--S] clusters that affect redox tuning, reproducing expert-derived hypotheses in a fraction of the time. The framework highlights how AI agents combining language models with domain-specific tools can bridge symbolic reasoning and numerical simulation, transforming LLMs from conversational assistants into partners for computational discovery.


SLMFix: Leveraging Small Language Models for Error Fixing with Reinforcement Learning

arXiv.org Artificial Intelligence

Recent advancements in large language models (LLMs) have shown very impressive capabilities in code generation across many programming languages. However, even state-of-the-art LLMs generate programs that contains syntactic errors and fail to complete the given tasks, especially for low-resource programming languages (LRPLs). In addition, high training cost makes finetuning LLMs unaffordable with constrained computational resources, further undermining the effectiveness of LLMs for code generation. In this work, we propose SLMFix, a novel code generation pipeline that leverages a small language model (SLM) finetuned using reinforcement learning (RL) techniques to fix syntactic errors in LLM-generated programs to improve the quality of LLM-generated programs for domain-specific languages (DSLs). In specific, we applied RL on the SLM for the program repair task using a reward calculated using both a static validator and a static semantic similarity metric. Our experimental results demonstrate the effectiveness and generalizability of our approach across multiple DSLs, achieving more than 95% pass rate on the static validator. Notably, SLMFix brings substantial improvement to the base model and outperforms supervised finetuning approach even for 7B models on a LRPL, showing the potential of our approach as an alternative to traditional finetuning approaches.


Be My Eyes: Extending Large Language Models to New Modalities Through Multi-Agent Collaboration

arXiv.org Artificial Intelligence

Large Language Models (LLMs) have demonstrated remarkable capabilities in challenging, knowledge-intensive reasoning tasks. However, extending LLMs to perceive and reason over a new modality (e.g., vision), often requires costly development of large-scale vision language models (VLMs) with LLMs as backbones. Smaller VLMs are more efficient and adaptable but often lack the broad knowledge and reasoning capabilities of frontier LLMs. In this work, we propose BeMyEyes, a modular, multi-agent framework for extending LLMs to multimodal reasoning by orchestrating collaboration between efficient, adaptable VLMs as perceivers and powerful LLMs as reasoners through conversations. We then introduce a data synthesis and supervised fine-tuning pipeline to train the perceiver agent to effectively collaborate with the reasoner agent. By combining the complementary strengths of perception and reasoning agents, BeMyEyes avoids the need for training large-scale multimodal models, preserves the generalization and reasoning capabilities of LLMs, and allows flexible extension to new domains and modalities. Experiments show that our framework unlocks the multimodal reasoning capabilities for LLMs, enabling a lightweight and fully open-source solution, i.e. equipping text-only DeepSeek-R1 with Qwen2.5-VL-7B perceiver, to outperform large-scale proprietary VLMs such as GPT-4o on a wide range of knowledge-intensive multimodal tasks. These results demonstrate the effectiveness, modularity, and scalability of our multi-agent approach for building future multimodal reasoning systems.


Leveraging LLMs for reward function design in reinforcement learning control tasks

arXiv.org Artificial Intelligence

The challenge of designing effective reward functions in reinforcement learning (RL) represents a significant bottleneck, often requiring extensive human expertise and being time-consuming. Previous work and recent advancements in large language models (LLMs) have demonstrated their potential for automating the generation of reward functions. However, existing methodologies often require preliminary evaluation metrics, human-engineered feedback for the refinement process, or the use of environmental source code as context. To address these limitations, this paper introduces LEARN-Opt (LLM-based Evaluator and Analyzer for Reward functioN Optimization). This LLM-based, fully autonomous, and model-agnostic framework eliminates the need for preliminary metrics and environmental source code as context to generate, execute, and evaluate reward function candidates from textual descriptions of systems and task objectives. LEARN-Opt's main contribution lies in its ability to autonomously derive performance metrics directly from the system description and the task objective, enabling unsupervised evaluation and selection of reward functions. Our experiments indicate that LEARN-Opt achieves performance comparable to or better to that of state-of-the-art methods, such as EUREKA, while requiring less prior knowledge. We find that automated reward design is a high-variance problem, where the average-case candidate fails, requiring a multi-run approach to find the best candidates. Finally, we show that LEARN-Opt can unlock the potential of low-cost LLMs to find high-performing candidates that are comparable to, or even better than, those of larger models. This demonstrated performance affirms its potential to generate high-quality reward functions without requiring any preliminary human-defined metrics, thereby reducing engineering overhead and enhancing generalizability.


Annotation-Free Class-Incremental Learning

arXiv.org Artificial Intelligence

Despite significant progress in continual learning ranging from architectural novelty to clever strategies for mitigating catastrophic forgetting; most existing methods rest on a strong but unrealistic assumption: "the availability of labeled data throughout the learning process". In real-world scenarios, however, data often arrives sequentially and without annotations, rendering conventional approaches impractical. In this work, we revisit the fundamental assumptions of continual learning and ask: Can current systems adapt when labels are absent and tasks emerge incrementally over time? T o this end, we introduce Annotation-Free Class-Incremental Learning (AF-CIL), a more realistic and challenging paradigm where unlabeled data arrives continuously, and the learner must incrementally acquire new classes without any supervision. T o enable effective learning under AF-CIL, we propose CrossW orld-CL, a Cross Domain W orld Guided Continual Learning framework that incorporates external world knowledge as a stable auxiliary source. The method retrieves semantically related ImageNet classes for each downstream category, maps downstream and ImageNet features through a cross-domain alignment strategy and finally introduce a novel replay strategy. This design lets the model uncover semantic structure without annotations while keeping earlier knowledge intact.


Learning to Reason: Training LLMs with GPT-OSS or DeepSeek R1 Reasoning Traces

arXiv.org Artificial Intelligence

Test-time scaling, which leverages additional computation during inference to improve model accuracy, has enabled a new class of Large Language Models (LLMs) that are able to reason through complex problems by understanding the goal, turning this goal into a plan, working through intermediate steps, and checking their own work before answering . Frontier large language models with reasoning capabilities, such as DeepSeek-R1 and OpenAI's gpt-oss, follow the same procedure when solving complex problems by generating intermediate reasoning traces before giving the final answer. Today, these models are being increasingly used to generate reasoning traces that serve as high-quality supervised data for post-training of small and medium-sized language models to teach reasoning capabilities without requiring expensive human curation. In this work, we compare the performance of medium-sized LLMs on Math problems after post-training on two kinds of reasoning traces. We compare the impact of reasoning traces generated by DeepSeek-R1 and gpt-oss LLMs in terms of accuracy and inference efficiency.


Generative Query Expansion with Multilingual LLMs for Cross-Lingual Information Retrieval

arXiv.org Artificial Intelligence

Query expansion is the reformulation of a user query by adding semantically related information, and is an essential component of monolingual and cross-lingual information retrieval used to ensure that relevant documents are not missed. Recently, multilingual large language models (mLLMs) have shifted query expansion from semantic augmentation with synonyms and related words to pseudo-document generation. Pseudo-documents both introduce additional relevant terms and bridge the gap between short queries and long documents, which is particularly beneficial in dense retrieval. This study evaluates recent mLLMs and fine-tuned variants across several generative expansion strategies to identify factors that drive cross-lingual retrieval performance. Results show that query length largely determines which prompting technique is effective, and that more elaborate prompts often do not yield further gains. Substantial linguistic disparities persist: cross-lingual query expansion can produce the largest improvements for languages with the weakest baselines, yet retrieval is especially poor between languages written in different scripts. Fine-tuning is found to lead to performance gains only when the training and test data are of similar format. These outcomes underline the need for more balanced multilingual and cross-lingual training and evaluation resources.


What Drives Cross-lingual Ranking? Retrieval Approaches with Multilingual Language Models

arXiv.org Artificial Intelligence

Cross-lingual information retrieval (CLIR) enables access to multilingual knowledge but remains challenging due to disparities in resources, scripts, and weak cross-lingual semantic alignment in embedding models. Existing pipelines often rely on translation and monolingual retrieval heuristics, which add computational overhead and noise, degrading performance. This work systematically evaluates four intervention types, namely document translation, multilingual dense retrieval with pretrained encoders, contrastive learning at word, phrase, and query-document levels, and cross-encoder re-ranking, across three benchmark datasets. We find that dense retrieval models trained specifically for CLIR consistently outperform lexical matching methods and derive little benefit from document translation. Contrastive learning mitigates language biases and yields substantial improvements for encoders with weak initial alignment, and re-ranking can be effective, but depends on the quality of the cross-encoder training data. Although high-resource languages still dominate overall performance, gains over lexical and document-translated baselines are most pronounced for low-resource and cross-script pairs. These findings indicate that cross-lingual search systems should prioritise semantic multilingual embeddings and targeted learning-based alignment over translation-based pipelines, particularly for cross-script and under-resourced languages.


Rethinking Intermediate Representation for VLM-based Robot Manipulation

arXiv.org Artificial Intelligence

Vision-Language Model (VLM) is an important component to enable robust robot manipulation. Y et, using it to translate human instructions into an action-resolvable intermediate representation often needs a tradeoff between VLM-comprehensibility and generalizability. Inspired by context-free grammar, we design the Semantic Assembly representation named SEAM, by decomposing the intermediate representation into vocabulary and grammar . Doing so leads us to a concise vocabulary of semantically-rich operations and a VLM-friendly grammar for handling diverse unseen tasks. In addition, we design a new open-vocabulary segmentation paradigm with a retrieval-augmented few-shot learning strategy to localize fine-grained object parts for manipulation, effectively with the shortest inference time over all state-of-the-art parallel works. Also, we formulate new metrics for action-generalizability and VLM-comprehensibility, demonstrating the compelling performance of SEAM over mainstream representations on both aspects.


PRInTS: Reward Modeling for Long-Horizon Information Seeking

arXiv.org Artificial Intelligence

Information-seeking is a core capability for AI agents, requiring them to gather and reason over tool-generated information across long trajectories. However, such multi-step information-seeking tasks remain challenging for agents backed by language models. While process reward models (PRMs) can guide agents by ranking candidate steps at test-time, existing PRMs, designed for short reasoning with binary judgment, cannot capture richer dimensions of information-seeking steps, such as tool interactions and reasoning over tool outputs, nor handle the rapidly growing context in long-horizon tasks. To address these limitations, we introduce PRInTS, a generative PRM trained with dual capabilities: (1) dense scoring based on the PRM's reasoning across multiple step quality dimensions (e.g., interpretation of tool outputs, tool call informativeness) and (2) trajectory summarization that compresses the growing context while preserving essential information for step evaluation. Extensive evaluations across FRAMES, GAIA (levels 1-3), and WebWalkerQA (easy-hard) benchmarks on multiple models, along with ablations, reveal that best-of-n sampling with PRInTS enhances information-seeking abilities of open-source models as well as specialized agents, matching or surpassing the performance of frontier models with a much smaller backbone agent and outperforming other strong reward modeling baselines.