Automated Heuristic Design (AHD) using Large Language Models (LLMs) has achieved notable success in recent years. Despite the effectiveness of existing approaches, they only design a single heuristic to serve all problem instances, often inducing poor generalization across different distributions or settings. To address this issue, we propose Automated Heuristic Set Design (AHSD), a new formulation for LLM-driven AHD. The aim of AHSD is to automatically generate a small-sized complementary heuristic set to serve diverse problem instances, such that each problem instance could be optimized by at least one heuristic in this set. We show that the objective function of AHSD is monotone and supermodular. Then, we propose Evolution of Heuristic Set (EoH-S) to apply the AHSD formulation for LLM-driven AHD. With two novel mechanisms of complementary population management and complementary-aware memetic search, EoH-S could effectively generate a set of high-quality and complementary heuristics. Comprehensive experimental results on three AHD tasks with diverse instances spanning various sizes and distributions demonstrate that EoH-S consistently outperforms existing state-of-the-art AHD methods and achieves up to 60\% performance improvements.

Approximate nearest-neighbor search (ANNS) algorithms have become increasingly critical for recent AI applications, particularly in retrieval-augmented generation (RAG) and agent-based LLM applications. In this paper, we present CRINN, a new paradigm for ANNS algorithms. CRINN treats ANNS optimization as a reinforcement learning problem where execution speed serves as the reward signal. This approach enables the automatic generation of progressively faster ANNS implementations while maintaining accuracy constraints. Our experimental evaluation demonstrates CRINN's effectiveness across six widely-used NNS benchmark datasets. When compared against state-of-the-art open-source ANNS algorithms, CRINN achieves best performance on three of them (GIST-960-Euclidean, MNIST-784-Euclidean, and GloVe-25-angular), and tied for first place on two of them (SIFT-128-Euclidean and GloVe-25-angular). The implications of CRINN's success reach well beyond ANNS optimization: It validates that LLMs augmented with reinforcement learning can function as an effective tool for automating sophisticated algorithmic optimizations that demand specialized knowledge and labor-intensive manual refinement. Code can be found at https://github.com/deepreinforce-ai/CRINN

Out-of-distribution (OOD) scenarios in autonomous driving pose critical challenges, as planners often fail to generalize beyond their training experience, leading to unsafe or unexpected behavior . Vision-Language Models (VLMs) have shown promise in handling such scenarios by providing high-level scene understanding and user-aligned decisions. However, existing VLMs often exhibit a misalignment between their language-based reasoning and the low-level trajectories required for action-level planning. In this paper, we propose LaViPlan, a framework that leverages Reinforcement Learning with V erifiable Rewards (RLVR) to fine-tune VLMs using planning-oriented metrics. Experimental results show that LaViPlan improves planning performance across both in-domain and out-of-domain datasets. While linguistic fidelity slightly decreases after RLVR-based fine-tuning, qualitative evaluation indicates that the outputs remain coherent. W e also conduct ablation studies to analyze the effects of sampling ratio and reasoning guidance, highlighting how these design choices influence performance. These findings demonstrate the potential of RLVR as a post-training paradigm for aligning language-guided reasoning with action-level planning in autonomous driving.

The synthesis of complex natural products remains one of the grand challenges of organic chemistry. We present DeepRetro, a major advancement in computational retrosynthesis that enables the discovery of viable synthetic routes for complex molecules typically considered beyond the reach of existing retrosynthetic methods. DeepRetro is a novel, open-source framework that tightly integrates large language models (LLMs), traditional retrosynthetic engines, and expert human feedback in an iterative design loop. Prior approaches rely solely on template-based methods or unconstrained LLM outputs. In contrast, DeepRetro combines the precision of template-based methods with the generative flexibility of LLMs, controlled by rigorous chemical validity checks and enhanced by recursive refinement. This hybrid system dynamically explores and revises synthetic pathways, guided by both algorithmic checks and expert chemist feedback through an interactive user interface. While DeepRetro achieves strong performance on standard retrosynthesis benchmarks, its true strength lies in its ability to propose novel, viable pathways to highly complex natural products-targets that have historically eluded automated planning. Through detailed case studies, we illustrate how this approach enables new routes for total synthesis and facilitates human-machine collaboration in organic chemistry. Beyond retrosynthesis, DeepRetro represents a working model for how to leverage LLMs in scientific discovery. We provide a transparent account of the system's design, algorithms, and human-feedback loop, enabling broad adaptation across scientific domains. By releasing DeepRetro as an open-source tool, we aim to empower chemists to tackle increasingly ambitious synthetic targets, accelerating progress in drug discovery, materials design, and beyond.

Recent advances have applied large language models (LLMs) to sequential recommendation, leveraging their pre-training knowledge and reasoning capabilities to provide more personalized user experiences. However, existing LLM-based methods fail to sufficiently leverage the rich temporal information inherent in users' historical interaction sequences, stemming from fundamental architectural constraints: LLMs process information through self-attention mechanisms that lack inherent sequence ordering and rely on position embeddings designed primarily for natural language rather than user interaction sequences. This limitation significantly impairs their ability to capture the evolution of user preferences over time and predict future interests accurately. To address this critical gap, we propose \underline{C}ounterfactual \underline{E}nhanced \underline{T}emporal Framework for LLM-Based \underline{Rec}ommendation (CETRec). CETRec is grounded in causal inference principles, which allow it to isolate and measure the specific impact of temporal information on recommendation outcomes. Combined with our counterfactual tuning task derived from causal analysis, CETRec effectively enhances LLMs' awareness of both absolute order (how recently items were interacted with) and relative order (the sequential relationships between items). Extensive experiments on real-world datasets demonstrate the effectiveness of our CETRec. Our code is available at https://anonymous.4open.science/r/CETRec-B9CE/.

Large language models (LLMs) are being piloted for clinical coding and decision support, yet no open benchmark targets the hospital-funding layer where Diagnosis-Related Groups (DRGs) determine reimbursement. In most OECD systems, DRGs route a substantial share of multi-trillion-dollar health spending through governed grouper software, making transparency and auditability first-order concerns. We release NordDRG-AI-Benchmark, the first public, rule-complete test bed for DRG reasoning. The package includes (i) machine-readable approximately 20-sheet NordDRG definition tables and (ii) expert manuals and change-log templates that capture governance workflows. It exposes two suites: a 13-task Logic benchmark (code lookup, cross-table inference, grouping features, multilingual terminology, and CC/MCC validity checks) and a 13-task Grouper benchmark that requires full DRG grouper emulation with strict exact-match scoring on both the DRG and the triggering drg_logic.id. Lightweight reference agents (LogicAgent, GrouperAgent) enable artefact-only evaluation. Under an artefact-only (no web) setting, on the 13 Logic tasks GPT-5 Thinking and Opus 4.1 score 13/13, o3 scores 12/13; mid-tier models (GPT-5 Thinking Mini, o4-mini, GPT-5 Fast) achieve 6-8/13, and remaining models score 5/13 or below. On full grouper emulation across 13 tasks, GPT-5 Thinking solves 7/13, o3 6/13, o4-mini 3/13; GPT-5 Thinking Mini solves 1/13, and all other tested endpoints score 0/13. To our knowledge, this is the first public report of an LLM partially emulating the complete NordDRG grouper logic with governance-grade traceability. Coupling a rule-complete release with exact-match tasks and open scoring provides a reproducible yardstick for head-to-head and longitudinal evaluation in hospital funding. Benchmark materials available in Github.

Automatic speech recognition (ASR) systems have achieved strong performance on general transcription tasks. However, they continue to struggle with recognizing rare named entities and adapting to domain mismatches. In contrast, large language models (LLMs), trained on massive internet-scale datasets, are often more effective across a wide range of domains. In this work, we propose a reinforcement learning based approach for unsupervised domain adaptation, leveraging unlabeled data to enhance transcription quality, particularly the named entities affected by domain mismatch, through feedback from a LLM. Given contextual information, our framework employs a LLM as the reward model to score the hypotheses from the ASR model. These scores serve as reward signals to fine-tune the ASR model via reinforcement learning. Our method achieves a 21\% improvement on entity word error rate over conventional self-training methods.

Accurate electricity price forecasting (EPF) is crucial for effective decision-making in power trading on the spot market. While recent advances in generative artificial intelligence (GenAI) and pre-trained large language models (LLMs) have inspired the development of numerous time series foundation models (TSFMs) for time series forecasting, their effectiveness in EPF remains uncertain. To address this gap, we benchmark several state-of-the-art pretrained models--Chronos-Bolt, Chronos-T5, TimesFM, Moirai, Time-MoE, and TimeGPT--against established statistical and machine learning (ML) methods for EPF. Using 2024 day-ahead auction (DAA) electricity prices from Germany, France, the Netherlands, Austria, and Belgium, we generate daily forecasts with a one-day horizon. Chronos-Bolt and Time-MoE emerge as the strongest among the TSFMs, performing on par with traditional models. However, the biseasonal MSTL model, which captures daily and weekly seasonality, stands out for its consistent performance across countries and evaluation metrics, with no TSFM statistically outperforming it.

Recent advances in reinforcement learning (RL) with numerical feedback, such as scalar rewards, have significantly enhanced the complex reasoning capabilities of large language models (LLMs). Despite this success, we identify three key challenges encountered by RL with solely numerical feedback: performance plateaus, limited effectiveness of spontaneous self-reflection, and persistent failures. We then demonstrate that RL-finetuned models, even after exhibiting performance plateaus, can generate correct refinements on persistently failed problems by leveraging natural language feedback in the form of critiques. Building on this insight, we propose Critique-GRPO, an online RL framework that integrates both natural language and numerical feedback for effective policy optimization. Critique-GRPO enables LLMs to learn from initial responses and critique-guided self-refinements simultaneously while maintaining exploration. Additionally, we employ a shaping function to amplify learning from correct, especially unfamiliar, refinements and penalize incorrect ones. Extensive experiments with Qwen2.5-7B-Base, Qwen2.5-Math-7B-Base, and Qwen3-8B demonstrate that Critique-GRPO consistently outperforms supervised learning and RL-based fine-tuning methods across eight challenging mathematical, STEM, and general reasoning tasks. Specifically, Critique-GRPO improves average pass@1 scores across all compared methods by approximately +4.4% on Qwen2.5-7B-Base and +3.8% on Qwen3-8B. Notably, Critique-GRPO enables effective self-improvement through self-critiquing, achieving significant gains over GRPO, e.g., +16.7% pass@1 improvement on AIME 2024.

Federated fine-tuning has emerged as a promising approach to adapt foundation models to downstream tasks using decentralized data. However, real-world deployment remains challenging due to the high computational and communication demands of fine-tuning Large Language Models (LLMs) on clients with data and system resources that are heterogeneous and constrained. In such settings, the global model's performance is often bottlenecked by the weakest clients and further degraded by the non-IID nature of local data. Although existing methods leverage parameter-efficient techniques such as Low-Rank Adaptation (LoRA) to reduce communication and computation overhead, they often fail to simultaneously ensure accurate aggregation of low-rank updates and maintain low system costs, thereby hindering overall performance. To address these challenges, we propose AFLoRA, an adaptive and lightweight federated fine-tuning framework for LLMs. AFLoRA decouples shared and client-specific updates to reduce overhead and improve aggregation accuracy, incorporates diagonal matrix-based rank pruning to better utilize local resources, and employs rank-aware aggregation with public data refinement to strengthen generalization under data heterogeneity. Extensive experiments demonstrate that AFLoRA outperforms state-of-the-art methods in both accuracy and efficiency, providing a practical solution for efficient LLM adaptation in heterogeneous environments in the real world.