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 Deep Learning


GRPO++: Enhancing Dermatological Reasoning under Low Resource Settings

arXiv.org Artificial Intelligence

Abstract-- Vision-Language Models (VLMs) show promise in medical image analysis, yet their capacity for structured reasoning in complex domains like dermatology is often limited by data scarcity and the high computational cost of advanced training techniques. To address these challenges, we introduce DermIQ-VLM, a VLM developed through a multi-stage, resource-efficient methodology designed to emulate a dermatologist's diagnostic process. Our primary contribution is a modified version of Grouped Relative Policy Optimization (GRPO), called GRPO++, which stabilizes the powerful but data-intensive GRPO framework. Our proposed training pipeline first employs GRPO++ for reasoning-oriented disease recognition, followed by supervised fine-tuning for conversational ability. To mitigate factual errors introduced during this step, we then align the model using Direct Preference Optimization (DPO), leveraging a Knowledge Graph-based system as a scalable proxy for expert preference. A preliminary evaluation on a curated dermatological dataset demonstrates that our proposed methodology yields notable performance gains over standard fine-tuning approaches.


Automated Extraction of Material Properties using LLM-based AI Agents

arXiv.org Artificial Intelligence

The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are either small, manually curated, or biased toward first principles results, leaving experimental literature underexploited. We present an agentic, large language model (LLM)-driven workflow that autonomously extracts thermoelectric and structural-properties from about 10,000 full-text scientific articles. The pipeline integrates dynamic token allocation, zeroshot multi-agent extraction, and conditional table parsing to balance accuracy against computational cost. Benchmarking on 50 curated papers shows that GPT-4.1 achieves the highest accuracy (F1 = 0.91 for thermoelectric properties and 0.82 for structural fields), while GPT-4.1 Mini delivers nearly comparable performance (F1 = 0.89 and 0.81) at a fraction of the cost, enabling practical large scale deployment. Applying this workflow, we curated 27,822 temperature resolved property records with normalized units, spanning figure of merit (ZT), Seebeck coefficient, conductivity, resistivity, power factor, and thermal conductivity, together with structural attributes such as crystal class, space group, and doping strategy. Dataset analysis reproduces known thermoelectric trends, such as the superior performance of alloys over oxides and the advantage of p-type doping, while also surfacing broader structure-property correlations. To facilitate community access, we release an interactive web explorer with semantic filters, numeric queries, and CSV export. This study delivers the largest LLM-curated thermoelectric dataset to date, provides a reproducible and cost-profiled extraction pipeline, and establishes a foundation for scalable, data-driven materials discovery beyond thermoelectrics.


LLMRank: Understanding LLM Strengths for Model Routing

arXiv.org Artificial Intelligence

The rapid growth of large language models (LLMs) with diverse capabilities, latency and computational costs presents a critical deployment challenge: selecting the most suitable model for each prompt to optimize the trade-off between performance and efficiency. We introduce LLMRank, a prompt-aware routing framework that leverages rich, human-readable features extracted from prompts, including task type, reasoning patterns, complexity indicators, syntactic cues, and signals from a lightweight proxy solver. Unlike prior one-shot routers that rely solely on latent embeddings, LLMRank predicts per-model utility using a neural ranking model trained on RouterBench, comprising 36,497 prompts spanning 11 benchmarks and 11 state-of-the-art LLMs, from small efficient models to large frontier systems. Our approach achieves up to 89.2% of oracle utility, while providing interpretable feature attributions that explain routing decisions. Extensive studies demonstrate the importance of multifaceted feature extraction and the hybrid ranking objective, highlighting the potential of feature-driven routing for efficient and transparent LLM deployment.


Enhancing Transformer-Based Rerankers with Synthetic Data and LLM-Based Supervision

arXiv.org Artificial Intelligence

Effective document reranking is essential for improving search relevance across diverse applications. While Large Language Models (LLMs) excel at reranking due to their deep semantic understanding and reasoning, their high computational cost makes them impractical for many real-world deployments. Fine-tuning smaller, task-specific models is a more efficient alternative but typically depends on scarce, manually labeled data. To overcome this, we propose a novel pipeline that eliminates the need for human-labeled query-document pairs. Our method uses LLMs to generate synthetic queries from domain-specific corpora and employs an LLM-based classifier to label positive and hard-negative pairs. This synthetic dataset is then used to fine-tune a smaller transformer model with contrastive learning using Localized Contrastive Estimation (LCE) loss. Experiments on the MedQuAD dataset show that our approach significantly boosts in-domain performance and generalizes well to out-of-domain tasks. By using LLMs for data generation and supervision rather than inference, we reduce computational costs while maintaining strong reranking capabilities.


ClaimCheck: Real-Time Fact-Checking with Small Language Models

arXiv.org Artificial Intelligence

We introduce ClaimCheck, an LLM-guided automatic fact-checking system designed to verify real-world claims using live Web evidence and small language models. Unlike prior systems that rely on large, closed-source models and static knowledge stores, ClaimCheck employs a transparent, stepwise verification pipeline that mirrors human fact-checking workflows consisting of Web search query planning, Web-based evidence retrieval and summarization, evidence synthesis and re-retrieval, and claim verdict evaluation. Each module is optimized for small LLMs, allowing the system to deliver accurate and interpretable fact-checking with significantly lower computational requirements. Despite using a much smaller Qwen3-4B model, ClaimCheck achieves state-of-the-art accuracy of 76.4% on the AVeriTeC dataset, outperforming previous approaches using LLaMA3.1 70B and GPT-4o. Extensive ablations demonstrate that careful modular design and prompting strategies can overcome the limitations of smaller LLMs. To promote accessibility and transparency, we provide a public demo at https://idir.uta.edu/claimcheck.


Control the Temperature: Selective Sampling for Diverse and High-Quality LLM Outputs

arXiv.org Artificial Intelligence

Diversity is an essential metric for evaluating the creativity of outputs generated by language models. Temperature-based sampling is a common strategy to increase diversity. However, for tasks that require high precision, e.g., mathematical reasoning, uncontrolled high temperature sampling, e.g., min-$p$ or top-$p$, degrades reasoning quality. We demonstrate that the loss of accuracy is caused by sampling incorrect continuations in sensitive decoding positions. To address this, in this paper, we propose \textbf{selective sampling}, a method that dynamically switches between greedy and high-temperature sampling based on a sampling risk metric. This risk metric estimates the likelihood of output errors when applying high-temperature sampling on the current token position. To predict sampling risk, we train a lightweight classifier on a small subset of verifiable problems. The trained classifier can be integrated with the base language model with minimal latency overhead. Experiments on mathematical reasoning tasks demonstrate that selective sampling enhances the quality-diversity trade-off, even in high-temperature settings.


Accelerating Long-Term Molecular Dynamics with Physics-Informed Time-Series Forecasting

arXiv.org Artificial Intelligence

Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the feasibility of long-term simulations. We propose a novel approach that formulates MD simulation as a time-series forecasting problem, enabling advanced forecasting models to predict atomic trajectories via displacements rather than absolute positions. We incorporate a physics-informed loss and inference mechanism based on DFT-parametrised pair-wise Morse potential functions that penalize unphysical atomic proximity to enforce physical plausibility. Our method consistently surpasses standard baselines in simulation accuracy across diverse materials. The results highlight the importance of incorporating physics knowledge to enhance the reliability and precision of atomic trajectory forecasting. Remarkably, it enables stable modeling of thousands of MD steps in minutes, offering a scalable alternative to costly DFT simulations.


Mamba Outpaces Reformer in Stock Prediction with Sentiments from Top Ten LLMs

arXiv.org Artificial Intelligence

The stock market is extremely difficult to predict in the short term due to high market volatility, changes caused by news, and the non-linear nature of the financial time series. This research proposes a novel framework for improving minute-level prediction accuracy using semantic sentiment scores from top ten different large language models (LLMs) combined with minute interval intraday stock price data. We systematically constructed a time-aligned dataset of AAPL news articles and 1-minute Apple Inc. (AAPL) stock prices for the dates of April 4 to May 2, 2025. The sentiment analysis was achieved using the DeepSeek-V3, GPT variants, LLaMA, Claude, Gemini, Qwen, and Mistral models through their APIs. Each article obtained sentiment scores from all ten LLMs, which were scaled to a [0, 1] range and combined with prices and technical indicators like RSI, ROC, and Bollinger Band Width. Two state-of-the-art such as Reformer and Mamba were trained separately on the dataset using the sentiment scores produced by each LLM as input. Hyper parameters were optimized by means of Optuna and were evaluated through a 3-day evaluation period. Reformer had mean squared error (MSE) or the evaluation metrics, and it should be noted that Mamba performed not only faster but also better than Reformer for every LLM across the 10 LLMs tested. Mamba performed best with LLaMA 3.3--70B, with the lowest error of 0.137. While Reformer could capture broader trends within the data, the model appeared to over smooth sudden changes by the LLMs. This study highlights the potential of integrating LLM-based semantic analysis paired with efficient temporal modeling to enhance real-time financial forecasting.


Mechanistic Interpretability as Statistical Estimation: A Variance Analysis of EAP-IG

arXiv.org Artificial Intelligence

The development of trustworthy artificial intelligence requires moving beyond black-box performance metrics toward an understanding of models' internal computations. Mechanistic Interpretability (MI) aims to meet this need by identifying the algorithmic mechanisms underlying model behaviors. Yet, the scientific rigor of MI critically depends on the reliability of its findings. In this work, we argue that interpretability methods, such as circuit discovery, should be viewed as statistical estimators, subject to questions of variance and robustness. To illustrate this statistical framing, we present a systematic stability analysis of a state-of-the-art circuit discovery method: EAP-IG. We evaluate its variance and robustness through a comprehensive suite of controlled perturbations, including input resampling, prompt paraphrasing, hyperparameter variation, and injected noise within the causal analysis itself. Across a diverse set of models and tasks, our results demonstrate that EAP-IG exhibits high structural variance and sensitivity to hyperparameters, questioning the stability of its findings. Based on these results, we offer a set of best-practice recommendations for the field, advocating for the routine reporting of stability metrics to promote a more rigorous and statistically grounded science of interpretability.


Are Time Series Foundation Models Susceptible to Catastrophic Forgetting?

arXiv.org Artificial Intelligence

Time Series Foundation Models (TSFMs) have shown promising zero-shot generalization across diverse forecasting tasks. However, their robustness to continual adaptation remains underexplored. In this work, we investigate the extent to which TSFMs suffer from catastrophic forgetting when fine-tuned sequentially on multiple datasets. Using synthetic datasets designed with varying degrees of periodic structure, we measure the trade-off between adaptation to new data and retention of prior knowledge. Our experiments reveal that, while fine-tuning improves performance on new tasks, it often causes significant degradation on previously learned ones, illustrating a fundamental stability-plasticity dilemma.