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 Deep Learning


How Wide and How Deep? Mitigating Over-Squashing of GNNs via Channel Capacity Constrained Estimation

arXiv.org Artificial Intelligence

Existing graph neural networks typically rely on heuristic choices for hidden dimensions and propagation depths, which often lead to severe information loss during propagation, known as over-squashing. To address this issue, we propose Channel Capacity Constrained Estimation (C3E), a novel framework that formulates the selection of hidden dimensions and depth as a nonlinear programming problem grounded in information theory. Through modeling spectral graph neural networks as communication channels, our approach directly connects channel capacity to hidden dimensions, propagation depth, propagation mechanism, and graph structure. Extensive experiments on nine public datasets demonstrate that hidden dimensions and depths estimated by C3E can mitigate over-squashing and consistently improve representation learning. Experimental results show that over-squashing occurs due to the cumulative compression of information in representation matrices. Furthermore, our findings show that increasing hidden dimensions indeed mitigate information compression, while the role of propagation depth is more nuanced, uncovering a fundamental balance between information compression and representation complexity.


Towards Resource-Efficient Multimodal Intelligence: Learned Routing among Specialized Expert Models

arXiv.org Artificial Intelligence

As AI moves beyond text, large language models (LLMs) increasingly power vision, audio, and document understanding; however, their high inference costs hinder real-time, scalable deployment. Conversely, smaller open-source models offer cost advantages but struggle with complex or multimodal queries. We introduce a unified, modular framework that intelligently routes each query - textual, multimodal, or complex - to the most fitting expert model, using a learned routing network that balances cost and quality. For vision tasks, we employ a two-stage open-source pipeline optimized for efficiency and reviving efficient classical vision components where they remain SOTA for sub-tasks. On benchmarks such as Massive Multitask Language Understanding (MMLU) and Visual Question Answering (VQA), we match or exceed the performance of always-premium LLM (monolithic systems with one model serving all query types) performance, yet reduce the reliance on costly models by over 67%. With its extensible, multi-agent orchestration, we deliver high-quality, resource-efficient AI at scale.


Optimizing Chain-of-Thought Confidence via Topological and Dirichlet Risk Analysis

arXiv.org Artificial Intelligence

Chain-of-thought (CoT) prompting enables Large Language Models to solve complex problems, but deploying these models safely requires reliable confidence estimates, a capability where existing methods suffer from poor calibration and severe overconfidence on incorrect predictions. We propose Enhanced Dirichlet and Topology Risk (EDTR), a novel decoding strategy that combines topological analysis with Dirichlet-based uncertainty quantification to measure LLM confidence across multiple reasoning paths. EDTR treats each CoT as a vector in high-dimensional space and extracts eight topological risk features capturing the geometric structure of reasoning distributions: tighter, more coherent clusters indicate higher confidence while dispersed, inconsistent paths signal uncertainty. We evaluate EDTR against three state-of-the-art calibration methods across four diverse reasoning benchmarks spanning olympiad-level mathematics (AIME), grade school math (GSM8K), commonsense reasoning, and stock price prediction \cite{zhang2025aime, cobbe2021training, talmor-etal-2019-commonsenseqa, yahoo_finance}. EDTR achieves 41\% better calibration than competing methods with an average ECE of 0.287 and the best overall composite score of 0.672, while notably achieving perfect accuracy on AIME and exceptional calibration on GSM8K with an ECE of 0.107, domains where baselines exhibit severe overconfidence. Our work provides a geometric framework for understanding and quantifying uncertainty in multi-step LLM reasoning, enabling more reliable deployment where calibrated confidence estimates are essential.


CG-TTRL: Context-Guided Test-Time Reinforcement Learning for On-Device Large Language Models

arXiv.org Artificial Intelligence

Test-time Reinforcement Learning (TTRL) has shown promise in adapting foundation models for complex tasks at test-time, resulting in large performance improvements. TTRL leverages an elegant two-phase sampling strategy: first, multi-sampling derives a pseudo-label via majority voting, while subsequent downsam-pling and reward-based fine-tuning encourages the model to explore and learn diverse valid solutions, with the pseudo-label modulating the reward signal. Meanwhile, in-context learning has been widely explored at inference time and demonstrated the ability to enhance model performance without weight updates. However, TTRL's two-phase sampling strategy under-utilizes contextual guidance, which can potentially improve pseudo-label accuracy in the initial exploitation phase while regulating exploration in the second. To address this, we propose context-guided TTRL (CG-TTRL), integrating context dynamically into both sampling phases and propose a method for efficient context selection for on-device applications. Our evaluations on mathematical and scientific QA benchmarks show CG-TTRL outperforms TTRL (e.g.


Walking the Tightrope of LLMs for Software Development: A Practitioners' Perspective

arXiv.org Artificial Intelligence

Background: Large Language Models emerged with the potential of provoking a revolution in software development (e.g., automating processes, workforce transformation). Although studies have started to investigate the perceived impact of LLMs for software development, there is a need for empirical studies to comprehend how to balance forward and backward effects of using LLMs. Objective: We investigated how LLMs impact software development and how to manage the impact from a software developer's perspective. Method: We conducted 22 interviews with software practitioners across 3 rounds of data collection and analysis, between October (2024) and September (2025). We employed socio-technical grounded theory (STGT) for data analysis to rigorously analyse interview participants' responses. Results: We identified the benefits (e.g., maintain software development flow, improve developers' mental model, and foster entrepreneurship) and disadvantages (e.g., negative impact on developers' personality and damage to developers' reputation) of using LLMs at individual, team, organisation, and society levels; as well as best practices on how to adopt LLMs. Conclusion: Critically, we present the trade-offs that software practitioners, teams, and organisations face in working with LLMs. Our findings are particularly useful for software team leaders and IT managers to assess the viability of LLMs within their specific context.


Dutch Metaphor Extraction from Cancer Patients' Interviews and Forum Data using LLMs and Human in the Loop

arXiv.org Artificial Intelligence

Metaphors and metaphorical language (MLs) play an important role in healthcare communication between clinicians, patients, and patients' family members. In this work, we focus on Dutch language data from cancer patients. We extract metaphors used by patients using two data sources: (1) cancer patient storytelling interview data and (2) online forum data, including patients' posts, comments, and questions to professionals. We investigate how current state-of-the-art large language models (LLMs) perform on this task by exploring different prompting strategies such as chain of thought reasoning, few-shot learning, and self-prompting. With a human-in-the-loop setup, we verify the extracted metaphors and compile the outputs into a corpus named HealthQuote.NL. We believe the extracted metaphors can support better patient care, for example shared decision making, improved communication between patients and clinicians, and enhanced patient health literacy. They can also inform the design of personalized care pathways. We share prompts and related resources at https://github.com/aaronlifenghan/HealthQuote.NL


MONICA: Real-Time Monitoring and Calibration of Chain-of-Thought Sycophancy in Large Reasoning Models

arXiv.org Artificial Intelligence

Large Reasoning Models (LRMs) suffer from sycophantic behavior, where models tend to agree with users' incorrect beliefs and follow misinformation rather than maintain independent reasoning. This behavior undermines model reliability and poses societal risks. Mitigating LRM sycophancy requires monitoring how this sycophancy emerges during the reasoning trajectory; however, current methods mainly focus on judging based on final answers and correcting them, without understanding how sycophancy develops during reasoning processes. To address this limitation, we propose MONICA, a novel Monitor-guided Calibration framework that monitors and mitigates sycophancy during model inference at the level of reasoning steps, without requiring the model to finish generating its complete answer. MONICA integrates a sycophantic monitor that provides real-time monitoring of sycophantic drift scores during response generation with a calibrator that dynamically suppresses sycophantic behavior when scores exceed predefined thresholds. Extensive experiments across 12 datasets and 3 LRMs demonstrate that our method effectively reduces sycophantic behavior in both intermediate reasoning steps and final answers, yielding robust performance improvements.


How Well Do LLMs Understand Drug Mechanisms? A Knowledge + Reasoning Evaluation Dataset

arXiv.org Artificial Intelligence

Two scientific fields showing increasing interest in pre-trained large language models (LLMs) are drug development / repurposing, and personalized medicine. For both, LLMs have to demonstrate factual knowledge as well as a deep understanding of drug mechanisms, so they can recall and reason about relevant knowledge in novel situations. Drug mechanisms of action are described as a series of interactions between biomedical entities, which interlink into one or more chains directed from the drug to the targeted disease. Composing the effects of the interactions in a candidate chain leads to an inference about whether the drug might be useful or not for that disease. We introduce a dataset that evaluates LLMs on both factual knowledge of known mechanisms, and their ability to reason about them under novel situations, presented as counterfactuals that the models are unlikely to have seen during training. Using this dataset, we show that o4-mini outperforms the 4o, o3, and o3-mini models from OpenAI, and the recent small Qwen3-4B-thinking model closely matches o4-mini's performance, even outperforming it in some cases. We demonstrate that the open world setting for reasoning tasks, which requires the model to recall relevant knowledge, is more challenging than the closed world setting where the needed factual knowledge is provided. We also show that counterfactuals affecting internal links in the reasoning chain present a much harder task than those affecting a link from the drug mentioned in the prompt.


Efficient LLM Safety Evaluation through Multi-Agent Debate

arXiv.org Artificial Intelligence

Safety evaluation of large language models (LLMs) increasingly relies on LLM-as-a-Judge frameworks, but the high cost of frontier models limits scalability. We propose a cost-efficient multi-agent judging framework that employs Small Language Models (SLMs) through structured debates among critic, defender, and judge agents. To rigorously assess safety judgments, we construct HAJailBench, a large-scale human-annotated jailbreak benchmark comprising 12,000 adversarial interactions across diverse attack methods and target models. The dataset provides fine-grained, expert-labeled ground truth for evaluating both safety robustness and judge reliability. Our SLM-based framework achieves agreement comparable to GPT-4o judges on HAJailBench while substantially reducing inference cost. Ablation results show that three rounds of debate yield the optimal balance between accuracy and efficiency. These findings demonstrate that structured, value-aligned debate enables SLMs to capture semantic nuances of jailbreak attacks and that HAJailBench offers a reliable foundation for scalable LLM safety evaluation.


What Makes Reasoning Invalid: Echo Reflection Mitigation for Large Language Models

arXiv.org Artificial Intelligence

Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of reasoning tasks. Recent methods have further improved LLM performance in complex mathematical reasoning. However, when extending these methods beyond the domain of mathematical reasoning to tasks involving complex domain-specific knowledge, we observe a consistent failure of LLMs to generate novel insights during the reflection stage. Instead of conducting genuine cognitive refinement, the model tends to mechanically reiterate earlier reasoning steps without introducing new information or perspectives, a phenomenon referred to as "Echo Reflection". We attribute this behavior to two key defects: (1) Uncontrollable information flow during response generation, which allows premature intermediate thoughts to propagate unchecked and distort final decisions; (2) Insufficient exploration of internal knowledge during reflection, leading to repeating earlier findings rather than generating new cognitive insights. Building on these findings, we proposed a novel reinforcement learning method termed Adaptive Entropy Policy Optimization (AEPO). Specifically, the AEPO framework consists of two major components: (1) Reflection-aware Information Filtration, which quantifies the cognitive information flow and prevents the final answer from being affected by earlier bad cognitive information; (2) Adaptive-Entropy Optimization, which dynamically balances exploration and exploitation across different reasoning stages, promoting both reflective diversity and answer correctness. Extensive experiments demonstrate that AEPO consistently achieves state-of-the-art performance over mainstream reinforcement learning baselines across diverse benchmarks.