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Symbolic Neural Generation with Applications to Lead Discovery in Drug Design

arXiv.org Artificial Intelligence

We investigate a relatively underexplored class of hybrid neurosymbolic models integrating symbolic learning with neural reasoning to construct data generators meeting formal correctness criteria. In \textit{Symbolic Neural Generators} (SNGs), symbolic learners examine logical specifications of feasible data from a small set of instances -- sometimes just one. Each specification in turn constrains the conditional information supplied to a neural-based generator, which rejects any instance violating the symbolic specification. Like other neurosymbolic approaches, SNG exploits the complementary strengths of symbolic and neural methods. The outcome of an SNG is a triple $(H, X, W)$, where $H$ is a symbolic description of feasible instances constructed from data, $X$ a set of generated new instances that satisfy the description, and $W$ an associated weight. We introduce a semantics for such systems, based on the construction of appropriate \textit{base} and \textit{fibre} partially-ordered sets combined into an overall partial order, and outline a probabilistic extension relevant to practical applications. In this extension, SNGs result from searching over a weighted partial ordering. We implement an SNG combining a restricted form of Inductive Logic Programming (ILP) with a large language model (LLM) and evaluate it on early-stage drug design. Our main interest is the description and the set of potential inhibitor molecules generated by the SNG. On benchmark problems -- where drug targets are well understood -- SNG performance is statistically comparable to state-of-the-art methods. On exploratory problems with poorly understood targets, generated molecules exhibit binding affinities on par with leading clinical candidates. Experts further find the symbolic specifications useful as preliminary filters, with several generated molecules identified as viable for synthesis and wet-lab testing.


ZeroFlood: A Geospatial Foundation Model for Data-Efficient Flood Susceptibility Mapping

arXiv.org Artificial Intelligence

Flood susceptibility mapping (FSM) is vital for disaster prevention but remains challenging in data-scarce regions where hydrodynamic models require dense geophysical inputs. This work introduces ZeroFlood, a geospatial foundation model framework for data-efficient FSM. The approach fine-tunes Geospatial Foundation Models (GFMs) with Thinking-in-Modality (TiM) reasoning, enabling flood prediction from basic Earth observation data such as Sentinel-1 or Sentinel-2 imagery. Using paired EO and simulated flood maps from data-rich regions, ZeroFlood bridges data availability gaps through cross-modal representation learning. Experiments with TerraMind and Prithvi GFMs show that TiM enhances model robustness, with the TerraMind-Large configuration achieving an F1 score of 67.21. The results demonstrate the feasibility of foundation-model-based FSM as a scalable and data-efficient solution for flood risk management.


How AI Forecasts AI Jobs: Benchmarking LLM Predictions of Labor Market Changes

arXiv.org Artificial Intelligence

Artificial intelligence is reshaping labor markets, yet we lack tools to systematically forecast its effects on employment. This paper introduces a benchmark for evaluating how well large language models (LLMs) can anticipate changes in job demand, especially in occupations affected by AI. Existing research has shown that LLMs can extract sentiment, summarize economic reports, and emulate forecaster behavior, but little work has assessed their use for forward-looking labor prediction. Our benchmark combines two complementary datasets: a high-frequency index of sector-level job postings in the United States, and a global dataset of projected occupational changes due to AI adoption. We format these data into forecasting tasks with clear temporal splits, minimizing the risk of information leakage. We then evaluate LLMs using multiple prompting strategies, comparing task-scaffolded, persona-driven, and hybrid approaches across model families. We assess both quantitative accuracy and qualitative consistency over time. Results show that structured task prompts consistently improve forecast stability, while persona prompts offer advantages on short-term trends. However, performance varies significantly across sectors and horizons, highlighting the need for domain-aware prompting and rigorous evaluation protocols. By releasing our benchmark, we aim to support future research on labor forecasting, prompt design, and LLM-based economic reasoning. This work contributes to a growing body of research on how LLMs interact with real-world economic data, and provides a reproducible testbed for studying the limits and opportunities of AI as a forecasting tool in the context of labor markets.


Large language model-based task planning for service robots: A review

arXiv.org Artificial Intelligence

With the rapid advancement of large language models (LLMs) and robotics, service robots are increasingly becoming an integral part of daily life, offering a wide range of services in complex environments. To deliver these services intelligently and efficiently, robust and accurate task planning capabilities are essential. This paper presents a comprehensive overview of the integration of LLMs into service robotics, with a particular focus on their role in enhancing robotic task planning. First, the development and foundational techniques of LLMs, including pre-training, fine-tuning, retrieval-augmented generation (RAG), and prompt engineering, are reviewed. We then explore the application of LLMs as the cognitive core-`brain'-of service robots, discussing how LLMs contribute to improved autonomy and decision-making. Furthermore, recent advancements in LLM-driven task planning across various input modalities are analyzed, including text, visual, audio, and multimodal inputs. Finally, we summarize key challenges and limitations in current research and propose future directions to advance the task planning capabilities of service robots in complex, unstructured domestic environments. This review aims to serve as a valuable reference for researchers and practitioners in the fields of artificial intelligence and robotics.


LightKGG: Simple and Efficient Knowledge Graph Generation from Textual Data

arXiv.org Artificial Intelligence

The scarcity of high-quality knowledge graphs (KGs) remains a critical bottleneck for downstream AI applications, as existing extraction methods rely heavily on error-prone pattern-matching techniques or resource-intensive large language models (LLMs). While recent tools leverage LLMs to generate KGs, their computational demands limit accessibility for low-resource environments. Our paper introduces LightKGG, a novel framework that enables efficient KG extraction from textual data using small-scale language models (SLMs) through two key technical innovations: (1) Context-integrated Graph extraction integrates contextual information with nodes and edges into a unified graph structure, reducing the reliance on complex semantic processing while maintaining more key information; (2) Topology-enhanced relationship inference leverages the inherent topology of the extracted graph to efficiently infer relationships, enabling relationship discovery without relying on complex language understanding capabilities of LLMs. By enabling accurate KG construction with minimal hardware requirements, this work bridges the gap between automated knowledge extraction and practical deployment scenarios while introducing scientifically rigorous methods for optimizing SLM efficiency in structured NLP tasks.


BaZi-Based Character Simulation Benchmark: Evaluating AI on Temporal and Persona Reasoning

arXiv.org Artificial Intelligence

Human-like virtual characters are crucial for games, storytelling, and virtual reality, yet current methods rely heavily on annotated data or handcrafted persona prompts, making it difficult to scale up and generate realistic, contextually coherent personas. We create the first QA dataset for BaZi-based persona reasoning, where real human experiences categorized into wealth, health, kinship, career, and relationships are represented as life-event questions and answers. Furthermore, we propose the first BaZi-LLM system that integrates symbolic reasoning with large language models to generate temporally dynamic and fine-grained virtual personas. Compared with mainstream LLMs such as DeepSeek-v3 and GPT-5-mini, our method achieves a 30.3%-62.6% accuracy improvement. In addition, when incorrect BaZi information is used, our model's accuracy drops by 20%-45%, showing the potential of culturally grounded symbolic-LLM integration for realistic character simulation.


Adaptive Blockwise Search: Inference-Time Alignment for Large Language Models

arXiv.org Artificial Intelligence

LLM alignment remains a critical challenge. Inference-time methods provide a flexible alternative to fine-tuning, but their uniform computational effort often yields suboptimal alignment. We hypothesize that for many alignment tasks, the initial tokens of a response are disproportionately more critical. To leverage this principle, we introduce AdaSearch, a novel blockwise search strategy. It adaptively allocates a fixed computational budget using a sampling schedule, focusing search effort on these critical tokens. We apply AdaSearch to sequential decoding and introduce its tree-search counterpart, AdaBeam. Our comprehensive evaluation across eight LLMs demonstrates that AdaSearch outperforms strong Best-of-N and fine-tuning baselines. Specifically, win-rates improve by over 10% for harmlessness generation, controlled sentiment generation, and for mathematical reasoning tasks relative to Best-of-N.


Transferable Deep Reinforcement Learning for Cross-Domain Navigation: from Farmland to the Moon

arXiv.org Artificial Intelligence

Autonomous navigation in unstructured environments is essential for field and planetary robotics, where robots must efficiently reach goals while avoiding obstacles under uncertain conditions. Conventional algorithmic approaches often require extensive environment-specific tuning, limiting scalability to new domains. Deep Reinforcement Learning (DRL) provides a data-driven alternative, allowing robots to acquire navigation strategies through direct interactions with their environment. This work investigates the feasibility of DRL policy generalization across visually and topographically distinct simulated domains, where policies are trained in terrestrial settings and validated in a zero-shot manner in extraterrestrial environments. A 3D simulation of an agricultural rover is developed and trained using Proximal Policy Optimization (PPO) to achieve goal-directed navigation and obstacle avoidance in farmland settings. The learned policy is then evaluated in a lunar-like simulated environment to assess transfer performance. The results indicate that policies trained under terrestrial conditions retain a high level of effectiveness, achieving close to 50\% success in lunar simulations without the need for additional training and fine-tuning. This underscores the potential of cross-domain DRL-based policy transfer as a promising approach to developing adaptable and efficient autonomous navigation for future planetary exploration missions, with the added benefit of minimizing retraining costs.


GRAD: Real-Time Gated Recurrent Anomaly Detection in Autonomous Vehicle Sensors Using Reinforced EMA and Multi-Stage Sliding Window Techniques

arXiv.org Artificial Intelligence

This paper introduces GRAD, a real-time anomaly detection method for autonomous vehicle sensors that integrates statistical analysis and deep learning to ensure the reliability of sensor data. The proposed approach combines the Reinforced Exponential Moving Average (REMA), which adapts smoothing factors and thresholding for outlier detection, with the Multi-Stage Sliding Window (MS-SW) technique for capturing both short- and long-term patterns. These features are processed using a lightweight Gated Recurrent Unit (GRU) model, which detects and classifies anomalies based on bias types, while a recovery module restores damaged sensor data to ensure continuous system operation. GRAD has a lightweight architecture consisting of two layers of GRU with a limited number of neurons that make it appropriate for real-time applications while maintaining high detection accuracy. The GRAD framework achieved remarkable performance in anomaly detection and classification. The model demonstrated an overall F1-score of 97.6% for abnormal data and 99.4% for normal data, signifying its high accuracy in distinguishing between normal and anomalous sensor data. Regarding the anomaly classification, GRAD successfully categorized different anomaly types with high precision, enabling the recovery module to accurately restore damaged sensor data. Relative to analogous studies, GRAD surpasses current models by attaining a balance between elevated detection accuracy and diminished computational expense. These results demonstrate GRAD's potential as a reliable and efficient solution for real-time anomaly detection in autonomous vehicle systems, guaranteeing safe vehicle operation with minimal computational overhead.


Multitask Multimodal Self-Supervised Learning for Medical Images

arXiv.org Artificial Intelligence

This thesis works to address a pivotal challenge in medical image analysis: the reliance on extensive labeled datasets, which are often limited due to the need for expert annotation and constrained by privacy and legal issues. By focusing on the development of self-supervised learning techniques and domain adaptation methods, this research aims to circumvent these limitations, presenting a novel approach to enhance the utility and efficacy of deep learning in medical imaging. Central to this thesis is the development of the Medformer, an innovative neural network architecture designed for multitask learning and deep domain adaptation. This model is adept at pre-training on diverse medical image datasets, handling varying sizes and modalities, and is equipped with a dynamic input-output adaptation mechanism. This enables efficient processing and integration of a wide range of medical image types, from 2D X-rays to complex 3D MRIs, thus mitigating the dependency on large labeled datasets. Further, the thesis explores the current state of self-supervised learning in medical imaging. It introduces novel pretext tasks that are capable of extracting meaningful information from unlabeled data, significantly advancing the model's interpretative abilities. This approach is validated through rigorous experimentation, including the use of the MedMNIST dataset, demonstrating the model's proficiency in learning generalized features applicable to various downstream tasks. In summary, this thesis contributes to the advancement of medical image analysis by offering a scalable, adaptable framework that reduces reliance on labeled data. It paves the way for more accurate, efficient diagnostic tools in healthcare, signifying a major step forward in the application of deep learning in medical imaging.