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Can Multitask Learning Enhance Model Explainability?

arXiv.org Artificial Intelligence

Remote sensing provides satellite data in diverse types and formats. The usage of multimodal learning networks exploits this diversity to improve model performance, except that the complexity of such networks comes at the expense of their interpretability. In this study, we explore how modalities can be leveraged through multitask learning to intrinsically explain model behavior. In particular, instead of additional inputs, we use certain modalities as additional targets to be predicted along with the main task. The success of this approach relies on the rich information content of satellite data, which remains as input modalities. We show how this modeling context provides numerous benefits: (1) in case of data scarcity, the additional modalities do not need to be collected for model inference at deployment, (2) the model performance remains comparable to the multimodal baseline performance, and in some cases achieves better scores, (3) prediction errors in the main task can be explained via the model behavior in the auxiliary task(s). We demonstrate the efficiency of our approach on three datasets, including segmentation, classification, and regression tasks.


When Prompt Engineering Meets Software Engineering: CNL-P as Natural and Robust "APIs'' for Human-AI Interaction

arXiv.org Artificial Intelligence

With the growing capabilities of large language models (LLMs), they are increasingly applied in areas like intelligent customer service, code generation, and knowledge management. Natural language (NL) prompts act as the ``APIs'' for human-LLM interaction. To improve prompt quality, best practices for prompt engineering (PE) have been developed, including writing guidelines and templates. Building on this, we propose Controlled NL for Prompt (CNL-P), which not only incorporates PE best practices but also draws on key principles from software engineering (SE). CNL-P introduces precise grammar structures and strict semantic norms, further eliminating NL's ambiguity, allowing for a declarative but structured and accurate expression of user intent. This helps LLMs better interpret and execute the prompts, leading to more consistent and higher-quality outputs. We also introduce an NL2CNL-P conversion tool based on LLMs, enabling users to write prompts in NL, which are then transformed into CNL-P format, thus lowering the learning curve of CNL-P. In particular, we develop a linting tool that checks CNL-P prompts for syntactic and semantic accuracy, applying static analysis techniques to NL for the first time. Extensive experiments demonstrate that CNL-P enhances the quality of LLM responses through the novel and organic synergy of PE and SE. We believe that CNL-P can bridge the gap between emerging PE and traditional SE, laying the foundation for a new programming paradigm centered around NL.


QuiZSF: An efficient data-model interaction framework for zero-shot time-series forecasting

arXiv.org Artificial Intelligence

Time series forecasting has become increasingly important to empower diverse applications with streaming data. Zero-shot time-series forecasting (ZSF), particularly valuable in data-scarce scenarios, such as domain transfer or forecasting under extreme conditions, is difficult for traditional models to deal with. While time series pre-trained models (TSPMs) have demonstrated strong performance in ZSF, they often lack mechanisms to dynamically incorporate external knowledge. Fortunately, emerging retrieval-augmented generation (RAG) offers a promising path for injecting such knowledge on demand, yet they are rarely integrated with TSPMs. To leverage the strengths of both worlds, we introduce RAG into TSPMs to enhance zero-shot time series forecasting. In this paper, we propose QuiZSF (Quick Zero-Shot Time Series Forecaster), a lightweight and modular framework that couples efficient retrieval with representation learning and model adaptation for ZSF. Specifically, we construct a hierarchical tree-structured ChronoRAG Base (CRB) for scalable time-series storage and domain-aware retrieval, introduce a Multi-grained Series Interaction Learner (MSIL) to extract fine- and coarse-grained relational features, and develop a dual-branch Model Cooperation Coherer (MCC) that aligns retrieved knowledge with two kinds of TSPMs: Non-LLM based and LLM based. Compared with contemporary baselines, QuiZSF, with Non-LLM based and LLM based TSPMs as base model, respectively, ranks Top1 in 75% and 87.5% of prediction settings, while maintaining high efficiency in memory and inference time.


Role of Large Language Models and Retrieval-Augmented Generation for Accelerating Crystalline Material Discovery: A Systematic Review

arXiv.org Artificial Intelligence

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires several time and cost expensive simulations and experiments. In order to tune down the uncharted material search space, minimizing the experimental cost, LLMs can play a bigger role to first provide an accelerated search of promising known material candidates. Furthermore, the integration of LLMs with domain-specific information via retrieval-augmented generation (RAG) is poised to revolutionize how researchers predict materials structures, analyze defects, discover novel compounds, and extract knowledge from literature and databases. In motivation to the potentials of LLMs and RAG in accelerating material discovery, this paper presents a broad and systematic review to examine the recent advancements in applying LLMs and RAG to key materials science problems. We survey state-of-the-art developments in crystal structure prediction, defect analysis, materials discovery, literature mining, database integration, and multi-modal retrieval, highlighting how combining LLMs with external knowledge sources enables new capabilities. We discuss the performance, limitations, and implications of these approaches, and outline future directions for leveraging LLMs to accelerate materials research and discovery for advancement in technologies in the area of electronics, optics, biomedical, and energy storage.


Operationalizing Serendipity: Multi-Agent AI Workflows for Enhanced Materials Characterization with Theory-in-the-Loop

arXiv.org Artificial Intelligence

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.


Recommendation with Generative Models

arXiv.org Artificial Intelligence

Generative models are a class of AI models capable of creating new instances of data by learning and sampling from their statistical distributions. In recent years, these models have gained prominence in machine learning due to the development of approaches such as generative adversarial networks (GANs), variational autoencoders (VAEs), and transformer-based architectures such as GPT. These models have applications across various domains, such as image generation, text synthesis, and music composition. In recommender systems, generative models, referred to as Gen-RecSys, improve the accuracy and diversity of recommendations by generating structured outputs, text-based interactions, and multimedia content. By leveraging these capabilities, Gen-RecSys can produce more personalized, engaging, and dynamic user experiences, expanding the role of AI in eCommerce, media, and beyond. Our book goes beyond existing literature by offering a comprehensive understanding of generative models and their applications, with a special focus on deep generative models (DGMs) and their classification. We introduce a taxonomy that categorizes DGMs into three types: ID-driven models, large language models (LLMs), and multimodal models. Each category addresses unique technical and architectural advancements within its respective research area. This taxonomy allows researchers to easily navigate developments in Gen-RecSys across domains such as conversational AI and multimodal content generation. Additionally, we examine the impact and potential risks of generative models, emphasizing the importance of robust evaluation frameworks.



Post-training for Efficient Communication via Convention Formation

arXiv.org Artificial Intelligence

Humans communicate with increasing efficiency in multi-turn interactions, by adapting their language and forming ad-hoc conventions. In contrast, prior work shows that LLMs do not naturally show this behavior. We develop a post-training process to develop this ability through targeted fine-tuning on heuristically identified demonstrations of convention formation. We evaluate with two new benchmarks focused on this capability. First, we design a focused, cognitively-motivated interaction benchmark that consistently elicits strong convention formation trends in humans. Second, we create a new document-grounded reference completion task that reflects in-the-wild convention formation behavior. Our studies show significantly improved convention formation abilities in post-trained LLMs across the two evaluation methods.


Dimensional Characterization and Pathway Modeling for Catastrophic AI Risks

arXiv.org Artificial Intelligence

Although discourse around the risks of Artificial Intelligence (AI) has grown, it often lacks a comprehensive, multidimensional framework, and concrete causal pathways mapping hazard to harm. This paper aims to bridge this gap by examining six commonly discussed AI catastrophic risks: CBRN, cyber offense, sudden loss of control, gradual loss of control, environmental risk, and geopolitical risk. First, we characterize these risks across seven key dimensions, namely intent, competency, entity, polarity, linearity, reach, and order. Next, we conduct risk pathway modeling by mapping step-by-step progressions from the initial hazard to the resulting harms. The dimensional approach supports systematic risk identification and generalizable mitigation strategies, while risk pathway models help identify scenario-specific interventions. Together, these methods offer a more structured and actionable foundation for managing catastrophic AI risks across the value chain.


Geometric-k-means: A Bound Free Approach to Fast and Eco-Friendly k-means

arXiv.org Artificial Intelligence

This paper introduces Geometric-k-means (or Gk-means for short), a novel approach that significantly enhances the efficiency and energy economy of the widely utilized k-means algorithm, which, despite its inception over five decades ago, remains a cornerstone in machine learning applications. The essence of Gk-means lies in its active utilization of geometric principles, specifically scalar projection, to significantly accelerate the algorithm without sacrificing solution quality. This geometric strategy enables a more discerning focus on data points that are most likely to influence cluster updates, which we call as high expressive data (HE). In contrast, low expressive data (LE), does not impact clustering outcome, is effectively bypassed, leading to considerable reductions in computational overhead. Experiments spanning synthetic, real-world and high-dimensional datasets, demonstrate Gk-means is significantly better than traditional and state of the art (SOTA) k-means variants in runtime and distance computations (DC). Moreover, Gk-means exhibits better resource efficiency, as evidenced by its reduced energy footprint, placing it as more sustainable alternative.