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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.


Evaluating Robot Program Performance with Power Consumption Driven Metrics in Lightweight Industrial Robots

arXiv.org Artificial Intelligence

The code performance of industrial robots is typically analyzed through CPU metrics, which overlook the physical impact of code on robot behavior. This study introduces a novel framework for assessing robot program performance from an embodiment perspective by analyzing the robot's electrical power profile. Our approach diverges from conventional CPU based evaluations and instead leverages a suite of normalized metrics, namely, the energy utilization coefficient, the energy conversion metric, and the reliability coefficient, to capture how efficiently and reliably energy is used during task execution. Complementing these metrics, the established robot wear metric provides further insight into long term reliability. Our approach is demonstrated through an experimental case study in machine tending, comparing four programs with diverse strategies using a UR5e robot. The proposed metrics directly compare and categorize different robot programs, regardless of the specific task, by linking code performance to its physical manifestation through power consumption patterns. Our results reveal the strengths and weaknesses of each strategy, offering actionable insights for optimizing robot programming practices. Enhancing energy efficiency and reliability through this embodiment centric approach not only improves individual robot performance but also supports broader industrial objectives such as sustainable manufacturing and cost reduction.


Low-Bit Data Processing Using Multiple-Output Spiking Neurons with Non-linear Reset Feedback

arXiv.org Artificial Intelligence

Neuromorphic computing is an emerging technology enabling low-latency and energy-efficient signal processing. A key algorithmic tool in neuromorphic computing is spiking neural networks (SNNs). SNNs are biologically inspired neural networks which utilize stateful neurons, and provide low-bit data processing by encoding and decoding information using spikes. Similar to SNNs, deep state-space models (SSMs) utilize stateful building blocks. However, deep SSMs, which recently achieved competitive performance in various temporal modeling tasks, are typically designed with high-precision activation functions and no reset mechanisms. To bridge the gains offered by SNNs and the recent deep SSM models, we propose a novel multiple-output spiking neuron model that combines a linear, general SSM state transition with a non-linear feedback mechanism through reset. Compared to the existing neuron models for SNNs, our proposed model clearly conceptualizes the differences between the spiking function, the reset condition and the reset action. The experimental results on various tasks, i.e., a keyword spotting task, an event-based vision task and a sequential pattern recognition task, show that our proposed model achieves performance comparable to existing benchmarks in the SNN literature. Our results illustrate how the proposed reset mechanism can overcome instability and enable learning even when the linear part of neuron dynamics is unstable, allowing us to go beyond the strictly enforced stability of linear dynamics in recent deep SSM models.


EcBot: Data-Driven Energy Consumption Open-Source MATLAB Library for Manipulators

arXiv.org Artificial Intelligence

Existing literature proposes models for estimating the electrical power of manipulators, yet two primary limitations prevail. First, most models are predominantly tested using traditional industrial robots. Second, these models often lack accuracy. To address these issues, we introduce an open source Matlab-based library designed to automatically generate \ac{ec} models for manipulators. The necessary inputs for the library are Denavit-Hartenberg parameters, link masses, and centers of mass. Additionally, our model is data-driven and requires real operational data, including joint positions, velocities, accelerations, electrical power, and corresponding timestamps. We validated our methodology by testing on four lightweight robots sourced from three distinct manufacturers: Universal Robots, Franka Emika, and Kinova. The model underwent testing, and the results demonstrated an RMSE ranging from 1.42 W to 2.80 W for the training dataset and from 1.45 W to 5.25 W for the testing dataset.


Enhancing the Scalability of Classical Surrogates for Real-World Quantum Machine Learning Applications

arXiv.org Artificial Intelligence

Quantum machine learning (QML) presents potential for early industrial adoption, yet limited access to quantum hardware remains a significant bottleneck for deployment of QML solutions. This work explores the use of classical surrogates to bypass this restriction, which is a technique that allows to build a lightweight classical representation of a (trained) quantum model, enabling to perform inference on entirely classical devices. We reveal prohibiting high computational demand associated with previously proposed methods for generating classical surrogates from quantum models, and propose an alternative pipeline enabling generation of classical surrogates at a larger scale than was previously possible. Previous methods required at least a high-performance computing (HPC) system for quantum models of below industrial scale (ca. 20 qubits), which raises questions about its practicality. We greatly minimize the redundancies of the previous approach, utilizing only a minute fraction of the resources previously needed. We demonstrate the effectiveness of our method on a real-world energy demand forecasting problem, conducting rigorous testing of performance and computation demand in both simulations and on quantum hardware. Our results indicate that our method achieves high accuracy on the testing dataset while its computational resource requirements scale linearly rather than exponentially. This work presents a lightweight approach to transform quantum solutions into classically deployable versions, facilitating faster integration of quantum technology in industrial settings. Furthermore, it can serve as a powerful research tool in search practical quantum advantage in an empirical setup.