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The use of cross validation in the analysis of designed experiments

arXiv.org Machine Learning

Cross-validation (CV) is a common method to tune machine learning methods and can be used for model selection in regression as well. Because of the structured nature of small, traditional experimental designs, the literature has warned against using CV in their analysis. The striking increase in the use of machine learning, and thus CV, in the analysis of experimental designs, has led us to empirically study the effectiveness of CV compared to other methods of selecting models in designed experiments, including the little bootstrap. We consider both response surface settings where prediction is of primary interest, as well as screening where factor selection is most important. Overall, we provide evidence that the use of leave-one-out cross-validation (LOOCV) in the analysis of small, structured is often useful. More general $k$-fold CV may also be competitive but its performance is uneven.


NeuroCoreX: An Open-Source FPGA-Based Spiking Neural Network Emulator with On-Chip Learning

arXiv.org Artificial Intelligence

--Spiking Neural Networks (SNNs) are computational models inspired by the structure and dynamics of biological neuronal networks. Their event-driven nature enables them to achieve high energy efficiency, particularly when deployed on neuromorphic hardware platforms. Unlike conventional Artificial Neural Networks (ANNs), which primarily rely on layered architectures, SNNs naturally support a wide range of connectivity patterns, from traditional layered structures to small-world graphs characterized by locally dense and globally sparse connections. In this work, we introduce NeuroCoreX, an FPGA-based emulator designed for the flexible co-design and testing of SNNs. NeuroCoreX supports all-to-all connectivity, providing the capability to implement diverse network topologies without architectural restrictions. It features a biologically motivated local learning mechanism based on Spike-Timing-Dependent Plasticity (STDP). The neuron model implemented within NeuroCoreX is the Leaky Integrate-and-Fire (LIF) model, with current-based synapses facilitating spike integration and transmission . A Universal Asynchronous Receiver-Transmitter (UART) interface is provided for programming and configuring the network parameters, including neuron, synapse, and learning rule settings. NeuroCoreX is released as an open-source framework, aiming to accelerate research and development in energy-efficient, biologically inspired computing. One of the primary goals of neuromorphic computing is to emulate the structure and dynamics of biological neuronal networks, achieving both brain-like energy efficiency and high computational accuracy.


Situational-Constrained Sequential Resources Allocation via Reinforcement Learning

arXiv.org Artificial Intelligence

Sequential Resource Allocation with situational constraints presents a significant challenge in real-world applications, where resource demands and priorities are context-dependent. This paper introduces a novel framework, SCRL, to address this problem. We formalize situational constraints as logic implications and develop a new algorithm that dynamically penalizes constraint violations. To handle situational constraints effectively, we propose a probabilistic selection mechanism to overcome limitations of traditional constraint reinforcement learning (CRL) approaches. We evaluate SCRL across two scenarios: medical resource allocation during a pandemic and pesticide distribution in agriculture. Experiments demonstrate that SCRL outperforms existing baselines in satisfying constraints while maintaining high resource efficiency, showcasing its potential for real-world, context-sensitive decision-making tasks.


Towards the Autonomous Optimization of Urban Logistics: Training Generative AI with Scientific Tools via Agentic Digital Twins and Model Context Protocol

arXiv.org Artificial Intelligence

Optimizing urban freight logistics is critical for developing sustainable, low-carbon cities. Traditional methods often rely on manual coordination of simulation tools, optimization solvers, and expert-driven workflows, limiting their efficiency and scalability. This paper presents an agentic system architecture that leverages the model context protocol (MCP) to orchestrate multi-agent collaboration among scientific tools for autonomous, simulation-informed optimization in urban logistics. The system integrates generative AI agents with domain-specific engines - such as Gurobi for optimization and AnyLogic for agent-based simulation - forming a generative digital twin capable of reasoning, planning, and acting across multimodal freight networks. By incorporating integrated chatbots, retrieval-augmented generation, and structured memory, the framework enables agents to interpret user intent from natural language conversations, retrieve relevant datasets and models, coordinate solvers and simulators, and execute complex workflows. We demonstrate this approach through a freight decarbonization case study, showcasing how MCP enables modular, interoperable, and adaptive agent behavior across diverse toolchains. The results reveal that our system transforms digital twins from static visualizations into autonomous, decision-capable systems, advancing the frontiers of urban operations research. By enabling context-aware, generative agents to operate scientific tools automatically and collaboratively, this framework supports more intelligent, accessible, and dynamic decision-making in transportation planning and smart city management.


Automated Construction of a Knowledge Graph of Nuclear Fusion Energy for Effective Elicitation and Retrieval of Information

arXiv.org Artificial Intelligence

In this document, we discuss a multi-step approach to automated construction of a knowledge graph, for structuring and representing domain-specific knowledge from large document corpora. We apply our method to build the first knowledge graph of nuclear fusion energy, a highly specialized field characterized by vast scope and heterogeneity. This is an ideal benchmark to test the key features of our pipeline, including automatic named entity recognition and entity resolution. We show how pre-trained large language models can be used to address these challenges and we evaluate their performance against Zipf's law, which characterizes human-generated natural language. Additionally, we develop a knowledge-graph retrieval-augmented generation system that combines large language models with a multi-prompt approach. This system provides contextually relevant answers to natural-language queries, including complex multi-hop questions that require reasoning across interconnected entities.


Analyzing Koopman approaches to physics-informed machine learning for long-term sea-surface temperature forecasting

arXiv.org Artificial Intelligence

Accurately predicting sea-surface temperature weeks to months into the future is an important step toward long term weather forecasting. Standard atmosphere-ocean coupled numerical models provide accurate sea-surface forecasts on the scale of a few days to a few weeks, but many important weather systems require greater foresight. In this paper we propose machine-learning approaches sea-surface temperature forecasting that are accurate on the scale of dozens of weeks. Our approach is based in Koopman operator theory, a useful tool for dynamical systems modelling. With this approach, we predict sea surface temperature in the Gulf of Mexico up to 180 days into the future based on a present image of thermal conditions and three years of historical training data. We evaluate the combination of a basic Koopman method with a convolutional autoencoder, and a newly proposed "consistent Koopman" method, in various permutations. We show that the Koopman approach consistently outperforms baselines, and we discuss the utility of our additional assumptions and methods in this sea-surface temperature domain.


Leveraging External Factors in Household-Level Electrical Consumption Forecasting using Hypernetworks

arXiv.org Artificial Intelligence

Accurate electrical consumption forecasting is crucial for efficient energy management and resource allocation. While traditional time series forecasting relies on historical patterns and temporal dependencies, incorporating external factors -- such as weather indicators -- has shown significant potential for improving prediction accuracy in complex real-world applications. However, the inclusion of these additional features often degrades the performance of global predictive models trained on entire populations, despite improving individual household-level models. To address this challenge, we found that a hypernetwork architecture can effectively leverage external factors to enhance the accuracy of global electrical consumption forecasting models, by specifically adjusting the model weights to each consumer. We collected a comprehensive dataset spanning two years, comprising consumption data from over 6000 luxembourgish households and corresponding external factors such as weather indicators, holidays, and major local events. By comparing various forecasting models, we demonstrate that a hypernetwork approach outperforms existing methods when associated to external factors, reducing forecasting errors and achieving the best accuracy while maintaining the benefits of a global model.


DepthSeg: Depth prompting in remote sensing semantic segmentation

arXiv.org Artificial Intelligence

Remote sensing semantic segmentation is crucial for extracting detailed land surface information, enabling applications such as environmental monitoring, land use planning, and resource assessment. In recent years, advancements in artificial intelligence have spurred the development of automatic remote sensing semantic segmentation methods. However, the existing semantic segmentation methods focus on distinguishing spectral characteristics of different objects while ignoring the differences in the elevation of the different targets. This results in land cover misclassification in complex scenarios involving shadow occlusion and spectral confusion. In this paper, we introduce a depth prompting two-dimensional (2D) remote sensing semantic segmentation framework (DepthSeg). It automatically models depth/height information from 2D remote sensing images and integrates it into the semantic segmentation framework to mitigate the effects of spectral confusion and shadow occlusion. During the feature extraction phase of DepthSeg, we introduce a lightweight adapter to enable cost-effective fine-tuning of the large-parameter vision transformer encoder pre-trained by natural images. In the depth prompting phase, we propose a depth prompter to model depth/height features explicitly. In the semantic prediction phase, we introduce a semantic classification decoder that couples the depth prompts with high-dimensional land-cover features, enabling accurate extraction of land-cover types. Experiments on the LiuZhou dataset validate the advantages of the DepthSeg framework in land cover mapping tasks. Detailed ablation studies further highlight the significance of the depth prompts in remote sensing semantic segmentation.


AgentSynth: Scalable Task Generation for Generalist Computer-Use Agents

arXiv.org Artificial Intelligence

We introduce AgentSynth, a scalable and cost-efficient pipeline for automatically synthesizing high-quality tasks and trajectory datasets for generalist computer-use agents. Leveraging information asymmetry, AgentSynth constructs subtasks that are simple during generation but significantly more challenging when composed into long-horizon tasks, enabling the creation of over 6,000 diverse and realistic tasks. Our pipeline begins with an LLM-based task proposer guided by a persona, followed by an execution agent that completes the task and logs the trajectory. This process is repeated iteratively to form a sequence of subtasks, which are then summarized by a separate agent into a composite task of controllable difficulty. A key strength of AgentSynth is its ability to precisely modulate task complexity by varying the number of subtasks. Empirical evaluations show that state-of-the-art LLM agents suffer a steep performance drop, from 18% success at difficulty level 1 to just 4% at level 6, highlighting the benchmark's difficulty and discriminative power. Moreover, our pipeline achieves a low average cost of \$0.60 per trajectory, orders of magnitude cheaper than human annotations. Our code and data are publicly available at https://github.com/sunblaze-ucb/AgentSynth


Making AI Less 'Thirsty'

Communications of the ACM

Artificial intelligence (AI) has enabled remarkable breakthroughs in numerous areas of critical importance, including tackling global challenges such as climate change. On the other hand, many AI models, especially large generative ones like GPT-4, are trained and deployed on energy-hungry servers in warehouse-scale datacenters, accelerating the datacenter energy consumption at an unprecedented rate.25 As a result, AI's carbon footprint has been undergoing scrutiny, driving the recent progress in AI carbon efficiency.24,31 However, AI's water footprint--many millions of liters of freshwater consumed for cooling the servers and for electricity generation--has largely remained under the radar and keeps escalating. If not properly addressed, AI's water footprint can potentially become a major roadblock to sustainability and create social conflicts, as freshwater resources suitable for human use are extremely limited and unevenly distributed.