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PKG-DPO: Optimizing Domain-Specific AI systems with Physics Knowledge Graphs and Direct Preference Optimization

arXiv.org Artificial Intelligence

Advancing AI systems in scientific domains like physics, materials science, and engineering calls for reasoning over complex, multi-physics phenomena while respecting governing principles. Although Large Language Models (LLMs) and existing preference optimization techniques perform well on standard benchmarks, they often struggle to differentiate between physically valid and invalid reasoning. This shortcoming becomes critical in high-stakes applications like metal joining, where seemingly plausible yet physically incorrect recommendations can lead to defects, material waste, equipment damage, and serious safety risks. To address this challenge, we introduce PKG-DPO, a novel framework that integrates Physics Knowledge Graphs (PKGs) with Direct Preference Optimization (DPO) to enforce physical validity in AI-generated outputs. PKG-DPO comprises three key components A) hierarchical physics knowledge graph that encodes cross-domain relationships, conservation laws, and thermodynamic principles. B) A physics reasoning engine that leverages structured knowledge to improve discrimination between physically consistent and inconsistent responses. C) A physics-grounded evaluation suite designed to assess compliance with domain-specific constraints. PKG-DPO achieves 17% fewer constraint violations and an 11% higher Physics Score compared to KG-DPO (knowledge graph-based DPO). Additionally, PKG-DPO demonstrates a 12\% higher relevant parameter accuracy and a 7% higher quality alignment in reasoning accuracy. While our primary focus is on metal joining, the framework is broadly applicable to other multi-scale, physics-driven domains, offering a principled approach to embedding scientific constraints into preference learning.


Uni-AIMS: AI-Powered Microscopy Image Analysis

arXiv.org Artificial Intelligence

This paper presents a systematic solution for the intelligent recognition and automatic analysis of microscopy images. We developed a data engine that generates high-quality annotated datasets through a combination of the collection of diverse microscopy images from experiments, synthetic data generation and a human-in-the-loop annotation process. To address the unique challenges of microscopy images, we propose a segmentation model capable of robustly detecting both small and large objects. The model effectively identifies and separates thousands of closely situated targets, even in cluttered visual environments. Furthermore, our solution supports the precise automatic recognition of image scale bars, an essential feature in quantitative microscopic analysis. Building upon these components, we have constructed a comprehensive intelligent analysis platform and validated its effectiveness and practicality in real-world applications. This study not only advances automatic recognition in microscopy imaging but also ensures scalability and generalizability across multiple application domains, offering a powerful tool for automated microscopic analysis in interdisciplinary research. A online application is made available for researchers to access and evaluate the proposed automated analysis service.


Explainable Prediction of the Mechanical Properties of Composites with CNNs

arXiv.org Artificial Intelligence

Composites are amongst the most important materials manufactured today, as evidenced by their use in countless applications. In order to establish the suitability of composites in specific applications, finite element (FE) modelling, a numerical method based on partial differential equations, is the industry standard for assessing their mechanical properties. However, FE modelling is exceptionally costly from a computational viewpoint, a limitation which has led to efforts towards applying AI models to this task. However, in these approaches: the chosen model architectures were rudimentary, feed-forward neural networks giving limited accuracy; the studies focused on predicting elastic mechanical properties, without considering material strength limits; and the models lacked transparency, hindering trustworthiness by users. In this paper, we show that convolutional neural networks (CNNs) equipped with methods from explainable AI (XAI) can be successfully deployed to solve this problem. Our approach uses customised CNNs trained on a dataset we generate using transverse tension tests in FE modelling to predict composites' mechanical properties, i.e., Y oung's modulus and yield strength. We show empirically that our approach achieves high accuracy, outperforming a baseline, ResNet-34, in estimating the mechanical properties. We then use SHAP and Integrated Gradients, two post-hoc XAI methods, to explain the predictions, showing that the CNNs use the critical geometrical features that influence the composites' behaviour, thus allowing engineers to verify that the models are trustworthy by representing the science of composites.


DSADF: Thinking Fast and Slow for Decision Making

arXiv.org Artificial Intelligence

Although Reinforcement Learning (RL) agents are effective in well-defined environments, they often struggle to generalize their learned policies to dynamic settings due to their reliance on trial-and-error interactions. Recent work has explored applying Large Language Models (LLMs) or Vision Language Models (VLMs) to boost the generalization of RL agents through policy optimization guidance or prior knowledge. However, these approaches often lack seamless coordination between the RL agent and the foundation model, leading to unreasonable decision-making in unfamiliar environments and efficiency bottlenecks. Making full use of the inferential capabilities of foundation models and the rapid response capabilities of RL agents and enhancing the interaction between the two to form a dual system is still a lingering scientific question. To address this problem, we draw inspiration from Kahneman's theory of fast thinking (System 1) and slow thinking (System 2), demonstrating that balancing intuition and deep reasoning can achieve nimble decision-making in a complex world. In this study, we propose a Dual-System Adaptive Decision Framework (DSADF), integrating two complementary modules: System 1, comprising an RL agent and a memory space for fast and intuitive decision making, and System 2, driven by a VLM for deep and analytical reasoning. DSADF facilitates efficient and adaptive decision-making by combining the strengths of both systems. The empirical study in the video game environment: Crafter and Housekeep demonstrates the effectiveness of our proposed method, showing significant improvements in decision abilities for both unseen and known tasks.


SurveyGen: Quality-Aware Scientific Survey Generation with Large Language Models

arXiv.org Artificial Intelligence

Automatic survey generation has emerged as a key task in scientific document processing. While large language models (LLMs) have shown promise in generating survey texts, the lack of standardized evaluation datasets critically hampers rigorous assessment of their performance against human-written surveys. In this work, we present SurveyGen, a large-scale dataset comprising over 4,200 human-written surveys across diverse scientific domains, along with 242,143 cited references and extensive quality-related metadata for both the surveys and the cited papers. Leveraging this resource, we build QUAL-SG, a novel quality-aware framework for survey generation that enhances the standard Retrieval-Augmented Generation (RAG) pipeline by incorporating quality-aware indicators into literature retrieval to assess and select higher-quality source papers. Using this dataset and framework, we systematically evaluate state-of-the-art LLMs under varying levels of human involvement - from fully automatic generation to human-guided writing. Experimental results and human evaluations show that while semi-automatic pipelines can achieve partially competitive outcomes, fully automatic survey generation still suffers from low citation quality and limited critical analysis.


AI helps chemists develop tougher plastics

AIHub

A new strategy for strengthening polymer materials could lead to more durable plastics and cut down on plastic waste, MIT and Duke University researchers report. A new strategy for strengthening polymer materials could lead to more durable plastics and cut down on plastic waste, according to researchers at MIT and Duke University. Using machine learning, the researchers identified crosslinker molecules that can be added to polymer materials, allowing them to withstand more force before tearing. These crosslinkers belong to a class of molecules known as mechanophores, which change their shape or other properties in response to mechanical force. "These molecules can be useful for making polymers that would be stronger in response to force. You apply some stress to them, and rather than cracking or breaking, you instead see something that has higher resilience," says Heather Kulik, the Lammot du Pont Professor of Chemical Engineering at MIT, who is also a professor of chemistry and the senior author of the study.


A Lightweight Group Multiscale Bidirectional Interactive Network for Real-Time Steel Surface Defect Detection

arXiv.org Artificial Intelligence

Real-time surface defect detection is critical for maintaining product quality and production efficiency in the steel manufacturing industry. Despite promising accuracy, existing deep learning methods often suffer from high computational complexity and slow inference speeds, which limit their deployment in resource-constrained industrial environments. Recent lightweight approaches adopt multibranch architectures based on depthwise separable convolution (DSConv) to capture multiscale contextual information. However, these methods often suffer from increased computational overhead and lack effective cross-scale feature interaction, limiting their ability to fully leverage multiscale representations. To address these challenges, we propose GMBINet, a lightweight framework that enhances multiscale feature extraction and interaction through novel Group Multiscale Bidirectional Interactive (GMBI) modules. The GMBI adopts a group-wise strategy for multiscale feature extraction, ensuring scale-agnostic computational complexity. It further integrates a Bidirectional Progressive Feature Interactor (BPFI) and a parameter-free Element-Wise Multiplication-Summation (EWMS) operation to enhance cross-scale interaction without introducing additional computational overhead. Experiments on SD-Saliency-900 and NRSD-MN datasets demonstrate that GMBINet delivers competitive accuracy with real-time speeds of 1048 FPS on GPU and 16.53 FPS on CPU at 512 resolution, using only 0.19 M parameters. Additional evaluations on the NEU-CLS defect classification dataset further confirm the strong generalization ability of our method, demonstrating its potential for broader industrial vision applications beyond surface defect detection. The dataset and code are publicly available at: https://github.com/zhangyongcode/GMBINet.


Spike Agreement Dependent Plasticity: A scalable Bio-Inspired learning paradigm for Spiking Neural Networks

arXiv.org Artificial Intelligence

We introduce Spike Agreement Dependent Plasticity (SADP), a biologically inspired synaptic learning rule for Spiking Neural Networks (SNNs) that relies on the agreement between pre- and post-synaptic spike trains rather than precise spike-pair timing. SADP generalizes classical Spike-Timing-Dependent Plasticity (STDP) by replacing pairwise temporal updates with population-level correlation metrics such as Cohen's kappa. The SADP update rule admits linear-time complexity and supports efficient hardware implementation via bitwise logic. Empirical results on MNIST and Fashion-MNIST show that SADP, especially when equipped with spline-based kernels derived from our experimental iontronic organic memtransistor device data, outperforms classical STDP in both accuracy and runtime. Our framework bridges the gap between biological plausibility and computational scalability, offering a viable learning mechanism for neuromorphic systems.


IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra

arXiv.org Artificial Intelligence

Spectral analysis provides crucial clues for the elucidation of unknown materials. Among various techniques, infrared spectroscopy (IR) plays an important role in laboratory settings due to its high accessibility and low cost. However, existing approaches often fail to reflect expert analytical processes and lack flexibility in incorporating diverse types of chemical knowledge, which is essential in real-world analytical scenarios. In this paper, we propose IR-Agent, a novel multi-agent framework for molecular structure elucidation from IR spectra. The framework is designed to emulate expert-driven IR analysis procedures and is inherently extensible. Each agent specializes in a specific aspect of IR interpretation, and their complementary roles enable integrated reasoning, thereby improving the overall accuracy of structure elucidation. Through extensive experiments, we demonstrate that IR-Agent not only improves baseline performance on experimental IR spectra but also shows strong adaptability to various forms of chemical information.


Optimized Lattice-Structured Flexible EIT Sensor for Tactile Reconstruction and Classification

arXiv.org Artificial Intelligence

Flexible electrical impedance tomography (EIT) offers a promising alternative to traditional tactile sensing approaches, enabling low-cost, scalable, and deformable sensor designs. Here, we propose an optimized lattice-structured flexible EIT tactile sensor incorporating a hydrogel-based conductive layer, systematically designed through three-dimensional coupling field simulations to optimize structural parameters for enhanced sensitivity and robustness. By tuning the lattice channel width and conductive layer thickness, we achieve significant improvements in tactile reconstruction quality and classification performance. Experimental results demonstrate high-quality tactile reconstruction with correlation coefficients up to 0.9275, peak signal-to-noise ratios reaching 29.0303 dB, and structural similarity indexes up to 0.9660, while maintaining low relative errors down to 0.3798. Furthermore, the optimized sensor accurately classifies 12 distinct tactile stimuli with an accuracy reaching 99.6%. These results highlight the potential of simulation-guided structural optimization for advancing flexible EIT-based tactile sensors toward practical applications in wearable systems, robotics, and human-machine interfaces.