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 Deep Learning


AutoLabs: Cognitive Multi-Agent Systems with Self-Correction for Autonomous Chemical Experimentation

arXiv.org Artificial Intelligence

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs achieves near-expert procedural accuracy (F1-score > 0.89) on challenging multi-step syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs


The Media Bias Detector: A Framework for Annotating and Analyzing the News at Scale

arXiv.org Artificial Intelligence

Mainstream news organizations shape public perception not only directly through the articles they publish but also through the choices they make about which topics to cover (or ignore) and how to frame the issues they do decide to cover. However, measuring these subtle forms of media bias at scale remains a challenge. Here, we introduce a large, ongoing (from January 1, 2024 to present), near real-time dataset and computational framework developed to enable systematic study of selection and framing bias in news coverage. Our pipeline integrates large language models (LLMs) with scalable, near-real-time news scraping to extract structured annotations -- including political lean, tone, topics, article type, and major events -- across hundreds of articles per day. We quantify these dimensions of coverage at multiple levels -- the sentence level, the article level, and the publisher level -- expanding the ways in which researchers can analyze media bias in the modern news landscape. In addition to a curated dataset, we also release an interactive web platform for convenient exploration of these data. Together, these contributions establish a reusable methodology for studying media bias at scale, providing empirical resources for future research. Leveraging the breadth of the corpus over time and across publishers, we also present some examples (focused on the 150,000+ articles examined in 2024) that illustrate how this novel data set can reveal insightful patterns in news coverage and bias, supporting academic research and real-world efforts to improve media accountability.


Deep set based operator learning with uncertainty quantification

arXiv.org Artificial Intelligence

Learning operators from data is central to scientific machine learning. While DeepONets are widely used for their ability to handle complex domains, they require fixed sensor numbers and locations, lack mechanisms for uncertainty quantification (UQ), and are thus limited in practical applicability . Recent permutation-invariant extensions, such as the V ariable-Input Deep Operator Network (VIDON), relax these sensor constraints but still rely on sufficiently dense observations and cannot capture uncertainties arising from incomplete measurements or from operators with inherent randomness. T o address these challenges, we propose UQ-SONet, a permutation-invariant operator learning framework with built-in UQ. Our model integrates a set transformer embedding to handle sparse and variable sensor locations, and employs a conditional variational autoencoder (cV AE) to approximate the conditional distribution of the solution operator. By minimizing the negative ELBO, UQ-SONet provides principled uncertainty estimation while maintaining predictive accuracy . Numerical experiments on deterministic and stochastic PDEs, including the Navier-Stokes equation, demonstrate the robustness and effectiveness of the proposed framework. Introduction Learning continuous operators or complex systems from scattered data streams has shown promising success in scientific machine learning, which focuses on modeling mappings between infinite-dimensional function spaces. A prominent example is the Fourier Neural Operator (FNO) [1], which parameterizes the integral kernel in Fourier space. While highly effective for problems on domains that can be discretized or efficiently mapped to Cartesian grids, the applicability of FNO to more general settings remains limited [2].


Using Images from a Video Game to Improve the Detection of Truck Axles

arXiv.org Artificial Intelligence

Convolutional Neural Networks (CNNs) traditionally require large amounts of data to train models with good performance. However, data collection is an expensive process, both in time and resources. Generated synthetic images are a good alternative, with video games producing realistic 3D models. This paper aims to determine whether images extracted from a video game can be effectively used to train a CNN to detect real-life truck axles. Three different databases were created, with real-life and synthetic trucks, to provide training and testing examples for three different You Only Look Once (YOLO) architectures. Results were evaluated based on four metrics: recall, precision, F1-score, and mean Average Precision (mAP). To evaluate the statistical significance of the results, the Mann-Whitney U test was also applied to the resulting mAP of all models. Synthetic images from trucks extracted from a video game proved to be a reliable source of training data, contributing to the performance of all networks. The highest mAP score reached 99\%. Results indicate that synthetic images can be used to train neural networks, providing a reliable, low-cost data source for extracting knowledge.


How Does Preconditioning Guide Feature Learning in Deep Neural Networks?

arXiv.org Artificial Intelligence

Preconditioning is widely used in machine learning to accelerate convergence on the empirical risk, yet its role on the expected risk remains underexplored. In this work, we investigate how preconditioning affects feature learning and generalization performance. We first show that the input information available to the model is conveyed solely through the Gram matrix defined by the preconditioner's metric, thereby inducing a controllable spectral bias on feature learning. Concretely, instantiating the preconditioner as the $p$-th power of the input covariance matrix and within a single-index teacher model, we prove that in generalization, the exponent $p$ and the alignment between the teacher and the input spectrum are crucial factors. We further investigate how the interplay between these factors influences feature learning from three complementary perspectives: (i) Robustness to noise, (ii) Out-of-distribution generalization, and (iii) Forward knowledge transfer. Our results indicate that the learned feature representations closely mirror the spectral bias introduced by the preconditioner -- favoring components that are emphasized and exhibiting reduced sensitivity to those that are suppressed. Crucially, we demonstrate that generalization is significantly enhanced when this spectral bias is aligned with that of the teacher.


SMS: Self-supervised Model Seeding for Verification of Machine Unlearning

arXiv.org Artificial Intelligence

Abstract--Many machine unlearning methods have been proposed recently to uphold users' right to be forgotten. However, offering users verification of their data removal post-unlearning is an important yet under-explored problem. Current verifications typically rely on backdooring, i.e., adding backdoored samples to influence model performance. Nevertheless, the backdoor methods can merely establish a connection between backdoored samples and models but fail to connect the backdoor with genuine samples. Thus, the backdoor removal can only confirm the unlearning of backdoored samples, not users' genuine samples, as genuine samples are independent of backdoored ones. In this paper, we propose a Self-supervised Model Seeding (SMS) scheme to provide unlearning verification for genuine samples. Unlike backdooring, SMS links user-specific seeds (such as users' unique indices), original samples, and models, thereby facilitating the verification of unlearning genuine samples. However, implementing SMS for unlearning verification presents two significant challenges. First, embedding the seeds into the service model while keeping them secret from the server requires a sophisticated approach. We address this by employing a self-supervised model seeding task, which learns the entire sample, including the seeds, into the model's latent space. Second, maintaining the utility of the original service model while ensuring the seeding effect requires a delicate balance. The effectiveness of the proposed SMS scheme is evaluated through extensive experiments on three representative datasets, utilizing various model architectures and exact and approximate unlearning benchmarks. The results demonstrate that SMS provides effective verification for genuine sample unlearning, effectively addressing the limitations of existing solutions. N recent years, numerous privacy regulations and laws, such as the General Data Protection Regulation (GDPR) and California Consumer Privacy Act (CCP A) [1], have been introduced to safeguard individuals' data privacy. These legislations guarantee individuals the right to be forgotten, thus prompting a hot and attractive research topic, machine unlearning [2, 3, 4]. Machine unlearning aims to remove the trace of user-specified samples from the already-trained models, ensuring compliance with these privacy mandates.


Unsupervised Detection of Spatiotemporal Anomalies in PMU Data Using Transformer-Based BiGAN

arXiv.org Artificial Intelligence

Ensuring power grid resilience requires the timely and unsupervised detection of anomalies in synchrophasor data streams. We introduce T-BiGAN, a novel framework that integrates window-attention Transformers within a bidirectional Generative Adversarial Network (BiGAN) to address this challenge. Its self-attention encoder-decoder architecture captures complex spatio-temporal dependencies across the grid, while a joint discriminator enforces cycle consistency to align the learned latent space with the true data distribution. Anomalies are flagged in real-time using an adaptive score that combines reconstruction error, latent space drift, and discriminator confidence. Evaluated on a realistic hardware-in-the-loop PMU benchmark, T-BiGAN achieves an ROC-AUC of 0.95 and an average precision of 0.996, significantly outperforming leading supervised and unsupervised methods. It shows particular strength in detecting subtle frequency and voltage deviations, demonstrating its practical value for live, wide-area monitoring without relying on manually labeled fault data.


Hybrid Reward Normalization for Process-supervised Non-verifiable Agentic Tasks

arXiv.org Artificial Intelligence

Large Language Models (LLMs) increasingly rely on external tools such as search engines to solve complex agentic tasks that require reasoning and external knowledge retrieval. Recently, reinforcement learning with verifiable rewards (RL VR) has demonstrated its effectiveness in advancing capabilities of LLMs by rewarding the final answers via outcome rewards. While straightforward to supervise, outcome rewards only provide sparse signals and delayed feedback, which limits their effectiveness on long trajectories. Process rewards address this by evaluating intermediate steps, providing fine-grained supervision and encouraging grounded problem solving. However, it is notoriously hard to annotate step-wise labels, especially in non-verifiable process without "golden" answers. Furthermore, stepwise judgment requires the balance between local quality with contribution to the final outcome, as optimizing towards higher process reward may not always align with better final outcomes. To address the above challenges, we introduce Principle Process Reward (PPR), an RL approach that unifies principled step-level assessment and outcome verification. We train a principle-based reward model to improve the transparency and reliability of process evaluation, and further introduce a Reward Normalization (ReNorm) strategy to calibrate outcome and process rewards. Experiment results show that PPR achieves state-of-the-art performance across a wide range of benchmarks, demonstrating its impressive robustness and generalization. Our code and model collection is available in this link.Figure 1: Performance of PPR on various benchmarks with other baselines Large Language Models (LLMs) have achieved remarkable progress across a wide range of tasks, from open-domain question answering to multi-step reasoning (Guo et al., 2025; OpenAI, 2025b; Comanici et al., 2025). A key factor for success is their abilities to leverage external tools such as search engines, calculators, code interpreters, and browsers (DeepMind, 2025; Guo et al., 2024; OpenAI, 2025a). In particular, the search engine is a linchpin tool that provides verifiable and up-to-date knowledge for LLMs, helping to ground their answers and reduce hallucinations. However, training LLM agents to leverage tools effectively still remains challenging, as the complex behavior involving task decomposition, query generation, information aggregation, and stopping decisions.


K-Prism: A Knowledge-Guided and Prompt Integrated Universal Medical Image Segmentation Model

arXiv.org Artificial Intelligence

Medical image segmentation is fundamental to clinical decision-making, yet existing models remain fragmented. They are usually trained on single knowledge sources and specific to individual tasks, modalities, or organs. This fragmentation contrasts sharply with clinical practice, where experts seamlessly integrate diverse knowledge: anatomical priors from training, exemplar-based reasoning from reference cases, and iterative refinement through real-time interaction. We present $\textbf{K-Prism}$, a unified segmentation framework that mirrors this clinical flexibility by systematically integrating three knowledge paradigms: (i) $\textit{semantic priors}$ learned from annotated datasets, (ii) $\textit{in-context knowledge}$ from few-shot reference examples, and (iii) $\textit{interactive feedback}$ from user inputs like clicks or scribbles. Our key insight is that these heterogeneous knowledge sources can be encoded into a dual-prompt representation: 1-D sparse prompts defining $\textit{what}$ to segment and 2-D dense prompts indicating $\textit{where}$ to attend, which are then dynamically routed through a Mixture-of-Experts (MoE) decoder. This design enables flexible switching between paradigms and joint training across diverse tasks without architectural modifications. Comprehensive experiments on 18 public datasets spanning diverse modalities (CT, MRI, X-ray, pathology, ultrasound, etc.) demonstrate that K-Prism achieves state-of-the-art performance across semantic, in-context, and interactive segmentation settings. Code will be released upon publication.


Causal Autoencoder-like Generation of Feedback Fuzzy Cognitive Maps with an LLM Agent

arXiv.org Artificial Intelligence

A large language model (LLM) can map a feedback causal fuzzy cognitive map (FCM) into text and then reconstruct the FCM from the text. This explainable AI system approximates an identity map from the FCM to itself and resembles the operation of an autoencoder (AE). Both the encoder and the decoder explain their decisions in contrast to black-box AEs. Humans can read and interpret the encoded text in contrast to the hidden variables and synaptic webs in AEs. The LLM agent approximates the identity map through a sequence of system instructions that does not compare the output to the input. The reconstruction is lossy because it removes weak causal edges or rules while it preserves strong causal edges. The encoder preserves the strong causal edges even when it trades off some details about the FCM to make the text sound more natural.