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Science Journals

Peer-reviewade publikationer — 56237 artiklar

Expressivity of congruence-based architectures for DNNs on positive-definite matrices
arXiv:2606.02490v1 Announce Type: new Abstract: This work studies neural architectures for classifying symmetric positive-definite matrices, focusing on congruence-like layers, in which the input matrix is multiplied on the left and right by a (possibly rectangular) weight matrix $W$ and its transpose. Such layers lie at the core of the celebrated SPDNet and have also been employed independently for dimensionality reduction on positive-definite data. We show that the (semi)-orthogonality constraint commonly imposed on $W$ limits the expressivity of these layers: for certain activation functions, the resulting architecture collapses to a one-hidden-layer equivalent. This lack of expressivity follows from a loss of spectral diversity in congruence-like layers for semi-orthogonal $W$ and is a direct consequence of Poincar\'e's separation theorem. We then examine the choice of the final classifier, comparing several Riemannian classifiers and discussing their compatibility with the feature maps produced by congruence-like layers.
Intercepting the Future: Latent-Space Predictive World Model for Dynamic VLA Manipulation
arXiv:2606.02486v1 Announce Type: new Abstract: Vision-Language-Action (VLA) models generalize across static manipulation but fail when objects move during task execution. They map the current observation to an action and assume the scene is stationary between observation and execution, so at any non-trivial object speed the resulting latency exceeds the time available to grasp. We close this gap with AHEAD (Anticipatory Horizon Extrapolation with Adaptive Dynamics), a predict-then-act wrapper that augments a frozen VLA with a motion-aware latent world model. A small world model trained on manipulation video forecasts future patch tokens in the VLA's feature space, conditioned on per-token velocity and acceleration from optical flow. A language-and-motion saliency mask concentrates prediction on task-relevant patches, and the model rolls forward for an adaptive horizon, halting when prediction uncertainty crosses a threshold. The frozen action decoder then receives the predicted future tokens in place of the current ones. AHEAD adds 4.9M parameters to a frozen 7B OpenVLA and reaches 79 to 97% success across 20 dynamic simulation scenarios where the strongest baseline reaches 31 to 58%. On a physical UFactory xArm 7, AHEAD succeeds on 29/30 to 30/30 on three conveyor and rolling-ball tasks, 23/30 on paddle interception, and 19/30 on projectile catching where every baseline scores 0/30.
RefLoRA: Refactored Low-Rank Adaptation for Efficient Fine-Tuning of Large Models
arXiv:2505.18877v4 Announce Type: replace Abstract: Low-Rank Adaptation (LoRA) lowers the computational and memory overhead of fine-tuning large models by updating a low-dimensional subspace of the pre-trained weight matrix. Albeit efficient, LoRA exhibits suboptimal convergence and noticeable performance degradation, due to inconsistent and imbalanced weight updates induced by its nonunique low-rank factorizations. To overcome these limitations, this article identifies the optimal low-rank factorization per step that minimizes an upper bound on the loss. The resultant refactored low-rank adaptation (RefLoRA) method promotes a flatter loss landscape, along with consistent and balanced weight updates, thus speeding up stable convergence. Extensive experiments evaluate RefLoRA on natural language understanding, and commonsense reasoning tasks with popular large language models including DeBERTaV3, LLaMA-7B, LLaMA2-7B and LLaMA3-8B. The numerical tests corroborate that RefLoRA converges faster, outperforms various benchmarks, and enjoys negligible computational overhead compared to state-of-the-art LoRA variants.
Interpretable Graph Kolmogorov-Arnold Networks for Multi-Cancer Classification and Biomarker Identification using Multi-Omics Data
arXiv:2503.22939v4 Announce Type: replace Abstract: The integration of heterogeneous multi-omics datasets at a systems level remains a central challenge for developing analytical and computational models in precision cancer diagnostics. This paper introduces Multi-Omics Graph Kolmogorov-Arnold Network (MOGKAN), a deep learning framework that utilizes messenger-RNA, micro-RNA sequences, and DNA methylation samples together with Protein-Protein Interaction (PPI) networks for cancer classification across 31 different cancer types. The proposed approach combines differential gene expression with DESeq2, Linear Models for Microarray (LIMMA), and Least Absolute Shrinkage and Selection Operator (LASSO) regression to reduce multi-omics data dimensionality while preserving relevant biological features. The model architecture is based on the Kolmogorov-Arnold theorem principle and uses trainable univariate functions to enhance interpretability and feature analysis. MOGKAN achieves classification accuracy of 96.28 percent and exhibits low experimental variability in comparison to related deep learning-based models. The biomarkers identified by MOGKAN were validated as cancer-related markers through Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. By integrating multi-omics data with graph-based deep learning, our proposed approach demonstrates robust predictive performance and interpretability with potential to enhance the translation of complex multi-omics data into clinically actionable cancer diagnostics.
When Meaning Travels: A Granular Lens on Hybrid-MoE's Role in Idiomatic Understanding for Language Models
arXiv:2606.01671v1 Announce Type: new Abstract: In the contemporary epoch of multilingual education, learning idioms provides a fascinating gateway towards creativity, cultural values, historical context, and diverse perspectives inherent to various linguistic traditions. This paper showcases the navigation of retaining figurative and cultural semantics in low-resource Southeast Asian languages such as Hindi, Bengali, and Thai, where culturally rich idioms pose significant obstacles for computational modeling and cross-linguistic transfer due to their deep metaphorical complexity. To tackle such complexity, we present Varnika, a reconstructed multimodal idiom corpus comprising 3,533 multilingual idioms, enriched with seven idiomatic tones aligned with both textual and visual representations. Additionally, to infer informative idiomatic understanding, we introduce a Hybrid Mixture-of-Experts (HybridMoE) framework that embeds multiple idiomatic expert opinions while mitigating expert sparsity by integrating outputs from both selected and unselected experts through controlled hybridization, further augmented with Idiomatic Property Signals via masked multimodal embeddings. To analyze the performance across multiple dimensions, we propose the IDIO-TONE and Idiomatic Validation Score, a three-stage evaluation pipeline measuring (i) literal translation fidelity, (ii) visual-semantic alignment, and (iii) idiomatic meaning retention. Empirical evaluations highlight that HybridMoE achieves 5--6\% performance gains across advanced vision language models, demonstrating improved representation of figurative language and culturally embedded meaning in multilingual multimodal settings
A No-Regret Framework for Adaptive Incentive Design
arXiv:2606.02529v1 Announce Type: cross Abstract: Incentive design studies how a central authority can influence strategic agents through payments, subsidies, or taxes, so that individual objectives align with collective welfare. This paper introduces a No-Regret Adaptive Incentive Design (RAID) framework for nonlinear games with continuous action spaces and private agent costs. In this framework, the authority (planner) designs incentives that regulate the Nash equilibrium toward a socially optimal action profile, while simultaneously learning agents' unknown preferences from repeated strategic responses. We formulate the RAID problem and construct a least-squares estimator whose strong consistency requires only diminishing excitation. Leveraging this weak excitation requirement, we propose a switching incentive policy that alternates between probing (exploration) and estimate-based (exploitation) incentives. The resulting policy achieves an $O(t^{-0.5})$ parameter estimation rate and accumulates $O(t^{0.5}\log t)$ squared social-cost regret, almost surely. We further extend the framework to an endogenous-noise response model, where standard least-squares estimation is biased due to an error-in-variables correlation between the noise and agent responses. We utilize a repeated-sampling estimator and corresponding switching policy that retain the same almost-sure convergence and regret rates. Numerical experiments validate the effectiveness and predicted convergence rates of the method.
Evolutionary Discovery of Bivariate Bicycle Codes with LLM-Guided Search
arXiv:2606.02418v1 Announce Type: cross Abstract: Quantum LDPC code discovery requires searching large algebraic design spaces while reliably certifying the parameters and equivalence classes of any candidates found. We introduce an LLM-guided evolutionary workflow in which language models mutate Python programs that generate bivariate-bicycle and perturbed bivariate-bicycle code ans\"atze. Across five campaigns, the system performed approximately 1{,}650 evolutionary iterations, screened about $2 \times 10^5$ candidate codes, and required ${\sim}140$ hours of computation and ${\sim}$US\$400 in LLM inference cost. Candidate codes are evaluated through a staged validation pipeline combining $\mathrm{GF}(2)$ rank computation, distance estimation and certification, mixed-integer linear programming, BLISS Tanner-graph deduplication, decomposability analysis, and local-Clifford equivalence checks. At block length $n \leq 360$, the workflow identifies 465 distinct candidate codes: 97 CSS bivariate-bicycle codes and 368 non-CSS perturbed variants. The CSS search recovers known high-performing codes and finds new finite-length representatives, including an indecomposable [[288,16,12]] code and higher-weight codes with up to $k = 50$ at distance $d = 8$. The non-CSS search produces perturbed codes matching the gross-code figure of merit at [[144,12,12]], along with additional high-distance candidates reported as certified values or upper bounds according to MILP status. Overall, these results show that LLM-guided program evolution can serve as a practical tool for structured quantum-code discovery when paired with independent evaluation.
Fixed-Mean Gaussian Processes for Post-hoc Bayesian Deep Learning
arXiv:2412.04177v2 Announce Type: replace Abstract: Recently, there has been an increasing interest in performing post-hoc uncertainty estimation about the predictions of pre-trained deep neural networks (DNNs). Given a pre-trained DNN via back-propagation, these methods enhance the original network by adding output confidence measures, such as error bars, without compromising its initial accuracy. In this context, we introduce a novel family of sparse variational Gaussian processes (GPs), where the posterior mean is fixed to any continuous function when using a universal kernel. Specifically, we fix the mean of this GP to the output of the pre-trained DNN, allowing our approach to effectively fit the GP's predictive variances to estimate the DNN prediction uncertainty. Our approach leverages variational inference (VI) for efficient stochastic optimization, with training costs that remain independent of the number of training points, scaling efficiently to large datasets such as ImageNet. The proposed method, called fixed-mean GP (FMGP), is architecture-agnostic, relying solely on the pre-trained model's outputs to adjust the predictive variances. Experimental results demonstrate that FMGP improves both uncertainty estimation and computational efficiency when compared to state-of-the-art methods for DNN post-hoc Bayesian inference.
Self-supervised Monocular Depth and Pose Estimation for Endoscopy with Latent Priors
arXiv:2411.17790v3 Announce Type: replace Abstract: Accurate 3D mapping in endoscopy enables quantitative, holistic lesion characterization within the gastrointestinal (GI) tract, requiring reliable depth and pose estimation. However, endoscopy systems are monocular, and existing methods relying on synthetic datasets or complex models often lack generalizability in challenging endoscopic conditions. We propose a robust self-supervised monocular depth and pose estimation framework that incorporates a Generative Latent Bank and a Variational Autoencoder (VAE). The Generative Latent Bank leverages extensive depth scenes from natural images to condition the depth network, enhancing realism and robustness of depth predictions through latent feature priors. For pose estimation, we reformulate it within a VAE framework, treating pose transitions as latent variables to regularize scale, stabilize z-axis prominence, and improve x-y sensitivity. This dual refinement pipeline enables accurate depth and pose predictions, effectively addressing the GI tract's complex textures and lighting. Extensive evaluations on SimCol and EndoSLAM datasets confirm our framework's superior performance over published self-supervised methods in endoscopic depth and pose estimation.
A Foundation Model for Wearable Movement Data in Mental Health Research
arXiv:2411.15240v5 Announce Type: replace Abstract: Wearable movement data is collected by nearly all commercially available smartwatches and is a valuable resource for mental health research, reflecting fine-grained temporal behavioral trends. Despite its promise, the development of foundation models for health wearable modeling remains limited when compared to clinical image and text analysis. We designed transformers with patch embeddings and used self-supervised masked autoencoder pretraining on minute-level week-long actigraphy (physical activity intensity measurement) sequences to develop and evaluate the Pretrained Actigraphy Transformer (PAT). PAT is an open-source foundation model for wearable movement time series that combines week-long temporal modeling, psychiatric outcome evaluation, and reproducibility on public data. Pretrained on data from 21,538 U.S. participants in a nationally representative cohort from the National Health and Nutrition Examination Survey (NHANES), PAT consistently outperformed non-foundation-model baselines across mental health prediction tasks-including benzodiazepine and SSRI use, depression, and sleep abnormalities. During the benzodiazepine medication usage prediction task, PAT demonstrated the largest improvement over non-foundational deep learning models commonly used for time-series modeling (i.e., 55.6% improvement over the LSTM, 21.4% improvement over the 1-D CNN, 14.8% improvement over the ConvLSTM). Beyond predictive accuracy, PAT provides interpretable attention maps highlighting specific periods of daily activity most important for clinical predictions, offering model transparency and potential clinical insights. The results suggest that PAT offers an easy-to-deploy, adaptable and scalable solution to advance clinical insight from wearable sensor data for researchers and clinicians. GitHub: https://github.com/njacobsonlab/Pretrained-Actigraphy-Transformer/
Representing Hypergraphs by Point-Line Incidences
arXiv:2411.13985v3 Announce Type: replace Abstract: We consider hypergraph visualizations that represent vertices as points in the plane and hyperedges as curves passing through the points of their incident vertices. Specifically, we consider several different variants of this problem by (a) restricting the curves to be lines or line segments, (b) allowing two curves to cross if they do not share an element, or not; and (c) allowing two curves to overlap or not. We show $\exists\mathbb{R}$-hardness for six of the eight resulting decision problem variants and describe polynomial-time algorithms in some restricted settings. Lastly, we briefly touch on what happens if we allow the lines of the represented hyperedges to have bends - to this we generalize a counterexample to a long-standing result that was sometimes assumed to be correct.
Dimension Reduction via Sum-of-Squares and Improved Clustering Algorithms for Non-Spherical Mixtures
arXiv:2411.12438v2 Announce Type: replace Abstract: We develop a new approach for clustering non-spherical (i.e., arbitrary component covariances) Gaussian mixture models via a subroutine, based on the sum-of-squares method, that finds a low-dimensional separation-preserving projection of the input data. Our method gives a non-spherical analog of the classical dimension reduction, based on singular value decomposition, that, among several other applications, forms a key component of the celebrated spherical clustering algorithm of Vempala and Wang [VW04]. As applications, we obtain an algorithm to (1) cluster an arbitrary total-variation separated mixture of $k$ centered (i.e., zero-mean) Gaussians with $n\geq \operatorname{poly}(d) f(w_{\min}^{-1})$ samples and $\operatorname{poly}(n)$ time, and (2) cluster an arbitrary total-variation separated mixture of $k$ Gaussians with identical but arbitrary unknown covariance with $n \geq d^{O(\log w_{\min}^{-1})} f(w_{\min}^{-1})$ samples and $n^{O(\log w_{\min}^{-1})}$ time. Here, $w_{\min}$ is the minimum mixing weight of the input mixture, and $f$ does not depend on the dimension $d$. Our algorithms naturally extend to tolerating a dimension-independent fraction of arbitrary outliers. Before this work, the techniques in the state-of-the-art non-spherical clustering algorithms needed $d^{O(k)} f(w_{\min}^{-1})$ samples and time for clustering such mixtures. Our results may come as a surprise in the context of the $d^{\Omega(k)}$ statistical query and sum-of-squares lower bounds [DKS17, DKPP24] for clustering non-spherical Gaussian mixtures. While these results are usually thought to rule out $d^{o(k)}$ cost algorithms for the problem, our results show that the lower bounds can in fact be circumvented for a remarkably general class of Gaussian mixtures.
Quantum Algorithm for Distributed Reduction of Entanglements (QADR): A Trainable and Simulation-Efficient QML Framework
arXiv:2606.01291v1 Announce Type: cross Abstract: Training Variational Quantum Circuits (VQCs) under Noisy Intermediate-Scale Quantum (NISQ) constraints introduces severe computational limitations: classical statevector simulation memory scales exponentially ($\mathcal{O}(2^n)$), and global cost functions suffer from barren plateaus where gradient variance decays exponentially ($\mathcal{O}(1/2^n)$). This paper introduces and evaluates the Quantum Algorithm for Distributed Reduction of Entanglements (QADR), a hybrid quantum-classical machine learning framework that decomposes a global $n$-qubit VQC into localized sub-circuits operating approximately within the causal light cones of individual target qubits. QADR reduces classical simulation memory scaling from $\mathcal{O}(2^n)$ to $\mathcal{O}(n \cdot 2^{2d+1})$ for a light cone radius $d$, while naturally mitigating global barren plateaus. We benchmark QADR against standard global VQCs, Support Vector Machines (SVM), and two customized classical parameter-matched neural networks (CANN and PMNN) on the MNIST dataset and the high-dimensional NASA IMS wind turbine drivetrain diagnostic task. QADR demonstrates excellent scalability, operating successfully at $n_{\text{features}}=2000$ where standard global VQCs crash due to memory exhaustion, while matching or exceeding the performance of optimized classical architectures.
HERO'S JOURNEY: Testing Complex Rule Induction with Text Games
arXiv:2606.02556v1 Announce Type: new Abstract: We introduce HERO'S JOURNEY, a benchmark for rule induction in goal-directed episodic tasks, where agents must infer hidden rules from demonstrations and act on them through multi-step execution. HERO'S JOURNEY covers eight tasks across attribute and procedural induction families, each with four structural rule forms, controllable lexical grounding, and identifiability conditions. Evaluating state-of-the-art LLMs, we find that models show evidence of rule induction, but the ability is limited and uneven across tasks. Meanwhile, process execution adds an execution bottleneck for models, whereas surface semantics has minimal effect. Induction-specific steering methods improve performance on attribute tasks but show no reliable gains on procedural tasks, suggesting the gap in procedural induction remains an open challenge.
Unsupervised Cognition
arXiv:2409.18624v4 Announce Type: replace Abstract: Unsupervised learning methods have a soft inspiration in cognition models. To this day, the most successful unsupervised learning methods revolve around clustering samples in a mathematical space. In this paper we propose a primitive-based, unsupervised learning approach for decision-making inspired by a novel cognition framework. This representation-centric approach models the input space constructively as a distributed hierarchical structure in an input-agnostic way. We compared our approach with both current state-of-the-art unsupervised learning classification, with current state-of-the-art small and incomplete datasets classification, and with current state-of-the-art cancer type classification. We show how our proposal outperforms previous state-of-the-art. We also evaluate some cognition-like properties of our proposal where it not only outperforms the compared algorithms (even supervised learning ones), but it also shows a different, more cognition-like, behaviour.
Practical Aspects on Solving Differential Equations Using Deep Learning: A Primer
arXiv:2408.11266v5 Announce Type: replace Abstract: Deep learning is now common across many scientific fields, including the study of partial differential equations. This article provides a brief, accessible introduction to core deep learning concepts, including neural networks, backpropagation, and the universal approximation theorem. It mainly covers how to use deep learning in solving differential equations. The article aims to help undergraduate and graduate students in mathematics, physics, and related areas learn how to use Deep Learning to solve partial differential equations. Instructors in mathematics or physics can also use this article to introduce students to Deep Galerkin method and scientific deep learning. We focus on key questions: What is deep learning, and how can it help solve mathematical or physical problems? How can you implement a neural network and choose the right numerical method to solve differential equations? How do you select the best hyperparameters? How can you improve accuracy and speed up convergence? We should mention that all the problems in this article can be solved on a machine without a GPU, so any student can follow the presented methodology.
Enhancing Blind Source Separation with Dissociative Principal Component Analysis
arXiv:2411.12321v2 Announce Type: replace Abstract: Principal component analysis (PCA) and its sparse variants (sPCA) are widely used as a precursor to independent component analysis (ICA) for blind source separation (BSS). However, sPCA typically relies on a deflation strategy that extracts components sequentially and imposes orthogonality between them. When the underlying sources overlap, this discards the cross component structure that ICA depends on, degrading separation. This paper proposes dissociative PCA (DPCA), which estimates components jointly rather than by deflation. DPCA introduces left and right dissociation matrices into the SVD based decomposition to explicitly model the interdependencies among principal components (PCs) and loading vectors (LVs), while sparsity constraints maintain interpretability. We develop three algorithms called DPCA1a, DPCA1b, and DPCA2, using adaptive soft thresholding with gradient and coordinate descent, together with a secondary firm thresholding step that preserves sparsity and suppresses background noise in the recovered loading vectors. The method is evaluated on four settings, namely simulated fMRI source retrieval, foreground and background separation, image reconstruction, and image inpainting, where it recovers source structure more reliably than classical sPCA based pipelines, with the largest gains under significant spatial overlap. DPCA reduces to ordinary PCA when the sparsity parameter is zero. A MATLAB implementation of the proposed algorithms is publicly available at https://github.com/usmankhalid06/DPCA.
Nonlinear Equilibrium Transitions in a Potential Game Model for Federated Learning
arXiv:2411.11793v2 Announce Type: replace Abstract: In federated learning (FL), a central server typically allocates training efforts to clients. However, from a market-oriented perspective, clients may independently choose their training efforts based on rational self-interest. To study this setting, we propose a potential game framework in which each client's payoff is determined by its individual effort and the rewards provided by the server. The rewards are influenced by the collective efforts of all clients and can be modulated by a reward factor. We first establish the existence of Nash equilibria (NEs) and then investigate their uniqueness in a stationary setting. We show that the NEs depend nonlinearly on the reward factor and exhibit a nonsmooth transition at a critical value, where the stationary potential loses strict curvature, leading to nonunique NEs and a jump between low-effort and high-effort branches. Furthermore, we prove the convergence of the best-response algorithm for computing NEs in our FL game. Finally, we apply the clients' rational efforts derived from the NEs to FL training with various datasets and models, thereby validating the effectiveness of the identified critical reward factor.
Learning Fine-grained Parameter Sharing via Sparse Tensor Decomposition
arXiv:2411.09816v5 Announce Type: replace Abstract: Large neural networks achieve state-of-the-art performance on many tasks, yet their sheer size hinders deployment on resource-constrained devices. Among existing compression approaches, cross-layer parameter sharing remains relatively unexplored for transformer models. In this paper, we introduce Fine-grained Parameter Sharing (FiPS), a unified framework for compressing transformer Multi-Layer Perceptrons (MLPs) that combines cross-block parameter sharing, low-rank factorization, and sparsity in a single optimization. FiPS concatenates MLP weight matrices across a group of transformer blocks and factorizes them into a shared basis and sparse, layer-specific projection matrices. Both factors are initialized via singular value decomposition (SVD) and jointly optimized by block-wise reconstruction error minimization. FiPS compresses Vision Transformers (ViTs) by up to 33% with less than 1% top-1 accuracy loss on ImageNet-1k, and by up to 57% when combined with fine-tuning. It also compresses Large Language Models (LLMs) by up to 20% while outperforming existing SVD-based methods in perplexity and downstream benchmarks at matched compression. Combined with Quantization-Aware Training (QAT), 3-bit FiPS on Gemma-2-2B achieves lower perplexity than 2-bit QAT alone while matching the same 8x compression. These results establish fine-grained parameter sharing as a practical and effective approach for transformer MLP compression.
A Guide to Higher-Order Homophily
arXiv:2606.02537v1 Announce Type: new Abstract: Homophily, the overrepresentation of interactions among similar individuals, and heterophily, the elevated prevalence of interactions among dissimilar ones, are frequently observed mixing patterns in social networks. As hypergraphs are increasingly used to represent social systems, a higher-order perspective on homophily and heterophily becomes ever more relevant. Here, we provide two complementary perspectives on this problem: First, we survey measures that can be used to quantify homophily (or heterophily) in hypergraphs -- emphasizing conceptual differences to existing pairwise measures -- and explain each measure through in-depth examples. Second, we provide an overview of hypergraph models for higher-order mixing patterns, distinguishing several model families with distinct use cases. By providing a guide to existing methods and synthesizing the current body of knowledge on higher-order homophily and heterophily, we lay the basis for informed methodological choices and future developments.
FlipItRight: Stable Pose-Targeted Throw-Flip Across Diverse Objects
arXiv:2606.01713v1 Announce Type: new Abstract: We propose FlipItRight, a framework for stable planar pose-targeted throw-flip with a high-DoF manipulator. The task is decomposed into an object-level planner, which generates candidate release states satisfying the desired landing pose, and a robot-level planner, which evaluates executability and constructs a feasible swing motion. Treating the release state as an explicit intermediate representation enables principled candidate filtering, adaptive selection of release and pre-swing configurations, and structured near-release motion design -- in particular, approximately constant end-effector velocities during the final swing phase to improve robustness to release-timing uncertainty. We validate on a real platform across objects of varying shape, size, and mass, achieving a 90% success rate across 120 trials. Ablation studies confirm that each design choice contributes to throwing performance, and the framework requires no prior data or learned model, enabling direct deployment on new objects and targets without environment-specific calibration or data collection.
Excitonic and Charge-Transfer Contributions to Molecular Dimer Absorption: A Decomposition Approach Applied to a BPEA Dimer
arXiv:2606.02261v1 Announce Type: new Abstract: Electronic absorption spectra of multichromophoric systems are often governed by complex excited-state structures arising from excitonic and charge-transfer (CT) interactions between chromophores, while direct identification of the underlying electronic transitions is frequently hindered by strong vibronic and solvent-induced broadening. In this paper, we develop a theoretical framework for the analysis and decomposition of absorption spectra of molecular dimers with coupled Frenkel exciton (FE) and charge-transfer states, including solvent-induced stabilization of zwitterionic configurations within a unified adiabatic-state formalism. The analysis reveals that exciton-CT mixing strongly reorganizes the electronic absorption profile and produces pronounced spectral broadening, while leaving the first spectral moment essentially unaffected. Numerical calculations show that the dominant mechanism of CT-induced broadening originates primarily from additional energetic splitting between spectral components rather than from broadening of the individual bands themselves. The electronic model is further extended to include coupling to high-frequency intramolecular vibrations and low-frequency environmental degrees of freedom, providing a practical framework for interpretation of realistic experimental spectra. The developed formalism is applied to the absorption spectrum of a covalently linked 9,10-bis(phenylethynyl)anthracene dimer in dichloromethane, where spectral decomposition reveals a predominantly excitonic low-energy doublet and higher-energy states with substantial CT character. The proposed approach offers a physically transparent framework for the analysis of complex absorption spectra in molecular aggregates and organic electronic materials with coupled excitonic and CT states.
EES-CND: Collaborative Neural Decision-Making for Drift-Aware Fault-Tolerant Edge-Cloud Service Placement
arXiv:2606.02259v1 Announce Type: new Abstract: The edge-cloud paradigm improves service delivery by orchestrating resources across edge nodes and cloud data centres. These environments consist of heterogeneous, interconnected computing nodes that cooperate to deliver continuous services. However, their scale and complexity increase vulnerability to failures from hardware malfunctions, software defects, and dynamic operating conditions. These failures can disrupt system configurations and service execution, leading to reduced reliability, performance degradation, and violations of service-level objectives. Ensuring service execution requires adaptive service placement strategies across edge-cloud resources. This study introduces a fault-tolerant service placement approach (Enhanced Evolution Strategy for Collaborative Neural Decision-making, EES-CND) for edge-cloud environments. The method employs collaborative decision-making, wherein multiple lightweight neural networks jointly infer redeployment strategies during failure events. To address the system dynamics and mitigate performance drift, adaptive models are updated online using an enhanced evolution strategy. Extensive simulations show that EES-CND effectively handles performance drift and significantly outperforms existing methods in service recovery time, response time, and reliability, achieving a 44.8\% reduction in fault-tolerance cost compared to standalone models.
Matter to Mechanism: A Benchmark for AI Co-Scientists in Materials and Battery Research
arXiv:2606.02258v1 Announce Type: new Abstract: AI co-scientists are increasingly used for scientific discovery, but current evaluations still do not test them on a key task: moving from a concrete scientific or technological problem to a plausible, mechanism-grounded solution hypothesis. This gap is especially important in materials science and, in particular, battery research, where a useful proposal must identify the relevant failure mode, propose a credible intervention, and explain why that intervention should improve the target property. We introduce Matter to Mechanism, a benchmark for evaluating AI co-scientists on problem-to-hypothesis reasoning in materials science, with a focus on battery materials research. The benchmark contains 2,645 instances derived from scientific publications. Each instance includes a structured problem statement, a candidate solution hypothesis, an explicit reasoning trace, and domain-grounded annotations such as material system, component, failure mode, intervention, mechanism, target property, and claimed outcome. We also introduce a metric suite that measures reasoning fidelity, problem alignment, mechanistic specificity, novelty, plausibility, and problem decomposition quality, and combine them into a composite score. Using this framework, we evaluate several AI co-scientist systems and show that Matter to Mechanism reveals interpretable system differences that are only partially recovered by standard text-similarity metrics. We further show through adversarial stress tests that the aggregate score is more stable than individual metric dimensions under superficial gaming attacks.
ArrythML: An Autoencoder-Based TinyML Approach for On-Device Arrhythmia Detection on Resource-Constrained Embedded Systems
arXiv:2606.02256v1 Announce Type: new Abstract: Our work presents a method for ECG segmentation and arrhythmia detection using Tiny Machine Learning (TinyML) models for real-time, on-device inference on resource-constrained embedded systems. We develop INT8 quantized autoencoder-based TinyML models with minimal layers and parameters for embedded deployment. These models are evaluated using a custom dataset derived from the MIT-BIH Arrhythmia Database and validated in both PC-based simulations and on-device environments. For the evaluations, over 95,000 ECG segments are processed on an ESP32-S3 microcontroller running the TensorFlow Lite Micro runtime. Post-evaluation, detailed analysis, including annotation-wise and record-wise failure analysis, is conducted to characterize model behavior across diverse ECG morphologies and rhythm patterns and to explain missed detections. In several cases, apparent misclassifications may correspond to early or subtle anomaly patterns labeled as normal in the reference annotations, highlighting the model's sensitivity. A refined evaluation by filtering out ambiguous cases in the dataset shows that the best-performing DNN-based autoencoder achieves a recall of 84%, an F1-score of 79%, a model size of approximately 180 KB, and an inference latency of 9 ms on-device. These results demonstrate the feasibility of low-power, privacy-preserving embedded wearable systems capable of performing accurate arrhythmia detection entirely on-device.