arXiv:2604.06398v2 Announce Type: replace
Abstract: Global ocean models exhibit biases in the mean state and variability, particularly at coarse resolution, where mesoscale eddies are unresolved. To address these biases, parameterization coefficients are typically tuned ad hoc. Here, we formulate parameter tuning as a calibration problem using Ensemble Kalman Inversion (EKI). We optimize parameters of a neural network parameterization of mesoscale eddies in two idealized ocean models at coarse resolution. The calibrated parameterization reduces errors by factors of 1.7-3.3 in the time-averaged fluid interfaces and their variability compared to the unparameterized model, depending on the metric and configuration. The EKI method is robust to noise in time-averaged statistics arising from chaotic ocean dynamics. Furthermore, we propose an efficient calibration protocol that bypasses integration to statistical equilibrium by carefully choosing an initial condition. These results demonstrate that systematic calibration can substantially improve coarse-resolution ocean simulations and provide a practical pathway for reducing biases in global ocean models.
Science Journals
arXiv:2604.14215v2 Announce Type: replace
Abstract: To address the unsustainable rise in public health expenditures, the Hong Kong SAR Government is shifting its strategic focus to primary healthcare and encouraging citizens to use community resources to self-manage their health. However, official clinical guidelines are fragmented across disparate departments and formats, creating significant access barriers. While general-purpose Large Language Models (LLMs) such as ChatGPT and DeepSeek offer potential solutions for information accessibility, they are prone to generating factually inaccurate content due to a lack of localized and domain-specific knowledge. To this end, we propose a Retrieval-Augmented Generation-Enhanced LLM system as Primary Healthcare Assistant (PriHA) in Hong Kong. Specifically, a tri-stage pipeline is proposed that leverages a query optimizer to generalize user intent-oriented sub-queries, followed by a novel Dual Retrieval Augmented Generation (DRAG) architecture for mixed-source retrieval and context-reorganized generation. Comprehensive experiments and a detailed case study demonstrate that our proposed method can outperform both ablations and baseline in terms of accuracy and clarity. Our research provides a reliable and traceable dialogue retrieval framework for exploring other high-risk, localized application scenarios.
arXiv:2604.22282v2 Announce Type: replace
Abstract: Knowledge Graph-based Question Answering (KGQA) plays a pivotal role in complex reasoning tasks but remains constrained by two persistent challenges: the structural heterogeneity of Knowledge Graphs(KGs) often leads to semantic mismatch during retrieval, while existing reasoning path retrieval methods lack a global structural perspective. To address these issues, we propose Structure-Tracing Evidence Mining (STEM), a novel framework that reframes multi-hop reasoning as a schema-guided graph search task. First, we design a Semantic-to-Structural Projection pipeline that leverages KG structural priors to decompose queries into atomic relational assertions and construct an adaptive query schema graph. Subsequently, we execute globally-aware node anchoring and subgraph retrieval to obtain the final evidence reasoning graph from KG. To more effectively integrate global structural information during the graph construction process, we design a Triple-Dependent GNN (Triple-GNN) to generate a Global Guidance Subgraph (Guidance Graph) that guides the construction. STEM significantly improves both the accuracy and evidence completeness of multi-hop reasoning graph retrieval, and achieves State-of-the-Art performance on multiple multi-hop benchmarks.
arXiv:2604.24763v2 Announce Type: replace
Abstract: Unified multimodal models typically rely on pretrained vision encoders and use separate visual representations for understanding and generation, creating misalignment between the two tasks and preventing fully end-to-end optimization from raw pixels. We introduce Tuna-2, a native unified multimodal model that performs visual understanding and generation directly based on pixel embeddings. Tuna-2 drastically simplifies the model architecture by employing simple patch embedding layers to encode visual input, completely discarding the modular vision encoder designs such as the VAE or the representation encoder. Experiments show that Tuna-2 achieves state-of-the-art performance in multimodal benchmarks, demonstrating that unified pixel-space modelling can fully compete with latent-space approaches for high-quality image generation. Moreover, while the encoder-based variant converges faster in early pretraining, Tuna-2's encoder-free design achieves stronger multimodal understanding at scale, particularly on tasks requiring fine-grained visual perception. These results show that pretrained vision encoders are not necessary for multimodal modelling, and end-to-end pixel-space learning offers a scalable path toward stronger visual representations for both generation and perception.
arXiv:2605.02075v2 Announce Type: replace
Abstract: Reinforcement learning (RL) has been widely applied to dynamic routing, modulation and spectrum assignment (RMSA) in optical networks, yet no prior work has trained a transformer model for this task. We attribute this to the high data and compute requirements of transformers and potential training instabilities with RL. We address this gap by combining recent advances from the machine learning literature (rotary positional encodings for graph-structured data, off-policy invalid action masking, and valid mass regularization) with GPU-accelerated simulation to achieve, for the first time, stable RL training of a transformer for dynamic RMSA. We demonstrate, through systematic benchmarking against previous RL methods and heuristic algorithms, that ours is the first RL method to exceed all benchmarks, increasing the supportable traffic load by up to 13%. To demonstrate the scalability of our approach, we train on real network topologies from the TopologyBench database up to 143 nodes and 362 links, with 320 x 12.5 GHz frequency slot units per link, and 100 Gbps traffic requests. To our knowledge, these are the largest dynamic RMSA problems to which RL has been applied. We find up to 4% increased traffic load can be supported at low blocking probability (<0.1%) with our method compared to the best available benchmark algorithm. We present an ablation study of the components of our training algorithm, the dynamics of the loss function during training, and analyze the allocation decisions of the trained models. We make all code used to produce this paper openly available for reproduction and future benchmarking: https://github.com/micdoh/XLRON.
arXiv:2605.17367v1 Announce Type: new
Abstract: Different from existing cross-modality identification tasks (e.g., heterogeneous face recognition, sketch re-identification, etc.), we introduce a novel yet practical setting for these related identification tasks, named \textbf{sketch biometric identification}, which aims to continually train a unified model across different data domains, even diverse identification tasks. Sketch biometric identification faces challenges, including scarce real sketch data, high annotation costs, privacy risks, and insufficient generalization ability of cross-task models. Existing methods usually rely on limited real data or single-task optimization, making it difficult to effectively address the joint challenges of cross-modality and cross-task. This paper proposes a unified framework that integrates efficient synthetic sketch generation and task-sequential continual learning. First, we design an efficient pipeline to generate a large-scale and high-quality synthetic person and face sketch data, which significantly reduces costs and avoids privacy risks. Meanwhile, we enhance the model's robustness by fusing real data. Second, we construct a universal unified framework for sketch biometric identification, which adopts a task-sequential training strategy: the model first completes sketch person re-identification learning on the person dataset; subsequently, it maintains the acquired person recognition capability through a trusted sample replay technique and seamlessly performs incremental training on the face dataset. This enables a single model to simultaneously handle the cross-task capabilities of multiple sketch biometric identification tasks. To support the study of the mentioned sketch biometric identification, we built a new large-scale benchmark, SketchUnified-BioID, with several practical evaluation protocols.
arXiv:2605.15377v2 Announce Type: replace
Abstract: As AI systems are increasingly deployed in autonomous agentic settings at scale, it is important to ensure the actions they take are safe and aligned with user intent. Monitoring agent actions is a key safety mechanism, yet reliable monitors remain difficult to build and the scale of these systems makes human oversight impractical. We show that combining signals from diverse monitors into an ensemble improves detection of misaligned actions. We build 12 GPT-4.1-Mini monitors using both prompting and fine-tuning strategies. We evaluate them on coding tasks where candidate solutions pass standard tests but fail on adversarial inputs. In this setting, diverse ensembles outperform both individual monitors and homogeneous ensembles. Our best 3-monitor ensemble achieves 2.4x greater detection performance gain compared to an ensemble composed of three identical monitors, with the same ensemble performing strongly on an independent dataset. We contend that these results show that diversity - not scale - drives gains. The best ensembles combine strong individual performance with low correlation between monitors. Furthermore, fine-tuned monitors appear in every top-performing ensemble and maintain this advantage on out-of-distribution attack types, suggesting that fine-tuning enables detection capabilities that prompting alone does not elicit. These results support ensemble monitoring as a practical AI control strategy for safety gains at reasonable inference costs.
arXiv:2605.17368v1 Announce Type: new
Abstract: Anatomical structure labels for chest radiographs are essential for medical image segmentation and a broad range of downstream diagnostic tasks. However, annotating anatomy directly on 2D chest radiographs is labor-intensive and intrinsically ambiguous, as 3D anatomical structures are projected onto a single 2D plane where boundaries may overlap, be occluded, or appear only partially visible. Consequently, existing anatomy-labeled chest radiograph datasets remain limited in scale, anatomy coverage, and label reliability. To address these limitations, we introduce RadGenome-Anatomy, the largest anatomy-labeled chest radiograph dataset, containing over 10 million segmentation masks across 210 anatomical structures in 25,692 studies. It is constructed by projecting large-scale 3D anatomical masks from CT volumes into 2D radiographic space through canonical radiographic geometry. This shifts annotation from directly tracing uncertain 2D boundaries to defining anatomy in volumetric space, where structures that overlap or become partially invisible in radiographs remain spatially separable. As a result, each 2D mask represents the physically grounded projected footprint of a volumetrically defined structure. The scale and broad anatomical coverage of RadGenome-Anatomy, including structures that are overlapping, partially visible, or difficult to delineate directly, enable research on geometric measurements as explicit evidence for chest radiograph interpretation. We demonstrate this by training XAnatomy to predict structure-specific masks and derive clinically relevant measurements, achieving diagnostic accuracies of 96.4%, 95.6%, and 89.2% for cardiomegaly, kyphosis, and scoliosis, respectively.
arXiv:2505.11143v2 Announce Type: replace-cross
Abstract: Sparse linear regression is a fundamental tool in data analysis. However, traditional approaches often fall short when covariates exhibit structure or arise from heterogeneous sources. In biomedical applications, covariates may stem from distinct modalities or be structured according to an underlying graph. We introduce \textit{Neural Adaptive Shrinkage} (Nash), a unified framework that integrates covariate-specific side information into sparse regression via neural networks. Nash adaptively modulates penalties on a per-covariate basis, learning to tailor regularization without cross-validation. We use a \textit{split variational empirical Bayes} algorithm that decouples prior learning from posterior inference, reducing the M-step from $\mathcal{O}(p) $ neural-network passes per sweep to a single batched pass, a \textit{74 to 106x wall-clock speedup} over previously proposed coordinate ascent CAVI for p between $10^2$ and $10^4$. Experiments on real data demonstrate that Nash improves accuracy and adaptability over existing methods.
arXiv:2512.23178v3 Announce Type: replace-cross
Abstract: Optimization under heavy-tailed noise has become popular recently, since it better fits many modern machine learning tasks, as captured by empirical observations. Concretely, instead of a finite second moment on gradient noise, a bounded ${\frak p}$-th moment where ${\frak p}\in(1,2]$ has been recognized to be more realistic (say being upper bounded by $\sigma_{\frak l}^{\frak p}$ for some $\sigma_{\frak l}\ge0$). A simple yet effective operation, gradient clipping, is known to handle this new challenge successfully. Specifically, Clipped Stochastic Gradient Descent (Clipped SGD) guarantees a high-probability rate ${\cal O}(\sigma_{\frak l}\ln(1/\delta)T^{1/{\frak p}-1})$ (resp. ${\cal O}(\sigma_{\frak l}^2\ln^2(1/\delta)T^{2/{\frak p}-2})$) for nonsmooth convex (resp. strongly convex) problems, where $\delta\in(0,1]$ is the failure probability and $T\in\mathbb{N}$ is the time horizon. In this work, we provide a refined analysis for Clipped SGD and offer two rates, ${\cal O}(\sigma_{\frak l}d_{\rm eff}^{-1/2{\frak p}}\ln^{1-1/{\frak p}}(1/\delta)T^{1/{\frak p}-1})$ and ${\cal O}(\sigma_{\frak l}^2d_{\rm eff}^{-1/{\frak p}}\ln^{2-2/{\frak p}}(1/\delta)T^{2/{\frak p}-2})$, faster than the aforementioned best results, where $d_{\rm eff}\ge1$ is a quantity we call the $\textit{generalized effective dimension}$. Our analysis improves upon the existing approach on two sides: better utilization of Freedman's inequality and finer bounds for clipping error under heavy-tailed noise. In addition, we extend the refined analysis to convergence in expectation and obtain new rates that break the known lower bounds. Lastly, to complement the study, we establish new lower bounds for both high-probability and in-expectation convergence. Notably, the in-expectation lower bounds match our new upper bounds, indicating the optimality of our refined analysis for convergence in expectation.
arXiv:2601.06858v2 Announce Type: replace-cross
Abstract: Future wireless communication systems will increasingly rely on the integration of millimeter wave (mmWave) and sub-6 GHz bands to meet heterogeneous demands on high-speed data transmission and extensive coverage. To fully exploit the benefits of mmWave bands in massive multiple-input multiple-output (MIMO) systems, highly accurate channel state information (CSI) is required. However, directly estimating the mmWave channel demands substantial pilot overhead due to the large CSI dimension and low signal-to-noise ratio (SNR) led by severe path loss and blockage attenuation. In this paper, we propose an efficient \textbf{M}ulti-\textbf{D}omain \textbf{F}usion \textbf{C}hannel \textbf{E}xtrapolator (MDFCE) to extrapolate sub-6 GHz band CSI to mmWave band CSI, so as to reduce the pilot overhead for mmWave CSI acquisition in dual band massive MIMO systems. Unlike traditional channel extrapolation methods based on mathematical modeling, the proposed MDFCE combines the mixture-of-experts framework and the multi-head self-attention mechanism to fuse multi-domain features of sub-6 GHz CSI, aiming to characterize the mapping from sub-6 GHz CSI to mmWave CSI effectively and efficiently. The simulation results demonstrate that MDFCE can achieve superior performance with less training pilots compared with existing methods across various antenna array scales and signal-to-noise ratio levels while showing a much higher computational efficiency.
arXiv:2602.14959v2 Announce Type: replace-cross
Abstract: Anomalous local photocurrent generation via second-order nonlinear and thermoelectric responses is a signature of many topological semimetals. The emergence of these photocurrents is inherently linked to symmetry breaking and anisotropy of their crystal lattices. Studies of type-II Weyl semimetals of group C$_{2v}$ (WTe$_2$, MoTe$_2$, TaIrTe$_4$) have reported anomalous, nonlocal photocurrents localized to crystals edges or far from electrodes, which are highly dependent on the geometry of the material sample. While originally attributed to a nonlinear charge current response, it was recently shown that these currents could instead be attributed to the anisotropic Seebeck coefficients of the materials. Here, we confirm that anomalous photocurrents observed in TaIrTe$_4$ under either visible or far-infrared far-field illumination originate from the large transverse thermoelectric effect. We engineer the mutual orientation of crystal edges and electrodes as well as the thermal environment of TaIrTe$_4$ to control and amplify its spatial photocurrent response. We show that substrate engineering can locally enhance photocurrent. This framework of thermal device engineering can enable broadband photo detection schemes by leveraging spectral and spatial dependence of photocurrents for applications like wavefront sensing, beam positioning, and edge detection.
arXiv:2605.01127v2 Announce Type: replace-cross
Abstract: Partitioning transportation networks into balanced and spatially coherent traffic zones is a fundamental yet computationally challenging task in intelligent transportation systems. The resulting optimization problem exhibits dense interactions among decision variables and can be formulated as a Quadratic Unconstrained Binary Optimization (QUBO) model. While quantum optimization naturally aligns with such quadratic energy representations, current noisy intermediate-scale quantum hardware imposes limitations on problem size, connectivity, and circuit reliability. This paper proposes an impact-driven hybrid quantum--classical optimization framework for traffic zone partitioning that bridges transportation-scale optimization models and practical gate-based quantum processors. Instead of static geographic decomposition, the method estimates the energy impact of decision variables and selectively assigns quantum computation to influential subproblems while a classical coordination loop maintains global feasibility. The framework is implemented using the Iskay optimizer and evaluated on the IBM Quantum System One backend. Experiments compare direct quantum optimization, classical iterative SubQUBO refinement, and the proposed hybrid approach. Results show that impact-guided decomposition improves convergence behavior and produces more coherent spatial partitions relative to classical refinement, while remaining consistent with hardware constraints. Although the hybrid method does not outperform the best direct quantum solution, it demonstrates a practical pathway toward scalable hybrid optimization for transportation applications under current quantum hardware conditions.
arXiv:2605.18333v1 Announce Type: cross
Abstract: Accurate and efficient time-series forecasting remains a challenging problem for both classical and quantum neural architectures, particularly in multivariate environmental settings. This work adapts the Quantum Leaky Integrate-and-Fire (QLIF) spiking neural network for time-series regression tasks, specifically short-term multivariate weather forecasting. We extend QLIF beyond classification and demonstrate its applicability to continuous-valued prediction problems.
The QLIF-CAST model encodes neuron excitation states as single-qubit quantum superpositions, driven by Rx rotation gates and T1 relaxation decay, and is embedded within a hybrid quantum-classical recurrent architecture. We conduct two distinct evaluations. First, a controlled comparison against a parameter-matched classical LIF baseline on a multivariate weather dataset shows that QLIF-CAST achieves 15.4% lower MSE and 4.4% lower MAE, demonstrating that quantum neuronal dynamics reduce prediction error over classical equivalents. Second, a cross-domain comparative analysis with state-of-the-art quantum LSTM (QLSTM) and quantum neural network (QNN) models on air quality and wind speed benchmarks reveals that QLIF-CAST converges in up to 94% less training time, occupying a distinct position in the speed-error trade-off space. Hardware verification on IBM Marrakesh (156-qubit QPU) confirms reliable circuit execution with only 1.2% average deviation from simulation.
arXiv:2605.17374v1 Announce Type: new
Abstract: The notion of software languages subsumes programming languages, modeling languages, and yet many other types of languages used in software engineering. The emerging ontology `Foundations of Software Languages' (FSL) organizes the foundations underlying software languages. We are concerned with language categories, language concepts, associated tools and methodological approaches, the formal systems or other formal entities underlying software languages, and the embedding of software languages into into software engineering activities. The primary objective of FSL is to serve as a knowledge resource in Computer Science education by connecting several subject areas in a principled manner. The first release of FSL (V1), as discussed in this paper, was built through a relatively standard methodology involving common steps for expectations, reuse, conceptualization, formalization, and validation. We leveraged GenAI to support ontology engineering (discovery, classification, linkage, completion, and transformation).
arXiv:2605.18338v1 Announce Type: cross
Abstract: Champion recommendation in multiplayer online battle arena games is usually framed informally as a problem of metagame strength, personal comfort, or global win rate. We formalize champion recommendation in League of Legends as an interpretable, player-conditional ranking problem under sparse, noisy, and non-stationary behavioral data. The proposed framework combines four information sources: a population-strength proxy, player-style similarity, direct and indirect mastery priors, and archetype-level guardrails. The method uses robust median/MAD normalization, logarithmic transforms for skewed event counts, recency-weighted player style vectors, mastery-weighted champion-pool vectors, weighted cosine similarity, rank-scaled score components, and k-means++ clustering for coarse archetype support. The implemented prototype uses a Python/Pandas modeling layer, Supabase-backed storage, and a web-facing recommendation interface. Unlike black-box supervised win-prediction systems, the proposed method returns decomposed recommendation scores that can be inspected as expected-performance proxy, fit, mastery, and archetype compatibility. A single-player case study on a 100-game history for the player identifier DIVINERAINRACCON is included as an end-to-end sanity check. The manuscript is therefore a methods and systems contribution: it specifies a reproducible, modular, and auditable champion recommender and gives a validation protocol for future large-scale evaluation through temporal train-test splits, next-champion recovery, calibration analysis, and ablation studies.
arXiv:2605.18407v1 Announce Type: cross
Abstract: While modern Large Language Models (LLMs) and agentic artificial intelligence (AI) have demonstrated transformative capabilities in digital domains, the realization of embodied AI capable of real-world scientific discovery remains a difficult frontier. The advancements are hindered by the inherent complexity of integrating high-level reasoning, multimodal information processing and real-time physical execution. Here we introduce Qumus, the first AI quantum materials experimentalist. Physically embodied within a robotic mini-laboratory, Qumus is an intelligent, multimodal, and multi-agent system designed for the creation and nano-processing of atomically thin two-dimensional (2D) materials and stacked van der Waals (vdW) structures. Qumus autonomously navigates the full scientific cycle, from hypothesis generation and protocol planning to multi-step experimental execution, result analysis and reporting, acting as an experimentalist. Markedly, the system has achieved, for the first time, the AI-creation of graphene, as well as the first AI-fabrication of complex nanodevices including atomically thin field-effect transistors via vdW stacking. Qumus excels at these tasks by demonstrating autonomous error correction and closed-loop experimentation. Our results establish a generalizable framework for self-improving embodied AI systems that learn directly from the quantum world, opening a pathway toward accelerated discovery in quantum materials, electronics and beyond.
arXiv:2605.18422v1 Announce Type: cross
Abstract: The functional ANOVA, or Hoeffding decomposition, provides a principled framework for interpretability by decomposing a model prediction into main effects and higher-order interactions. For independent inputs, this classical decomposition is explicit. It is closely connected to SHAP values, generalized additive models, and orthogonal polynomial expansions, and therefore constitutes a fundamental tool for additive explainability. In the more general and realistic dependent setting, however, obtaining a tractable representation and estimating the decomposition from data remain challenging. In this work, we address this problem for continuous inputs. By combining Hilbert space methods with the generalized functional ANOVA, we build an explicit decomposition Riesz Basis allowing to easily compute the decomposition. Our formulation recovers the classical independent case and its associated orthogonal decomposition. Building on this representation, we propose a simple but mighty algorithm to estimate the decomposition from a data sample in a model-agnostic setting and we compare it empirically with several state-of-the-art explanation methods, demonstrating the power of the approach.
arXiv:2605.18473v1 Announce Type: cross
Abstract: Electric double-layer capacitors (EDLCs), consisting of an ionic fluid between two metallic electrodes, are electrochemical energy storage devices complementary to batteries, allowing for a faster charge/discharge. The charging dynamics in response to a voltage step features a variety of regimes and relaxation timescales, depending on the applied voltage and the various lengths characterizing the system, most importantly the inter-electrode distance and the Debye length over which electrostatic effects are screened in the electrolyte. Inspired by recent works on "shortcut to adiabaticity" in colloidal systems, here we investigate the possibility to control the charge and discharge of planar EDLCs using time-dependent voltages. Specifically, our aim is to achieve a full charge or discharge within a finite time shorter than their intrinsic relaxation timescales. Within the Poisson-Nernst-Planck model and the small-voltage regime, we derive time-dependent protocols that can eliminate an arbitrary number of relaxation modes. This permits to approach the equilibrium charged state within a finite time, that can be in practice an order of magnitude faster than the natural equilibration time. We illustrate the relevance and efficacy of the method on polynomial drivings and show that the surface charge density, charge-density profiles, and global deviation from equilibrium (quantified by a Kullback-Leibler-like divergence) can all be significantly accelerated, even for driving times comparable to or shorter than the natural RC time of the system.
arXiv:2605.18569v1 Announce Type: cross
Abstract: The computation of electronic excited states and real-time quantum dynamics of many-fermion systems is among the most promising applications of near-term quantum computing. In this work, we generalize the reinforcement learning contracted quantum eigensolver (RL-CQE), previously developed for ground-state problems, to electronic excited states and real-time quantum dynamics, in which a deep Q-network agent adaptively selects the two-body operators at each iteration, yielding more compact ans\"{a}tze and improved robustness with respect to critical hyperparameters. A key feature of the algorithm is a scalable state representation based on the ACSE residuals, whose dimension grows with the one-particle basis but remains independent of the number of targeted excited states. We also verify the equivalence of sign-free qubit operators in the excited-state setting, extending a result previously established for ground-state problems. Our RL-CQE for time evolution derives from a constant-scaling ansatz that represents the wave function with a fixed number of unitary transformations independent of simulation time $t$, enabled by the shared unitary structure of the purified ensemble treatment of excited states. Benchmarks on chemical systems demonstrate chemical accuracy with minimal operator counts across a range of bond lengths.
arXiv:2605.18575v1 Announce Type: cross
Abstract: Triangular-lattice systems attract a lot of attention due to various frustration-induced and strongly correlated effects. Here, we focus on the charge-ordering phenomenon by means of investigation of the extended Hubbard model with dynamical mean-field theory (DMFT). By considering the intersite nearest-neighbor interaction we have found a very rich phase diagram that contains large number of features, phases, and phase transitions. Among them are pinball-liquid (PL) phases where we distinguish charge-transfer-driven and Mott-localization-driven PLs; phase transitions that change their order as model parameters evolve (from discontinuous to continuous); very strong particle-hole asymmetry. Various features of the phase diagram are found to be better understood by means of the simple mean-field approximation (MFA). Moreover, besides helping with interpretation of the phase diagram, the MFA results together with results for the atomic-limit model are found to be able to set rather good expectations on how the DMFT phase diagram should look like. Nevertheless, a few features were not expected and are found within the DMFT, such as a small-region intermediate metallic phase on an electron-doped side of the phase diagram.
arXiv:2511.07329v4 Announce Type: replace
Abstract: This paper proposes FractalNet, a framework based on fractal design principles that automatically generates and evaluates convolutional neural network (CNN) architectures using recursive template patterns. Rather than relying on computationally expensive Neural Architecture Search (NAS) methods, the framework explores a structured architecture space defined by recursive fractal templates that systematically vary key parameters such as fractal depth, column width, and layer configurations. The framework consists of three core components: a generator that produces candidate architectures via controlled permutations of convolutional, normalization, activation, and dropout layers; a fractal template module that enforces recursive multi-path structural patterns; and a runner module that manages model training, evaluation, and logging. Using this system, over 1,200 distinct CNN architectures were automatically generated and evaluated on the CIFAR-10 image classification benchmark. Training was performed in PyTorch using stochastic gradient descent with Automatic Mixed Precision (AMP) and gradient checkpointing to reduce computational overhead. Experimental results demonstrate that fractal-based architectures exhibit stable training dynamics and achieve competitive performance, with an average validation accuracy of 60-70% and a peak accuracy of 80.18% after only five training epochs. These findings suggest that recursive fractal structures provide an effective means of balancing network depth and width while supporting large-scale automated architecture exploration. The proposed framework offers a resource-efficient and interpretable approach to systematic neural architecture experimentation.
arXiv:2601.01155v3 Announce Type: replace
Abstract: Existing methods for multi-agent navigation typically assume fully known environments, offering limited support for partially known scenarios with outdated or imperfect prior maps, such as warehouses or factory floors. There, agents need to balance path optimality with collecting and sharing environmental information to help teammates reach their own targets. To these ends, we propose ORION, a novel deep reinforcement learning framework for cooperative multi-agent online navigation in partially known environments. Starting from an imperfect prior map, ORION trains agents to make decentralized decisions, coordinate toward individual targets, and actively reduce task-relevant map uncertainty through online observation sharing in a closed perception-action loop. We first design a shared graph encoder that fuses prior map with online perception into a unified representation, providing robust state embeddings under environmental discrepancies. At the core of ORION is an option-critic framework that learns high-level cooperative modes translated into sequences of low-level actions, enabling adaptive switching between individual navigation and team-level exploration. We further introduce a dual-stage cooperation strategy that allows agents to assist teammates under map uncertainty, thereby reducing the overall makespan. Across extensive maze-like maps and large-scale warehouse environments, ORION achieves high-quality real-time decentralized cooperation while scaling to up to 10 robots, outperforming state-of-the-art classical and learning-based baselines. Finally, we validate ORION on physical robot teams, demonstrating its robustness and practicality for real-world cooperative navigation.
arXiv:2601.02071v3 Announce Type: replace
Abstract: Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and process development, drastically transforming current approaches to pharmaceutical 3D printing. To date, most AI-driven efforts remain narrowly focused, while failing to account for the broader formulation challenges inherent to the technology. Recent advances in AI have introduced artificial general intelligence concepts, wherein systems extend beyond conventional predictive modelling toward more generalised, human-like reasoning. In this work, we investigate the application of large language models (LLMs), fine-tuned on a fused deposition modelling (FDM) dataset comprising over 1400 formulations, to recommend suitable excipients based on active pharmaceutical ingredient (API) dose, and predict filament mechanical properties. Four LLM architectures were fine-tuned, with systematic evaluation of both fine-tuning and generative parameter configurations. Our results demonstrate that Llama2 was best suited for recommending excipients for FDM formulations. Additionally, model selection and parameterisation significantly influence performance, with smaller LLMs exhibiting instances of catastrophic forgetting. Furthermore, we demonstrate: (i) even with relatively small dataset of over 1400 formulations, it can lead to model catastrophic forgetting; (ii) standard LLM metrics only evaluate linguistic performance but not formulation processability; and (iii) LLMs trained on biomedically-related data do not always produce the best results. Addressing these challenges is essential to advancing LLMs beyond linguistic proficiency and toward reliable systems for pharmaceutical formulation development.
arXiv:2602.02039v2 Announce Type: replace
Abstract: The agency expected of Agentic Large Language Models goes beyond answering correctly, requiring autonomy to set goals and decide what to explore. We term this investigatory intelligence, distinguishing it from executional intelligence, which merely completes assigned tasks. Data Science provides a natural testbed, as real-world analysis starts from raw data rather than explicit queries, yet few benchmarks focus on it. To address this, we introduce Deep Data Research (DDR), an open-ended task where LLMs autonomously extract key insights from databases, and DDR-Bench, a large-scale, checklist-based benchmark that enables verifiable evaluation. Results show that while frontier models display emerging agency, long-horizon exploration remains challenging. Our analysis highlights that effective investigatory intelligence depends not only on agent scaffolding or merely scaling, but also on intrinsic strategies of agentic models.