Rare events such as conformational changes in biomolecules, phase transitions, and chemical reactions are central to the behavior of many physical systems, yet they are extremely difficult to study computationally because unbiased simulations seldom produce them. Transition Path Theory (TPT) provides a rigorous statistical framework for analyzing such events: it characterizes the ensemble of reactive trajectories between two designated metastable states (reactant and product), and its central object--the committor function, which gives the probability that the system will next reach the product rather than the reactant--encodes all essential kinetic and thermodynamic information. We introduce a framework that casts committor estimation as a stochastic optimal control (SOC) problem. In this formulation the committor defines a feedback control--proportional to the gradient of its logarithm--that actively steers trajectories toward the reactive region, thereby enabling efficient sampling of reactive paths. To solve the resulting hitting-time control problem we develop two complementary objectives: a direct backpropagation loss and a principled off-policy Value Matching loss, for which we establish first-order optimality guarantees. We further address metastability, which can trap controlled trajectories in intermediate basins, by introducing an alternative sampling process that preserves the reactive current while lowering effective energy barriers. On benchmark systems, the framework yields markedly more accurate committor estimates, reaction rates, and equilibrium constants than existing methods.

Artificial agents can be made to ``help'' through explicit social rewards, hard-coded prosocial bonuses, or direct access to another agent's state. I isolate a narrower route: homeostatic coupling. Building on ReCoN-Ipsundrum, I add a scalar homeostat and a social coupling channel while keeping action selection self-directed: the planner scores only the actor's predicted internal state, with no partner-welfare reward. In a one-step FoodShareToy, an exact solver finds a switch from EAT to PASS at $λ^\star \approx 0.91$ for the default state. In a multi-step SocialCorridorWorld, partner-state access without coupling leaves behavior unchanged, whereas coupled agents fetch, carry, and pass food to the partner. Sham lesions preserve helping; coupling-off and shuffled-partner lesions abolish it. A coupling/load sweep shows that coupling creates a low-load helping regime but does not guarantee rescue under higher metabolic load. This is not a claim about empathy, altruism, consciousness, or moral status. It is a minimal ALife demonstration that, in this controller, partner-state access is behaviorally inert unless partner distress is routed into self-regulation.

We present mlr3mbo, a modular toolbox for Bayesian optimization in R. mlr3mbo supports single- and multi-objective optimization, multi-point proposals, batch and asynchronous parallelization, and robust error handling. While it can be used for many standard Bayesian optimization variants in applied settings, researchers can also construct custom Bayesian optimization algorithms from its flexible building blocks. In addition to an introduction to the software, its design principles, and its building blocks, the paper presents two extensive empirical evaluations on the surrogate-based benchmark suite YAHPO Gym. To identify robust default configurations for both numeric and mixed-hierarchical optimization regimes, and to gain further insights into the respective impacts of individual settings, we run a coordinate descent search over the mlr3mbo configuration space and analyze its results. Furthermore, we benchmark mlr3mbo against a wide range of established optimizers, including HEBO, SMAC3, Ax, and Optuna, and find that it performs on par with state-of-the-art.

Fair top-$k$ selection, which ensures appropriate proportional representation of members from minority or historically disadvantaged groups among the top-$k$ selected candidates, has drawn significant attention. We study the problem of finding a fair (linear) scoring function with multiple protected groups while also minimizing the disparity from a reference scoring function. This generalizes the prior setup, which was restricted to the single-group setting without disparity minimization. Previous studies imply that the number of protected groups may have a limited impact on the runtime efficiency. However, driven by the need for experimental exploration, we find that this implication overlooks a critical issue that may affect the fairness of the outcome. Once this issue is properly considered, our hardness analysis shows that the problem may become computationally intractable even for a two-dimensional dataset and small values of $k$. However, our analysis also reveals a gap in the hardness barrier, enabling us to recover the efficiency for the case of small $k$ when the number of protected groups is sufficiently small. Furthermore, beyond measuring disparity as the "distance" between the fair and the reference scoring functions, we introduce an alternative disparity measure$\unicode{x2014}$utility loss$\unicode{x2014}$that may yield a more stable scoring function under small weight perturbations. Through careful engineering trade-offs that balance implementation complexity, robustness, and performance, our augmented two-pronged solution demonstrates strong empirical performance on real-world datasets, with experimental observations also informing algorithm design and implementation decisions.

Recent advances in generative recommendation have leveraged pretrained LLMs by formulating sequential recommendation as autoregressive generation over a unified token space comprising language tokens and itemic identifiers, where each item is represented by a compact sequence of discrete tokens, namely Semantic IDs (SIDs). This SID-based formulation enables efficient decoding over large-scale item corpora and provides a natural interface for LLM-based recommenders to leverage rich world knowledge. Meanwhile, breakthroughs in LLM reasoning motivate reasoning-enhanced recommendation, yet effective reasoning over SIDs remains underexplored and challenging. Itemic tokens are not natively meaningful to LLMs; moreover, recommendation-oriented SID reasoning is hard to evaluate, making high-quality supervision scarce. To address these challenges, we propose SIDReasoner, a two-stage framework that elicits reasoning over SIDs by strengthening SID--language alignment to unlock transferable LLM reasoning, rather than relying on large amounts of recommendation-specific reasoning traces. Concretely, SIDReasoner first enhances SID-language alignment via multi-task training on an enriched SID-centered corpus synthesized by a stronger teacher model, grounding itemic tokens in diverse semantic and behavioral contexts. Building on this enhanced alignment, SIDReasoner further improves recommendation reasoning through outcome-driven reinforced optimization, which guides the model toward effective reasoning trajectories without requiring explicit reasoning annotations. Extensive experiments on three real-world datasets demonstrate the effectiveness of our reasoning-augmented SID-based generative recommendation. Beyond accuracy, the results highlight the broader potential of large reasoning models for generative recommendation, including improved interpretability and cross-domain generalization.

Generative artificial intelligence (GenAI) tools such as ChatGPT have attracted growing attention in higher education, particularly in relation to how students perceive their usefulness, usability, and educational value. This study develops an exploratory Monte Carlo simulation framework for quantifying perception-based student success in the context of GenAI use. A PRISMA-informed structured literature search in Scopus identified nineteen empirical studies published between 2023 and 2025, of which six reported item-level means and standard deviations suitable for probabilistic modelling. One coherent 10-item, 5-point Likert-scale usability-oriented instrument was selected as a canonical proof-of-concept dataset and used to parameterise an inverse-variance-weighted Monte Carlo simulation generating 10,000 synthetic observations. The results show that the weighting structure substantially influences the simulated outcome, with System Efficiency and Learning Burden receiving the largest inverse-variance weight and therefore the strongest influence on the composite score. The study offers a transparent, reproducible, and privacy-preserving proof-of-concept framework linking structured literature search, item-level summary statistics, and probabilistic modelling.

AI-powered answer engines are inherently non-deterministic: identical queries submitted at different times can produce different responses and cite different sources. Despite this stochastic behavior, current approaches to measuring domain visibility in generative search typically rely on single-run point estimates of citation share and prevalence, implicitly treating them as fixed values. This paper argues that citation visibility metrics should be treated as sample estimators of an underlying response distribution rather than fixed values. We conduct an empirical study of citation variability across three generative search platforms--Perplexity Search, OpenAI SearchGPT, and Google Gemini--using repeated sampling across three consumer product topics. Two sampling regimes are employed: daily collections over nine days and high-frequency sampling at ten-minute intervals. We show that citation distributions follow a power-law form and exhibit substantial variability across repeated samples. Bootstrap confidence intervals reveal that many apparent differences between domains fall within the noise floor of the measurement process. Distribution-wide rank stability analysis further demonstrates that citation rankings are unstable across samples, not only among top-ranked domains but throughout the frequently cited domain set. These findings demonstrate that single-run visibility metrics provide a misleadingly precise picture of domain performance in generative search. We argue that citation visibility must be reported with uncertainty estimates and provide practical guidance for sample sizes required to achieve interpretable confidence intervals.

Functional ANOVA offers a principled framework for interpretability by decomposing a model's prediction into main effects and higher-order interactions. For independent features, this decomposition is well-defined, strongly linked with SHAP values, and serves as a cornerstone of additive explainability. However, the lack of an explicit closed-form expression for general dependent distributions has forced practitioners to rely on costly sampling-based approximations. We completely resolve this limitation for categorical inputs. By bridging functional analysis with the extension of discrete Fourier analysis, we derive a closed-form decomposition without any assumption. Our formulation is computationally very efficient. It seamlessly recovers the classical independent case and extends to arbitrary dependence structures, including distributions with non-rectangular support. Furthermore, leveraging the intrinsic link between SHAP and ANOVA under independence, our framework yields a natural generalization of SHAP values for the general categorical setting.

With the continuous growth of neural network scales, low-precision quantization is widely used in edge accelerators. Classic multi-threshold activation hardware requires 2^n thresholds for $n$-bit outputs, causing a rapid increase in hardware cost as precision increases. We propose a reconfigurable activation hardware, GRAU, based on piecewise linear fitting, where the segment slopes are approximated by powers of two. Our design requires only basic comparators and 1-bit right shifters, supporting mixed-precision quantization and nonlinear functions such as SiLU. Compared with multi-threshold activators, GRAU reduces LUT consumption by over 90%, achieving higher hardware efficiency, flexibility, and scalability. The best trade-off is usually achieved with 6-8 segments, while complex nonlinearities under aggressive low-cost settings may suffer larger accuracy degradation.

Adapting LLM agents to domain-specific tool calling remains notably brittle under evolving interfaces. Prompt and schema engineering is easy to deploy but often fragile under distribution shift and strict parsers, while continual parameter-efficient fine-tuning improves reliability at the cost of training, maintenance, and potential forgetting. We identify a critical Lazy Agent failure mode where tool necessity is nearly perfectly decodable from mid-layer activations, yet the model remains conservative in entering tool mode, revealing a representation-behavior gap. We propose Activation Steering Adapter (ASA), a training-free, inference-time controller that performs a single-shot mid-layer intervention and targets tool domains via a router-conditioned mixture of steering vectors with a probe-guided signed gate to amplify true intent while suppressing spurious triggers. On MTU-Bench with Qwen2.5-1.5B, ASA improves strict tool-use F1 from 0.18 to 0.50 while reducing the false positive rate from 0.15 to 0.05, using only about 20KB of portable assets and no weight updates.

Understanding and modeling human mobility is central to challenges in transport planning, sustainable urban design, and public health. Despite decades of effort, simulating individual mobility remains challenging because of its complex, context-dependent, and exploratory nature. Here, building on the activity-based view of daily mobility, we propose MobilityGen, a diffusion-based generative framework for simulating multi-attribute activity-travel sequences over days to weeks at large spatial scales. By linking behavioral attributes with environmental context, MobilityGen reproduces key patterns such as scaling laws for location visits, activity time allocation, and the coupled evolution of travel mode and destination choices. It reflects spatio-temporal variability and generates diverse and plausible mobility patterns consistent with the built environment. Beyond standard validation, MobilityGen enables analyses that have been difficult with earlier models, including how access to urban space varies across travel modes and how co-presence dynamics shape social exposure and segregation. Together, these results support an integrated, data-driven basis for fine-grained studies of human mobility behavior and its societal implications.

The maximum-entropy remote sampling problem (MERSP) is to select a subset of $s$ random variables from a set of $n$ random variables, so as to maximize the information concerning a set of target random variables that are not directly observable. We assume that the set of all of these random variables follows a joint Gaussian distribution, and that we have the covariance matrix available. Finally, we measure information using Shannon's differential entropy. The main approach for exact solution of moderate-sized instances of MERSP has been branch-and-bound (B\&B), and so previous work concentrated on upper bounds. Prior to our work, there were two upper-bounding methods for MERSP: the so-called ``complementary NLP bound'' and the ``spectral bound'', both introduced 25 years ago. We are able now to establish domination results between these two upper bounds. Further, we propose a novel and effective ``hyper-scaled NLP bound'' (hNLP bound) based on a subtle convex relaxation. The ``complementary'' version of hNLP bound for MERSP generalizes the previous complementary NLP bound for MERSP. We provide theoretical guarantees, giving sufficient conditions under which the complementary hNLP bound strictly dominates the complementary NLP bound. In addition, the hNLP formulation allows us to derive upper bounds for rank-deficient covariance matrices when they satisfy a technical condition. This is in contrast to the previous NLP bound that worked with only positive definite covariance matrices (because it was wedded to a complementary formulation). Additionally, we describe procedures for calculating hyper-scaling parameters. Finally, for B\&B, we provide a variable-fixing methodology and results guiding the best way to construct subproblems. Numerical experiments on benchmark instances demonstrate the effectiveness of our approaches in advancing the algorithmic state-of-the-art for MERSP.

Generative artificial intelligence (GenAI) tools have seen rapid adoption among software developers. While adoption rates in the industry are rising, the underlying factors influencing the effective use of these tools, including the depth of interaction, organizational constraints, and experience-related considerations, have not been thoroughly investigated. This issue is particularly relevant in environments with stringent regulatory requirements, such as Germany, where practitioners must address the GDPR and the EU AI Act while balancing productivity gains with intellectual property considerations. Despite the significant impact of GenAI on software engineering, to the best of our knowledge, no empirical study has systematically examined the adoption dynamics of GenAI tools within the German context. To address this gap, we present a comprehensive mixed-methods study on GenAI adoption among German software engineers. Specifically, we conducted 18 exploratory interviews with practitioners, followed by a developer survey with 109 participants. We analyze patterns of tool adoption, prompting strategies, and organizational factors that influence effectiveness. Our results indicate that experience level moderates the perceived benefits of GenAI tools, and productivity gains are not evenly distributed among developers. Further, organizational size affects both tool selection and the intensity of tool use. Limited awareness of the project context is identified as the most significant barrier. We summarize a set of actionable implications for developers, organizations, and tool vendors seeking to advance artificial intelligence (AI) assisted software development.

Differentiable sparse linear algebra is foundational for scientific machine learning, yet PyTorch lacks a unified library for it: torch.sparse provides only low-level kernels and a non-differentiable, CPU-only spsolve, and torch.linalg is dense-only. We present torch-sla, an open-source library that fills this gap. It exposes a single autograd-aware API for direct, iterative, nonlinear, and eigenvalue solvers across five interchangeable backends -- SciPy and Eigen on CPU, cuDSS, CuPy, and a PyTorch-native iterative solver on GPU -- with automatic dispatch by device and problem size. The library further supports batched solves over shared or distinct sparsity patterns and distributed multi-GPU execution via domain decomposition with halo exchange. These capabilities are made scalable by an O(1)-graph adjoint differentiation framework and an autograd-compatible distributed halo-exchange layer. The library is available at https://www.torchsla.com/.

One-dimensional NMR spectroscopy is one of the most widely used techniques for the characterization of organic compounds and natural products. For molecules with up to 36 non-hydrogen atoms, the number of possible structures has been estimated to range from $10^{20} - 10^{60}$. The task of determining the structure (formula and connectivity) of a molecule of this size using only its one-dimensional $^1$H and/or $^{13}$C NMR spectrum, i.e. de novo structure generation, thus appears completely intractable. Here we show how it is possible to achieve this task for systems with up to 40 non-hydrogen atoms across the full elemental coverage typically encountered in organic chemistry (C, N, O, H, P, S, Si, B, and the halogens) using a deep learning framework, thus covering a vast portion of the drug-like chemical space. Leveraging insights from natural language processing, we show that our transformer-based architecture predicts the correct molecule with 60.4% accuracy within the first 15 predictions using only the $^1$H and $^{13}$C NMR spectra, thus overcoming the combinatorial growth of the chemical space while also being extensible to experimental data via fine-tuning.

Bilevel optimization minimizes an objective function, defined by an upper-level problem whose feasible region is the solution of a lower-level problem. We study the oracle complexity of finding an $ε$-stationary point with first-order methods when the upper-level problem is nonconvex, and the lower-level problem is strongly convex. Recent works (Ji et al., ICML 2021; Arbel and Mairal, ICLR 2022; Chen et al., JMLR 2025) achieve a $\tilde{\mathcal{O}}(\bar κ_y^4 ε^{-2})$ upper bound that is near-optimal in $ε$, which can be reduced to $\tilde{\mathcal{O}}(\bar κ_y^{7/2} ε^{-2})$ by a naive application of Nesterov acceleration in the inner loop, where $\bar κ_y$ is the global condition number. However, the optimal dependency on the condition number is unknown. In this work, we establish a new $Ω(κ_y^{5/2} ε^{-2})$ lower bound, where $κ_y < \bar κ_y$ is the lower-level condition number that is of the same order as $\bar κ_y$ when the smoothness constants are $\mathcal{O}(1)$. Our lower bound establishes the first provable gap in terms of condition number dependency between bilevel problems and minimax problems in this setup. Our lower bounds can be extended to various settings, including high-order smooth functions, stochastic oracles, and convex hyper-objectives: (1) For second-order and arbitrarily smooth problems, we show lower bounds of $Ω({κ_y^{31/14}} ε^{-12/7})$ and $Ω(κ_y^{21/10} ε^{-8/5})$, respectively. (2) For convex-strongly-convex problems, we improve the previously best lower bound (Ji and Liang, JMLR 2022) from $Ω(κ_y /\sqrtε)$ to $Ω(κ_y^{3/2} / \sqrtε)$. (3) For smooth stochastic problems, we also show a lower bound of $Ω(κ_y^4 ε^{-4})$.

Rotation invariance is a fundamental requirement across many computer vision tasks. Historically, this inductive bias has been encoded through hand-crafted rotation-invariant representations. These are compact, interpretable, and fast to compute, but they come at the cost of descriptive power. More recently, architectures achieve inductive bias through learned representations. These are highly descriptive and achieve strong empirical performance, at the cost of efficiency and interpretability. In this work, we propose an alternative at the intersection of both paradigms. We introduce the selective disk bispectrum (SDB), a complex-valued rotation-invariant vector that preserves all information about the image except its orientation. Our key theoretical contributions are the selective disk bispectrum, its inversion, its (reduced) spatial and computational complexities (compared to the full disk bispectrum), and its expectation and variance under noise. Furthermore, we propose a numerical SDB approximation and provide theoretical guarantees for its accuracy and rotation invariance. Empirically, we validate SDB's invariance and robustness to noise classification tasks. We test our reconstruction algorithm on multi-reference alignment of rotated images.

Pancreatic cancer is projected to be the second-deadliest cancer by 2030, making early detection critical. Intraductal papillary mucinous neoplasms (IPMNs), key cancer precursors, present a clinical dilemma, as current guidelines struggle to stratify malignancy risk, leading to unnecessary surgeries or missed diagnoses. Here, we introduce Cyst-X, a multi-center MRI benchmark and a federated learning framework for IPMN malignancy-risk stratification. The dataset comprises 1,461 abdominal MRI scans from 764 patients at seven international centers, with three-tier malignancy labels anchored in histopathology or three-year imaging follow-up and expert pancreas segmentations. The pipeline couples the PanSegNet pancreas segmenter with a 3D DenseNet-121 classifier and a parallel radiomics predictor. On internal cross-validation, the deep learning classifier reached a mean area under the receiver operating characteristic curve (AUC) of 0.85 (95% confidence interval 0.84-0.86) on T2-weighted MRI for high-risk versus low- or no-risk discrimination, with the average precision rising from a prevalence baseline of 0.23 to 0.64. This performance was preserved (AUC 0.85, FedProx) when training was distributed across institutions without exchange of raw patient images. Benchmarked against three blinded radiologists on a 629-case reader subset evaluated under imaging-only conditions, the classifier matched or exceeded sensitivity at comparable specificity. To accelerate research in early pancreatic cancer detection, we publicly release the Cyst-X dataset, segmentation masks, and trained models as the first large-scale, multi-centre MRI resource for pancreatic cystic neoplasm analysis.

Training set sampling methods are used to improve model performance and lower data costs in machine learning problems relevant to chemistry. We introduce Gradient Guided Furthest Point Sampling (GGFPS), a simple extension of Furthest Point Sampling (FPS) that leverages molecular force norms to guide efficient sampling of configurational spaces of molecules. Numerical evidence is presented for a toy system (the Styblinski-Tang function) as well as for molecular dynamics trajectories from the MD17 dataset. Our numerical results indicate superior data efficiency and model robustness when using GGFPS compared to FPS and uniform random sampling (URS), as well as established supervised FPS-style selectors, PCov-FPS and PCov-CUR. Distribution analysis of the MD17 data suggests that FPS systematically under-samples equilibrium geometries, resulting in large test errors for relaxed structures. GGFPS cures this artifact and (i) enables up to twofold reductions in training cost without sacrificing predictive accuracy compared to FPS in the 2-dimensional Styblinski-Tang system, (ii) systematically lowers prediction errors for equilibrium as well as strained structures in MD17, and (iii) systematically decreases prediction error variances across all of the MD17 configuration spaces. These results suggest that gradient-aware sampling methods hold great promise as effective training set selection tools, and that naive use of FPS may result in imbalanced training and inconsistent prediction outcomes.

Existing theory suggests that for linear regression problems categorized by capacity and source conditions, gradient descent (GD) is always minimax optimal, while both ridge regression and online stochastic gradient descent (SGD) are polynomially suboptimal for certain categories of such problems. Moving beyond minimax theory, this work provides instance-wise comparisons of the finite-sample risks for these algorithms on any well-specified linear regression problem. Our analysis yields three key findings. First, GD dominates ridge regression: with comparable regularization, the excess risk of GD is always within a constant factor of that of ridge, but ridge can be polynomially worse even when tuned optimally. Second, GD is incomparable with SGD. While it is known that for certain problems GD can be polynomially better than SGD, the reverse is also true: we construct problems, inspired by benign overfitting theory, where optimally stopped GD is polynomially worse. Finally, GD dominates SGD for a significant subclass of problems -- those with fast and continuously decaying covariance spectra -- which includes all problems satisfying the standard capacity condition.

Combinatorial Optimization problems are widespread in domains such as logistics, manufacturing, and drug discovery, yet their NP-hard nature makes them computationally challenging. Recent Neural Combinatorial Optimization (NCO) methods leverage deep learning to learn policies for constructing solutions, trained via Supervised or Reinforcement Learning. While promising, these approaches often rely on task-specific augmentations, perform poorly on out-of-distribution instances, and lack robust inference mechanisms. Moreover, existing latent space models either require labeled data or use an instance-independent latent distribution. In this work, we propose LGS-Net, a novel latent space model that conditions on problem instances, and introduce an efficient inference method, Latent Guided Sampling (LGS), based on Markov Chain Monte Carlo and Stochastic Approximation. We show that the iterations of our method form a time-inhomogeneous Markov Chain and provide rigorous theoretical convergence guarantees. Empirical results on benchmark routing tasks show that our method achieves state-of-the-art performance among NCO baselines.

The level set estimation problem seeks to identify regions within a set of candidate points where an unknown and costly to evaluate function's value exceeds a specified threshold, providing an efficient alternative to exhaustive evaluations of function values. Traditional methods often use sequential optimization strategies to find $ε$-accurate solutions, which permit a margin around the threshold contour but frequently lack effective stopping criteria, leading to excessive exploration and inefficiencies. This paper introduces an acquisition strategy for level set estimation that incorporates a stopping criterion, ensuring the algorithm halts when further exploration is unlikely to yield improvements, thereby reducing unnecessary function evaluations. We theoretically prove that our method satisfies $ε$-accuracy with a confidence level of $1 - δ$, addressing a key gap in existing approaches. Furthermore, we show that this also leads to guarantees on the lower bounds of performance metrics such as F-score. Numerical experiments demonstrate that the proposed acquisition function achieves comparable precision to existing methods while confirming that the stopping criterion effectively terminates the algorithm once adequate exploration is completed.

Embodied AI represents systems where AI is integrated into physical entities. Large Language Model (LLM), which exhibits powerful language understanding abilities, has been extensively employed in embodied AI by facilitating sophisticated task planning. However, a critical safety issue remains overlooked: could these embodied LLMs perpetrate harmful behaviors? In response, we introduce BadRobot, a novel attack paradigm aiming to make embodied LLMs violate safety and ethical constraints through typical voice-based user-system interactions. Specifically, three vulnerabilities are exploited to achieve this type of attack: (i) manipulation of LLMs within robotic systems, (ii) misalignment between linguistic outputs and physical actions, and (iii) unintentional hazardous behaviors caused by world knowledge's flaws. Furthermore, we construct a benchmark of various malicious physical action queries to evaluate BadRobot's attack performance. Based on this benchmark, extensive experiments against existing prominent embodied LLM frameworks (e.g., Voxposer, Code as Policies, and ProgPrompt) demonstrate the effectiveness of our BadRobot. Our code is available at https://github.com/Rookie143/BadRobot.

We introduce the Deep Convolutional Interpreter for Time Series (DCIts), a deep-learning architecture for nonlinear multivariate time series that provides sample-specific, locally interpretable descriptions of the underlying interaction structure. Unlike standard black-box forecasters, DCIts learns a time- and lag-dependent transition tensor explicitly factorized into two components: a Focuser, which selects relevant source series and time lags via a sparse masking mechanism, and a Modeler, which assigns signed coefficients to these selected interactions. This decomposition yields a local lag-adjacency structure and signed source-lag contributions for every forecast instance, enabling direct inspection of effective connectivity; when higher-order branches are activated, the same framework yields order-resolved elementwise polynomial contributions. Architecturally, DCIts uses a diverse bank of convolutional filters to capture temporal and cross-variable dependencies, which are mapped through a bottleneck network to the transition tensor. On controlled benchmark datasets with a known interaction structure, we demonstrate that DCIts achieves competitive forecasting error relative to a strong interpretable baseline while recovering stable, signed, lag-resolved interaction patterns. The framework thus prioritizes intrinsic interpretability, using forecasting accuracy as a faithfulness constraint rather than the sole objective.

CT radiomics-based machine learning has potential to predict lung cancer in pulmonary nodules (PNs) earlier than standard-of-care methods. Low malignancy rates in early-development PNs and variable image acquisition hinder development of radiomic models for diagnosing these PNs. To address these challenges, we augmented training using later-development PNs and harmonized for acquisition effects. We examine early-development benign and malignant PNs (n=106) below the sensitivity of standard-of-care diagnosis. Classifiers predicting malignancy performed near chance when trained on ComBat-harmonized radiomic features from only early-development PNs. We then augmented training with later-development benign and malignant PNs (n=225). We evaluated whether harmonization must incorporate biology that impacts acquisition effects in added training data. To correct variability from four acquisition protocols, we compared: 1) biology-unaware harmonization, 2) harmonizing with a covariate distinguishing early-development, later-development benign, later-development malignant datasets, 3) harmonizing each dataset separately. Models trained using augmentation, but biology-unaware harmonization, failed to improve consistently. Augmented training data harmonized with a covariate (ROC-AUC 0.74 [0.69-0.79]) or separately (ROC-AUC 0.71 [0.66-0.77]) yielded higher test ROC-AUC (Delong, p<=0.05) and PR-AUC (Wilcoxon, p<=0.05). In a proof-of-principle methodological study, we demonstrate with a small single-center dataset that combining radiomic features from later-development benign and malignant PNs requires biology-aware harmonization.

Reconstructing Hyperspectral Images (HSI) from RGB images can yield high spatial resolution HSI at a lower cost, demonstrating significant application potential. This paper reveals that local correlation and global continuity of the spectral characteristics are crucial for HSI reconstruction tasks. Therefore, we fully explore these inter-spectral relationships and propose a Correlation and Continuity Network (CCNet) for HSI reconstruction from RGB images. For the correlation of local spectrum, we introduce the Group-wise Spectral Correlation Modeling (GrSCM) module, which efficiently establishes spectral band similarity within a localized range. For the continuity of global spectrum, we design the Neighborhood-wise Spectral Continuity Modeling (NeSCM) module, which employs memory units to recursively model the progressive variation characteristics at the global level. In order to explore the inherent complementarity of these two modules, we design the Patch-wise Adaptive Fusion (PAF) module to efficiently integrate global continuity features into the spectral features in a patch-wise adaptive manner. These innovations enhance the quality of reconstructed HSI. We perform comprehensive comparison and ablation experiments on the mainstream datasets NTIRE2022 and NTIRE2020 for the spectral reconstruction task. Compared to the current advanced spectral reconstruction algorithms, our designed algorithm achieves State-Of-The-Art (SOTA) performance.

As generative AI becomes increasingly integrated into journalism, designing effective AI-use disclosures that inform readers without imposing unnecessary burden is a key challenge. While prior research has primarily focused on trust and credibility, the impact of disclosures on readers' attentional and cognitive load remains underexplored. To address this gap, we conducted a $3\times2\times2$ mixed factorial study manipulating the level of AI-use disclosure detail (none, one-line, detailed), news type (politics, lifestyle), and role of AI (editing, partial content generation), measuring load via NASA-TLX and eye-tracking. Our results reveal a significant attentional cost: one-line disclosures resulted in significantly higher fixation durations and saccade counts, particularly for AI-edited content. Detailed disclosures did not impose additional burden. Drawing on Information-Gap Theory, we argue that brief labels may trigger increased visual scrutiny by alerting readers to AI use without providing enough information. NASA-TLX scores and pupil diameter showed no significant differences across conditions, suggesting that AI-use disclosures do not impose cognitive burden regardless of the detail level. Interview insights contextualize these findings and reveal a strong preference for detailed or ``detail-on-demand'' designs. Our findings inform the design of gaze-informed adaptive disclosure interfaces that dynamically adjust transparency levels based on readers' attentional patterns and news context.

Artificial intelligence (AI) and large language models (LLMs) are transforming educational technology by enabling conversational tutoring, personalized explanations, and inquiry-driven learning. However, most AI-based learning systems rely on continuous internet connectivity and cloud-based computation, limiting their use in bandwidth-constrained environments. This paper presents an offline-first large language model architecture designed for AI-assisted learning in low-connectivity settings. The system performs all inference locally using quantized language models and incorporates hardware-aware model selection to enable deployment on low-specification CPU-only devices. By removing dependence on cloud infrastructure, the system provides curriculum-aligned explanations and structured academic support through natural-language interaction. To support learners at different educational stages, the system includes adaptive response levels that generate explanations at varying levels of complexity: Simple English, Lower Secondary, Upper Secondary, and Technical. This allows explanations to be adjusted to student ability, improving clarity and understanding of academic concepts. The system was deployed in selected secondary and tertiary institutions under limited-connectivity conditions and evaluated across technical performance, usability, perceived response quality, and educational impact. Results show stable operation on legacy hardware, acceptable response times, and positive user perceptions regarding support for self-directed learning. These findings demonstrate the feasibility of offline large language model deployment for AI-assisted education in low-connectivity environments.

Inversion of gravity data is an important method for investigating subsurface density variations relevant to mineral exploration, geothermal assessment, carbon storage, natural hydrogen, groundwater resources, and tectonic evolution. Here we present a scientific machine-learning approach for three-dimensional gravity inversion that represents subsurface density as a continuous field using an implicit neural representation (INR). The method trains a deep neural network directly through a physics-based forward-model loss, mapping spatial coordinates to a continuous density field without predefined meshes or discretisation. Spatial encoding enhances the network's capacity to capture sharp contrasts and short-wavelength features that conventional coordinate-based networks tend to oversmooth due to spectral bias. We demonstrate the approach on synthetic examples including smooth models, representing realistic geological complexity, and a dipping block model to assess recovery of structures at different depths. The INR framework reconstructs detailed structure and geologically plausible boundaries without explicit regularisation or depth weighting, while reducing the number of inversion parameters as the problem size grows bigger. These results highlight the potential of implicit representations to enable scalable, flexible, and interpretable large-scale geophysical inversion. This framework could generalise to other geophysical methods and for joint/multiphysics inversion.

Agentic workflows driven by large language models (LLMs) are increasingly applied to Building Information Modelling (BIM), enabling natural-language retrieval, modification and generation of IFC models. Recent work has begun adopting the emerging Model Context Protocol (MCP) as a uniform tool-calling interface for LLMs, simplifying the agent side of BIM interaction. While MCP standardises how LLMs invoke tools, current BIM-side implementations are still authoring tool-specific and ad hoc, limiting reuse, evaluation, and workflow portability across environments. This paper addresses this gap by introducing a modular reference architecture for MCP servers that enables API-agnostic, isolated and reproducible agentic BIM interactions. From a systematic analysis of recurring capabilities in recent literature, we derive a core set of requirements. These inform a microservice architecture centred on an explicit adapter contract that decouples the MCP interface from specific BIM-APIs. A prototype implementation using IfcOpenShell demonstrates feasibility across common modification and generation tasks. Evaluation across representative scenarios shows that the architecture enables reliable workflows, reduces coupling, and provides a reusable foundation for systematic research.