Papers

Scientific experiments are often designed to maximize information gain, yet in many applications the primary objective is to support reliable downstream decision-making. Existing decision-aware experimental design and active learning methods typically assume well-specified outcome models and implicitly rely on the stability of the optimal decision under real-world perturbations. In practice, however, experimental outcomes are frequently influenced by hidden or weakly modeled effects, which can substantially alter decision optimality and lead to misleading conclusions. We study sequential adversarially robust decision-aware experimental design, where data acquisition has to take into account information gain against plausible worst-case unexpected effects, modeled here as variation in adversarial variables. Building on Bayesian decision theory, we formalize an adversarially robust optimal decision under this setting and derive a principled Bayesian experimental design criterion. The criterion explicitly targets decision stability rather than nominal optimality. Experiments on synthetic and real-world scientific datasets show that conventional decision-aware design can converge rapidly to high confidence yet fragile decisions, while our robustness-aware approach yields decisions that are significantly more stable and reliable under adversarial variation.

Extreme Learning Machine (ELM) computes output weights analytically using the Moore-Penrose pseudoinverse. Although this leads to fast training, its numerical stability depends strongly on the conditioning of the hidden layer matrix. This paper studies pseudoinverse-based ELM from a spectral perspective. We show that the smallest singular value governs perturbation amplification in the output weights, while the condition number provides a quantitative measure of hidden-layer instability. We compare SVD-based pseudoinverse computation with iterative hyperpower methods and discuss width-dependent conditioning through a random feature interpretation. Experiments on synthetic matrices and ELM benchmarks show that SVD-based methods remain the most reliable under ill conditioning, while iterative methods are more sensitive to spectral properties. The results suggest that ELM stability is fundamentally governed by the singular value structure of the hidden layer matrix.

Missing data is a persistent obstacle in scientific, social science, and public health research, often biasing analyses and placing accountability on analysts for how they handle missing values. We introduce ImputeViz, an integrated visual analytics dashboard that supports diagnosing missingness, configuring imputation models, and evaluating results. The system brings together widely used methods, including MICE, Random Forest, XGBoost, and kNN, within an interactive environment that makes missingness patterns explicit. To support geospatial reasoning, we introduce gKNN, a geographically informed kNN variant that blends socioeconomic and spatial distances and exposes donor contributions, enabling provenance-based visual accountability by showing which regions drive each estimate. Our primary contribution is a method-agnostic visual analytics environment that makes cross-method comparison a first-class visual task and integrates gKNN alongside standard methods. Coordinated views reveal missingness structure through heatmaps, co-missingness summaries, and distributional diagnostics that help analysts reason about missingness patterns (MCAR/MAR) and cases where missingness may be non-random (MNAR). Users can compare and tune models and interrogate results via distributional overlays, a Method Comparison Summary reporting MAE, RMSE, Delta RMSE, and runtime for each algorithm on the current target and mask, along with variable-level discrepancy views. Cached per-method results and locked axis scales reduce cognitive overhead from shifting ranges during method switching. These comparisons highlight where methods disagree, which variables are sensitive, and how imputation choices affect downstream summaries. Case studies demonstrate how ImputeViz helps analysts select effective strategies, surface sensitive variables, and assess model robustness.

A series of results from the NeuroAI over the past fifteen years have raised core questions both about how to compare Deep Neural Network (DNN) models to the brain, and about how much convergent evolution to expect between artificial networks and real brain networks. Here, we show that for any two minimal DNN solutions to a sufficiently hard task: (i) "weak" alignment of network representations based on affine mappings guarantees "strong" alignment of privileged axes, and (ii) alignment "zippers" up the network hierarchy, causing the emergence of privileged axes from end-to-end task optimization. These results formalize the notion of contravariance from Cao and Yamins [2024], and illustrate important consequences for the theory of NeuroAI: with sufficiently strong tasks, choice of metric for inter-network comparison is not all that sensitive, and that convergent evolution is probably inevitable.

The operational integrity of complex industrial systems relies on precise anomaly detection and diagnosis. The vast majority of existing methods narrowly focus on capturing temporal similarities of representations, often overlooking the disruption of internal causal relationships, which characterizes system failures and latent anomalies. In this paper, we propose a novel framework (CAAD) that reframes anomaly detection as the continuous verification of Granger causality consistency through exogenous variables. Specifically, the CAAD framework models exogenous time-series variables as residuals, identifying anomalies as significant deviations caused by external interventions. The proposed framework leverages multi-scale alignment to internalize system dynamics and utilizes a gradient-based matrix to monitor internal causal relationship breakdowns. By quantifying causal deviations of both dynamic evolution and relational topology, the CAAD is able to capture subtle causal shifts to achieve precise anomaly detection. Extensive experiments on real-world industrial datasets demonstrate that the CAAD achieves high-precision anomaly detection, outperforming most state-of-the-art baselines.

End-to-end neural audio models achieve high-fidelity compression and generation. We might read that performance as evidence they directly represent interpretable features such as pitch and timbre, but a model can produce plausible outputs without doing so. A model may encode these features in any reachable basis, but regardless of which, the features are well described as compositions of time-frequency-localized primitives. Whether state-of-the-art encoders preserve access to these primitives, and thus to compositions of them, remains unclear. Through theoretical analysis and controlled experiments, we show that several state-of-the-art strided convolutional encoders impose two structural bottlenecks, both predictable from architecture and signal structure, on access to these primitives: (1) they collapse primitives into alias equivalence classes, establishing a bound on representational capacity, and (2) they limit the frequency resolution available to learned filters, restricting separability. For well structured data, we find collapse rates of 31-35% and filter bandwidths 10-35x above the theoretical resolution bound, confirming that both bottlenecks arise under realistic signal conditions. We then introduce Gabor Latent Refactorization (GLRF), a lightweight post-hoc intervention that re-expresses encoder latents in a frequency-localized basis, reducing filter bandwidths from 10-35x to 1.5-3x of the theoretical resolution bound while preserving reconstruction fidelity and improving control over attributes like pitch. These results show that the encoders in question predictably degrade access to frequency-localized primitives, entangling the features that depend on them, and that a lightweight, retraining-free intervention can recover much of that access, improving steerability and interpretability.

Suppose we observe two sets of $n$ Gaussian vectors in $\mathbb{R}^d$, with the promise that, after applying a permutation of $[n]$ and a rotation of $\mathbb{R}^d$, the two sets are $\rho$-correlated. The Procrustes matching problem asks us to recover the unknown permutation of $[n]$ that aligns the two sets. The problem is well-studied in the low-dimensional regime $d=O(\log n)$, but the high-dimensional regime $d\gg \log n$ has remained largely uncharted: prior matching guarantees require nearly perfect correlation $\rho=1-o(1)$, even for information-theoretic recovery. Our main result is a polynomial-time algorithm for exact recovery at constant correlation. The algorithm works by computing and comparing weighted counts of a specially chosen family of “wide” trees. So long as $d\ge \mathrm{polylog}(n)$, the algorithm succeeds with high probability for any $\rho^2>\sqrt{\alpha}$, where $\alpha\approx 0.338$ is Otter's tree-counting constant. We complement this algorithmic result with an improved information-theoretic guarantee, showing that exact recovery is possible when $\rho^2 \gtrsim \max\{\log n/d,\sqrt{\log n/n}\}$. We also carry out a low-degree advantage calculation, which suggests that the condition $\rho^2 > \sqrt{\alpha}$ is necessary for any tree-counting algorithm.

Understanding perceptual differences between autistic and neurotypical adults requires behavioral assays that are sensitive, reliable, and mechanistically informative. Facial emotion perception is a useful test case because group differences have been reported, but findings vary across studies. Here we show that this variability may reflect image-level sparsity: autistic-neurotypical differences in emotion judgments were concentrated in a small subset of diagnostic facial expressions rather than spread uniformly across stimuli. We trained population-specific artificial neural network models to predict image-level judgments for autistic and neurotypical participants, then used these models to select novel faces predicted to maximize group separation. In an independent cohort, model-selected images produced larger behavioral differences than matched random images. We then used the same models with a generative adversarial network to transform diagnostic images toward greater predicted group agreement. In phenotype-matched validation, synthesized images reduced behavioral separation relative to their matched originals. These results establish a model-guided framework for discovering and transforming stimuli that reveal population-specific perceptual differences. More broadly, they show how behavioral phenotyping can move beyond averaging across fixed stimulus sets toward optimized assays that identify the conditions under which neurodivergent perception diverges or converges.

The inherent rigidity of fixed-size benchmarks makes them an inefficient tool for model evaluation. Diverse evaluation objectives, including model ranking, model selection and testing throughout development, demand varying levels of statistical power. The mismatch between fixed sample sizes and these diverse needs results in either excessive computational cost or compromised reliability - a critical concern for model evaluation. To overcome these limitations, we call for adoption of sequential testing in our field. We provide an adaptive evaluation framework, that provides a principled way to navigate the trade-off between efficiency and reliability in model evaluation. Our framework combines the established statistical paradigm of sequential testing with stopping criteria tailored to common evaluation needs such as diminishing returns detection, and minimum detectable effect size. We demonstrate its ability to adaptively manage the efficiency-reliability trade-off on the Open VLM Leaderboard, including, for example, a 80% reduction in computational cost compared to fixed-size evaluation (with a 2.5-point CI width allowance) while maintaining statistical significance.

Choosing a learning rate scheduling strategy is critical to neural network training, but manual selection is costly and rarely exhaustive. While classical AutoML approaches often treat the scheduler as a secondary hyperparameter, we systematically investigate its impact on classification accuracy across a diverse pool of architectures. We evaluated 30 representative architectures from convolutional and transformer families within the LEMUR neural network dataset. Through automated source-code injection, we applied 25 scheduler configurations across nine PyTorch families, evaluating a total of 3,938 model variants on CIFAR-10. Our best configuration achieved a top-1 accuracy of 86.45%, with 237 variants exceeding 80%. The results show that the choice of scheduler depends heavily on the architecture: CosineAnnealingWarmRestarts and CyclicLR consistently outperform basic decay strategies. The resulting accuracy landscape, contributed to the LEMUR nn-dataset, provides a practical reference for principled scheduler selection.

Recent unified multimodal models show a single architecture can jointly perform vision/language understanding and image generation/editing. However, they repeatedly feed all historical visual and textual inputs into a shared context window, limiting long-horizon multimodal dialogue due to visual token explosion and unreliable cross-turn referencing. We propose a Cognitive-structured Multimodal Agent that externalizes visual information into an Episodic Visual Memory and selectively reactivates relevant episodes during reasoning. The agent consists of a Perceptual Abstraction Engine for structured visual abstraction, a Cognitive Retrieval Engine for cross-turn memory retrieval, and a Multimodal Executive Controller for autonomous task inference and action planning. To address the lack of turn-level retrieval supervision in existing datasets, we develop a Unified Scenario Engine that programmatically generates structured multi-turn conversations with fine-grained retrieval annotations, enabling reinforcement learning to optimize abstraction and retrieval policies. We also construct a long-horizon visual-dialogue benchmark stratified by difficulty to evaluate episodic visual recall. Our 8B agent achieves 91.4% retrieval accuracy over 20-turn sessions, surpassing 32B baselines by +8.2% while nearly halving per-turn inference time (23.1s -> 12.7s). We further present the Cognitive-structured Multimodal Agent Harness (CMA-Harness), a tool-augmented deployment of the same cognitive structure integrating persistent multimodal memory, web access, image generation/editing/composition tools, and OpenAI-compatible serving. Structured memory and modular decision-making offer a more scalable, efficient paradigm for long-horizon multimodal agents than monolithic parameter scaling. Code: https://github.com/caseclose/cma-harness ; Project page: https://caseclose.github.io/cma-harness/

Subjective NLP tasks often exhibit systematic annotator disagreement, requiring models that represent uncertainty rather than collapse it. We introduce Ensemble Diversity Optimization (EDO), a prediction-space framework that jointly optimizes ensemble weights, effective cardinality, and calibration through a unified differentiable objective. EDO learns ensemble composition and size end-to-end via Gumbel-Softmax relaxation and incorporates a signed diversity regularizer, tuned on validation data, to steer optimization toward either preserving or suppressing disagreement. This regularization prevents ensemble collapse and enables controlled navigation of the utility-calibration trade-off. The framework integrates a soft F1 surrogate, class-weighted cross-entropy to address imbalance, and reliability-weighted diversity to regulate intra-ensemble variability. Experiments on four subjective text-classification benchmarks (ArMIS, ConvAbuse, HS-Brexit, MD-Agreement) show that EDO substantially improves probabilistic calibration, reducing cross-entropy (40-78% depending on baseline) and lowering Brier scores relative to Soft-CE, Soft-MD, Top-5 Voting, and WEL, while maintaining competitive F1 and better alignment with annotator distributions. These results demonstrate that jointly optimizing ensemble structure with a signed diversity regularizer provides an efficient, model-agnostic approach for modeling human subjectivity in supervised learning.

Multi-modality transportation refers to urban systems composed of multiple transportation modes, such as traffic flow and public transit, whose dynamics are coupled by shared temporal patterns. Accurate multi-modality transportation forecasting remains challenging because (1) different modalities exhibit distinct spectral characteristics and (2) interact unevenly across frequencies, whereas most existing methods operate primarily in the time domain or rely on coarse feature fusion. To address these limitations, we propose a lightweight yet effective Frequency-Domain Multi-Modality modeling (FreMo) that explicitly exploits the frequency domain to enable adaptive and selective cross-modality synergy. FreMo disentangles modality-wise spectral refinement from cross-modality synergy and supports plug-and-play integration with general time series backbones. Specifically, FreMo introduces a Modality-Wise Frequency Filter (MFF) to adaptively refine spectral components within each modality, emphasizing informative frequencies while suppressing noise. FreMo further incorporates a Frequency-Guided Synergy Integrator (FSI) that selectively aggregates information across modalities based on their relative contribution at each frequency, facilitating effective cross-modality knowledge sharing while mitigating negative transfer. Extensive experiments on real-world datasets show that FreMo consistently outperforms state-of-the-art baselines, with superior performance and generalization across diverse forecasting scenarios. The code is available at https://github.com/beginner-sketch/FreMo.

Fully characterizing a crystalline material requires integrating heterogeneous data sources – atomic structures, diffraction patterns, electronic density of states, and natural language – each of which captures a different facet of the same physical object. In practice, however, these modalities are stored and analyzed in isolation, making it difficult to relate or query materials across representational boundaries. We present MatBind, a contrastive learning framework that aligns four materials modalities – crystal structure, powder X-ray diffraction (pXRD) simulated from structures, density of states (DOS), and text – into a unified embedding space using crystal structure as the central physical anchor. The framework induces alignment between modalities never explicitly paired during training, enabling emergent zero-shot cross-modal retrieval as a direct consequence of the shared representation. The learned embedding space organizes materials according to physically meaningful properties without explicit supervision, and retrieval performance improves systematically when modalities are combined at query time. These results demonstrate that treating heterogeneous materials data as complementary projections of a single physical reality, rather than as isolated data sources, is not a practical choice but is consistent with the underlying physics.

Determining agricultural potential is fundamental to sustainable land management and agricultural planning. Remote sensing data is increasingly valuable as an avenue for agricultural potential due to the cost of traditional methods (surveys, in-situ measurements, soil testing, etc). ImageCLEF AI4Agri 2026: Subtask 1 is concerned with the prediction of viticulture potential in Southern France. The DS@GT ARC's submission for Subtask 1 introduces an ensemble of U-Net and a Geospatial Foundation Model (Prithvi-2.0). Our best model achieved a $\pm$1 accuracy of 68.32 on the leaderboard, ranking 2nd among 7 teams. The implementation for this work is publicly available at https://github.com/dsgt-arc/imageclef-ai4agri-2026 .

In this paper, we study quantile-based distributional reinforcement learning from the perspective of statistical efficiency. We focus on distributional policy evaluation, whose goal is to characterize the return distribution, namely the distribution of discounted cumulative rewards under a given policy. To obtain a finite-dimensional representation of the return distribution, we consider the quantile fixed point $\eta_m$ induced by the quantile-projected distributional Bellman equation. Assuming access to a generative model, we construct an estimator $\eta_m^{(n)}$ based on an empirical Markov decision process. For a fixed number of quantiles $m$, we establish a non-asymptotic error bound for $\eta_m^{(n)}$ and $\eta_m$ under the supremum $W_\infty$ metric, showing that the estimation error scales as $\widetilde{O}(\sqrt{m/n})$ with respect to $m$ and $n$. This implies that the quantile-based distributional policy evaluation problem can be solved with sample efficiency, achieving the optimal parametric $\sqrt{n}$ convergence rate. We derive the asymptotic distribution of the quantile parameters $\sqrt{n}(\theta_m^{(n)}-\theta_m)$ and characterize the semiparametric efficiency bound, which is attained by our estimator. Beyond the fixed-dimensional setting, we investigate the asymptotic regime in which the number of quantiles diverges. We characterize the limit covariance structure and show that it matches the semiparametric efficiency bound of the nonparametric model for distributional policy evaluation, showing that quantile-based estimators remain asymptotically efficient in the infinite-dimensional limit. Finally, we establish a Berry–Esseen theorem for smooth functionals $\sqrt{n}(\eta_m^{(n)}(s)-\eta_m(s))f$, thereby providing a foundation for statistically valid inference on functionals of the quantile-projected return distribution.

Male infertility is a significant yet often underdiagnosed aspect of reproductive health, with semen analysis serving as the cornerstone of clinical evaluation. To address this problem, this study investigates the use of machine learning algorithms to classify male fertility status based on key semen parameters, i.e., sperm concentration, motility, and morphology, using the VISEM dataset. This dataset includes semen samples from 85 participants, classified into three categories, i.e., Fertile, Sub-Fertile, and Infertile, according to the World Health Organization's criteria. After pre-processing and feature engineering, the dataset was used to train and assess multiple classification models using the LazyPredict framework. Among the more than 40 algorithms tested, the Nearest Centroid classifier achieved an accuracy of 94.2%, outperforming other models such as Support Vector Machines and Quadratic Discriminant Analysis. The model's robustness was validated using 5-fold cross-validation and multiclass ROC-AUC analysis. This study illustrates that machine learning models can provide fast, accurate, and objective assessments of semen quality, potentially supporting clinical decision-making in andrology and assisted reproductive technologies. These findings emphasize the growing potential of machine learning to enhance fertility diagnostics and inform patient-specific treatment strategies.

Achieving nanosecond-scale inference latency for deep neural networks (DNNs) has become a primary architectural concern for latency-critical applications. While Field-Programmable Gate Arrays (FPGAs) offer a promising substrate for low-latency inference, conventional FPGA accelerators remain arithmetic-centric, using LUTs primarily as building blocks for numerical operators and peripheral logic. In contrast, recent LUT-native neural networks treat LUTs as learnable neurons, revealing promising theoretical potential to exploit their intrinsic logic expressivity. However, existing methods are largely confined to algorithmic optimizations, failing to translate this theoretical potential into high-performance FPGA accelerators. Specifically, their differentiable formulations do not faithfully match FPGA LUT primitives, their physically-unaware topologies compromise routability and timing closure, and their lack of automated optimization flow hinders systematic design space exploration (DSE) and efficient hardware implementation. In this paper, we propose FPGN, an end-to-end physically-aware framework that closes the gap between LUT-native learning and latency-optimized FPGA implementation. FPGN addresses these challenges through (i) a hardware-aligned differentiable formulation for training FPGA-native LUT neurons, (ii) a structured LUT-native topology with a streaming hardware architecture to improve routing locality and timing closure, and (iii) a latency-driven compiler that leverages high-fidelity analytical Quality of Results models to automate DSE and hardware generation. Experiments show that FPGN achieves up to 205$\times$ latency reduction compared to representative FPGA-based BNN accelerators and up to 30$\times$ higher LUT efficiency than prior differentiable LUT-native networks, while maintaining competitive inference accuracy.

Backpropagation (BP) dominates deep learning training, but its reliance on gradients brings inherent troubles – vanishing and exploding gradients. The pursuit of gradient-free methods has long been a goal in the field of artificial intelligence. This paper shows that indeed the simplest Monte Carlo algorithm implemented on a single GPU – randomly mutate a parameter, keep it if the loss decreases, otherwise retry – can practically train deep networks. This gradient-free method does not even need common techniques such as batch normalization or residual connections to directly train sufficiently deep networks. More remarkably, its flexibility extends to several nontrivial scenarios: it enables pure pruning training, supports discrete weights, accommodates unconventional transfer functions such as Gaussian, and reveals the substantial redundancy of deep networks. We have demonstrated its feasibility on deep networks with more than 20 layers, single-hidden-layer wide networks with up to 16,384 hidden neurons, and even a simple Transformer architecture trained on both image classification (MNIST) and character-level language modeling (Tiny Shakespeare). This simple gradient-free method may offer a complementary perspective for understanding the self-organization and learning mechanisms of neural networks, and also provides an alternative route for building physically inspired deep learning systems.

Current computational approaches for drug design typically focus on generating molecules conditioned on specific targets or general molecular properties, often neglecting the influence of disease context on target behavior and therapeutic outcomes. To address this gap, we introduce DrugGen-2, a novel generative model that designs small molecules conditioned on both disease ontology and target protein sequences. DrugGen-2 was developed by fine-tuning a pre-trained GPT-2 model on a curated dataset of approved drugs linked to their diseases and targets, using a two-step strategy of supervised fine-tuning followed by reinforcement learning via group relative policy optimization (GRPO). This process was guided by reward functions optimizing for chemical validity, novelty, diversity, and high predicted binding affinity. When evaluated on five protein targets relevant to diabetic nephropathy, DrugGen-2 significantly outperformed baseline models (DrugGPT and DrugGen). It demonstrated a superior capacity to generate unique molecules, exhibited greater structural similarity to approved drugs, and achieved improved predicted binding affinities across all targets. Molecular docking analyses further supported these findings, identifying candidate ligands with strong binding potential, including compounds with predicted affinities (-9.917, -9.485, and -9.367) exceeding those of reference drugs such as enalapril for angiotensin-converting enzyme (-8.283). By integrating disease-specific context into molecular generation, DrugGen-2 advances AI-assisted drug discovery, offering a powerful tool for de novo design and drug repurposing that accounts for the complex interplay between diseases and molecular targets.

LLM agents reach users through resellers, who may rebrand a developer's agent or substitute a cheaper model. When provenance is disputed, attribution rests on the trajectory log (the record of tool calls, observations, and executed actions, not the model's reasoning), which the reseller stores and processes to meter usage. A watermark must therefore survive an adversary with full read/write access to the very evidence it is detected from; existing agent watermarks do not, as their attribution is read straight off that log. We present TRACE, to our knowledge the first agent watermark that is distortion-free in its action choices, self-synchronizing under deletion, and unconditionally invariant under rewriting. Deletion desynchronizes a position-derived key and rewriting alters content, so a deletion-robust key must come from content and a rewrite-robust key from position, and no single key serves both. A trajectory, however, has room for two watermarks. TRACE superposes a selection channel that sets which action is chosen, keyed on local content with a distortion-free sampler, so the agent's distribution is provably unchanged and detection resynchronizes after deletions, and a tally channel that sets how many records each decision group holds, keyed on the log's skeleton alone, which no rewriting can touch. We prove this behavioral watermark's signal is bought with decision entropy, each decision paying at least half its entropy and deterministic decisions nothing, and that erasing both channels forces the reseller to corrupt the trajectories it resells. On ToolBench and ALFWorld, TRACE matches the unwatermarked agent's success rate while its selection channel reaches detection scores near z = 100 on long-horizon trajectories, stays detectable under 70% step deletion, and keeps a tally channel exactly unchanged under LLM rewriting of any strength.

Large language models process prompts by propagating activations through dozens of layers before generating a response. We ask whether the task-relevant information contained in an instruction prompt can be compressed into a single activation vector and re-injected into the model, replacing the original token sequence? We show this is achievable using a learned weighted sum of activations extracted at an intermediate layer and injected at an early layer of the target LLM. The compressed vector preserves task-relevant information, incurring an accuracy drop of under $2\%$ relative to full prompt processing. Beyond its practical implications, including reducing per-query computation for fixed instruction prompts without reprocessing the original token sequence, our analysis reveals structure in the activation space of LLMs: (i) mid-layer representations transfer meaningfully to early layers, suggesting a degree of cross-layer compatibility in how information is encoded; (ii) a single activation vector encodes a quantifiable and recoverable amount of semantic information; (iii) a weighted sum of activations is a robust representation compressor.

Optical multilayer coatings are used in imaging optics, lasers, telecommunications, solar cells, and radiative cooling, where the spectral response required by each application is achieved by a well-designed layer structure. However, existing design methods have limitations. Local methods refine a starting design efficiently but depend on its quality, and global searches require up to millions of transfer-matrix evaluations per target. Existing deep-learning inverse-design models are fast, but they are trained for a fixed set of materials and a fixed wavelength band, and they either optimize the thicknesses for a fixed material sequence or choose them from a discrete grid. In this paper, we present IrisFlow, a generative model that addresses these limitations by taking each candidate material as its optical constants and the target spectrum together with its wavelengths as input. It generates the material and the continuous thickness of every layer jointly, by coupled discrete and continuous flow matching in a single network. We demonstrate its performance through design with materials outside the training library and on bands beyond the training range, and through comparisons with classical optimizers and an existing deep-learning model. We also demonstrate its usability in a practical design workflow by designing four colored solar-reflective coatings with the calibrated optical constants of an existing deposition system. Combined with a local refinement of its ten best designs, it reduces the number of transfer-matrix evaluations about 500-fold relative to needle optimization at comparable accuracy. The code, trained model, and training and test data are publicly available.

Making tradeoffs between execution latency and result utility (i.e., anytime computing) for adapting to dynamic operational requirements has been shown to enhance the performance of cyber-physical systems. In this work, we focus on enabling anytime computing for deep neural networks (DNNs) that process LiDAR point clouds for 3D object detection. We propose a novel method that enables multi-resolution inference for models that process point clouds as pillars or voxels, allowing the input to be dynamically scaled and processed at the resolution needed to meet timing requirements. Importantly, our memory-efficient approach requires the deployment of only a single DNN model, avoiding the need to deploy multiple models, each trained for a different input resolution. We also introduce a deadline-aware scheduler that selects the highest possible resolution for any given input by accurately predicting the execution time for all possible resolutions at runtime, which is challenging due to the irregularity of LiDAR point clouds. Experimental results on the nuScenes autonomous driving dataset demonstrate that our method significantly outperforms existing anytime computing approaches for LiDAR object detection. Finally, we deploy our approach in a simulated autonomous driving system, where it consistently enables collision-free navigation while avoiding unnecessary stalls caused by environmental complexity.

We revisit one-zero and two-zero textures of the neutrino mass matrix under current experimental and cosmological constraints. We identify the phenomenologically viable texture structures using the latest results on neutrino oscillation parameters, the cosmological bound on the sum of neutrino masses, the kinematic bound on the effective electron-neutrino mass, and limits from neutrinoless double-beta decay. For two-zero textures, several structures are still allowed if only the CMB bound on the neutrino mass sum is imposed. Among them, the $B$-series textures show a characteristic prediction for the Dirac CP phase, with $\delta_{\rm CP}$ lying around $\pi/2$ and $3\pi/2$, and are within the reach of future neutrinoless double-beta decay searches. When the stronger CMB+BAO constraint is included, however, only the $A$-series textures remain viable. Therefore, we also analyze one-zero textures by using machine learning techniques, particularly flow matching. It turns out that some of the texture structures are already excluded by current data, while the allowed ones give distinct predictions for $\sum_i m_i$, $m_{\nu_e}^{\rm eff}$, $\langle m_{ee}\rangle$, and $\delta_{\rm CP}$. We further discuss how the one-zero texture structures can arise from non-invertible selection rules.

An important quantity in the theory of gradient descent (GD) is the sharpness, defined as the largest eigenvalue of the objective Hessian. Classical analyses typically require the step size to be uniformly smaller than twice the reciprocal of the sharpness, but this condition is frequently violated in the training of deep neural networks. Recent work bridges this gap in the setting of overparametrised least-squares with a single scalar output, providing a normal form for large-step GD in a neighbourhood of an isolated flat minimum and establishing three corresponding convergence results. In this paper, we extend this theory in two directions: (1) to overparametrised least-squares with vector-valued outputs (including regression with arbitrarily many observations), and (2) to a neighbourhood of a manifold of flat minima (which we show is essential for applications such as matrix factorisation). We generalise both the normal form and all three convergence theorems of \cite{macdonaldeos} to this broader setting, overcoming several technical challenges. We further show that our framework applies to deep matrix factorisation under mild assumptions, yielding several new structural results. In particular, we prove that the set of flat minima forms a fibre bundle over a product of spheres, and that the sharpness is Morse-Bott along this manifold.

Uncertainty quantification is central to the reliable deployment of large language models (LLMs), and eigenvalues of semantic embeddings have recently emerged as a key tool in state-of-the-art methods. However, conventional calibration results developed for classification probabilities cannot be directly transferred to eigenvalues. We address this gap by proposing a novel framework for calibrating the eigenvalues of semantic embeddings. We interpret LLMs combined with semantic embeddings of their generated answers as density matrix predictors, and we propose a novel approach to calibrate density matrix predictors by applying temperature scaling to their eigenvalues. We establish entropy-risk equivalence under calibration, derive a central calibration inequality specific to eigenvalues, and prove that temperature-scaled eigenvalues optimize calibration when minimizing proper score risks. Experiments on a variety of real-world settings show that current LLMs are systematically overconfident, and validate our theoretical findings. Together, these results advance the foundations and practice of uncertainty quantification for semantic embeddings.

Connected vehicles are autonomous cyber-physical systems whose behavior must be continuously monitored during operation to detect deviations from normal operation before they propagate into failures. Such evaluation is challenging because the systems themselves evolve: over-the-air updates, configuration changes, and shifting workloads alter the definition of normal behavior, causing static diagnostic methods to degrade silently over time. Existing approaches typically address either automated model adaptation or operator integration in isolation, rather than as a single coordinated supervisory loop. This paper presents an online anomaly detection framework for autonomous CPS that integrates three coordinated mechanisms. A factorized deep Q-network with self-attention selects the most suitable detector from a candidate pool for each monitored service, exploiting inter-service dependencies in the microservice topology. An ensemble of three statistical drift detectors monitors the input distribution and raises an alarm only when all three concur, prioritizing precision over recall. A human-in-the-loop retraining mechanism, built around a pending transition buffer and a 60/40 prioritized replay strategy, allows the operator to incorporate expert knowledge while preserving the system's learned response to prior data distributions. The framework is evaluated on a connected-vehicle testbed running an automated valet parking application across seven backend microservices. The attention-augmented agent achieves an F1 score of 0.69, compared to at most 0.11 for any single detector applied uniformly. Following a real software update that induces measurable concept drift, F1 drops to 0.52; after operator-triggered retraining, performance recovers to 0.65 on the new distribution while remaining at 0.69 on the prior one, demonstrating sustained adaptation without catastrophic forgetting.

We derive bounds for the volume of tubular neighbourhoods of smooth Pfaffian hypersurfaces, generalising known results for algebraic varieties. The bounds are given in terms of the Pfaffian format of the defining functions. As an application, we obtain tail bounds on the probability distribution of a condition number measuring the robustness of neural network classifiers with Pfaffian activation functions, in both the uniform and Gaussian settings. In the special case of single-hidden-layer sigmoid networks with rational weights, we derive polynomial-in-width bounds for tubular neighbourhoods of the decision boundary.

Mechanistic interpretability often evaluates explanations by intervening on a model: swapping hidden states, patching activations, ablating components, or comparing a compressed model to the original one. These experiments are usually summarized by a point estimate, even though the evaluation may be monitored while it runs or adapted toward suspected failures. This makes it hard to tell whether a reported fidelity or patching effect is a stable causal claim or a consequence of finite sampling and evaluation choices. We introduce Certified Interventional Fidelity (CIF), a statistical layer for interventional interpretability evaluations. CIF first writes the quantity being reported as a causal estimand: an expectation of a bounded score over a stated input distribution and a stated intervention distribution. It then provides confidence intervals and anytime-valid confidence sequences for this estimand, including under adaptive intervention sampling via bounded mixture importance weighting. We instantiate CIF with Hoeffding-style sequences and variance-adaptive betting sequences, the latter reducing certification cost by 10-30x in our experiments. On MNIST abstractions and GPT-2 Small IOI circuits, CIF certifies high-fidelity claims, shows when apparent method differences are not statistically supported, and makes sensitivity to the intervention distribution explicit.