Papers

Synthetic tabular data enables microdata sharing in regulated domains, yet deploying continuous-time generative models requires balancing analytical utility, disclosure risk, and computational cost. Latent-space flow models are flexible, but theoretical equivalences across learning targets, probability paths, and sampling dynamics can translate into different behaviour under finite-step integration and explicit compute budgets. We present an empirical study of tabular latent flow models across seven datasets, evaluating velocity, score, noise, and posterior matching objectives under optimal transport (OT) and variance-preserving (VP) paths, ODE and SDE sampling, and varying integration budgets. Our contributions are threefold: (1) we show that the learning target largely determines the utility-risk operating regime, with velocity and posterior matching tending to yield higher utility, while score and noise matching tend to achieve lower disclosure risk; (2) we demonstrate that configuration and sampling choices shift performance, with midpoint often improving distributional fidelity and OT paths often tolerating earlier stopping than VP, enabling compute savings under fixed budgets or risk thresholds; and (3) we distil these findings into actionable defaults and practical configuration guidance to support pre-release model selection under disclosure risk and resource constraints. The code implementation and supplementary materials can be accessed in https://github.com/rulnasution/tabular-latent-flow/.

Cryopathy syndromes are difficult to classify because laboratory patterns often overlap across diagnostic categories, while some diagnoses are rare. This makes routine interpretation of cryoglobulin-related tests challenging and increases dependence on expert judgment. The aim of this study was to develop and compare machine learning approaches for automated classification of cryopathy syndromes from laboratory data and to identify a practical strategy for clinical decision support. Methods: We analysed laboratory records from 2,686 patients assigned to 14 diagnostic categories. The dataset included demographic variables, cryoglobulin measurements, precipitation tests, and hemagglutinin and hemolysin titers. Data preprocessing included cleaning, encoding, imputation, normalization, and construction of clinically informed interaction features. We evaluated 12 modelling strategies, including Random Forest, Gradient Boosted Trees, Multi-Layer Perceptron, soft-voting ensembles, class balancing with Synthetic Minority Over-sampling Technique, hierarchical classification, period-aware models, targeted binary classifiers, and probability calibration. Performance was assessed using stratified train-test evaluation and stratified 5-fold cross-validation. The main metrics were macro-averaged F1 score, accuracy, Top-3 accuracy, and expected calibration error. The overall task proved difficult because of marked class imbalance and clinical overlap between diagnoses. The best multiclass performance was achieved by a soft-voting ensemble of Random Forest and Gradient Boosted Trees. Cross-validation confirmed stable performance for the balanced Random Forest model. Tree-based methods consistently outperformed the neural network model. Feature engineering improved discrimination, and the most informative predictors were derived cryoglobulin-based interaction features.

Developing robust intrusion detection systems (IDS) for IoT environments requires large, labeled datasets capturing realistic traffic distributions across both benign and malicious activity. Existing public datasets suffer from fixed activity distributions and extreme class imbalance, while deep generative models (GANs, VAEs) provide no mechanism to enforce that synthetic packets remain within physically valid feature ranges. This paper proposes and compares two constraint-enforcing approaches for synthetic IoT network packet generation: (i) a statistical learning method combining PCA-based latent space sampling with dual One-Class SVM (OCSVM) and Isolation Forest (IF) boundary enforcement, and (ii) a genetic algorithm (GA) method that treats packet generation as a multi-objective optimization problem with explicit fitness criteria for anomaly model acceptance and distributional fidelity. Both methods embed hard validity constraints – dual anomaly-detection gating, feature-range clamping, and independent validation – directly into the synthesis pipeline. Evaluation on the complete ACI IoT 2023 dataset (1,231,411 packets, 12 attack categories, class imbalance up to 175,805:1) demonstrates that both methods achieve PASS status across all categories under independently trained validators with a 30% anomaly rate threshold: the statistical method attains 1.20% average anomaly rate with ~1,091 packets/s throughput, while the GA attains 0.62% average anomaly rate with organic per-class variance (0.00%-2.50%) at ~5.7 packets/s. Both methods successfully amplify the 5-sample ARP Spoofing category by 200x to 1,000 validated packets. The ~190:1 throughput ratio between methods, combined with their complementary quality profiles, provides evidence-based selection criteria for deployment contexts ranging from rapid dataset augmentation to adversarial robustness testing.

A fundamental assumption in statistics and machine learning is that “the future looks like the past,” formalized as exchangeability: the joint data distribution is order-invariant. In practice, this assumption is often violated due to distribution shifts over time. Early detection of exchangeability violations is crucial to prevent performance degradation and enable timely interventions like model retraining. Conformal test martingales offer a flexible, distribution-free framework for sequential exchangeability testing with guaranteed false-alarm rate control by betting against the uniformity of conformal p-values. While alternatives such as plug-in martingales and mixture-based strategies exist, computationally efficient baselines like the Simple Jumper are limited to detecting mean location shifts. We propose a family of conformal test martingales based on shifted Legendre polynomials that extend the Simple Jumper to higher-order moments. The Simple Legendre Jumper replaces linear betting functions with polynomials of arbitrary degree, enabling rapid detection of variance, skewness, and other higher-order deviations. The Product Legendre Jumper combines multiple polynomial degrees into a single betting function but suffers from exponential state-space growth, termed the jumping tax. To resolve this, we introduce the Variational Legendre Jumper, which employs a mean-field approximation to reduce complexity to constant time per step with minimal power loss, providing an expressive, scalable framework for real-time distribution shift monitoring.

The temporal structure of reward composition in reinforcement learning (RL) is typically hand-designed and held fixed throughout training, leaving the progression of motivational priorities largely unexplored. In this work, we propose an evolutionary framework for discovering developmental reward schedules, in which three distinct biologically inspired motivational components – agency, novelty, and reactivity – are combined through time-varying weights that dynamically shift over the course of training. Evaluated on two sparse-reward MiniGrid tasks: DoorKey-6x6 and KeyCorridorS3R1, our framework compares the generalizability of four evolutionary algorithms: CMA-ES, xNES, DE, and L-SHADE against an extrinsically motivated baseline (our main comparison point), and three additional hand-designed methods. On DoorKey-6x6, all evolved methods outperform the non-evolved baselines, with L-SHADE achieving the best performance – an approximate relative mean improvement of 11.4% over the extrinsic only baseline. On KeyCorridorS3R1, CMA-ES achieves the best overall performance, with the remaining evolved methods showing weaker and less reliable generalization capability compared to the extrinsic only baseline. Interestingly, the discovered schedules diverge from our defined developmental ordering, with novelty consistently emerging as the dominant early signal during training, across both tasks. Collectively, our results position evolutionary optimization as a promising approach for developmental reward schedule discovery in deep reinforcement learning, and suggest that what evolution finds to be optimal in computational settings may differ from what it finds to be optimal in biology. The code for this project can be found at: https://github.com/alannadels/Evolutionary_RL.git.

Vision-Language-Action (VLA) models enable robots to execute manipulation tasks from natural-language instructions grounded in visual observations. However, existing VLA interfaces primarily rely on speech or text input, limiting accessibility for deaf, hard-of-hearing, and speech-impaired users. We present SignVLA, a real-time sign-language-guided VLA framework for accessible human-robot interaction. The system introduces a modular sign-to-text interface that converts visual sign gestures into semantic instructions compatible with downstream VLA policies. Given video streams, SignVLA extracts hand landmark features and employs an attention-enhanced Long Short-Term Memory (LSTM) network to capture temporal gesture dynamics for alphabet- and command-level sign recognition. A temporal stabilization module further improves prediction consistency in real-time interaction settings.The generated instruction sequence is then passed to a downstream VLA policy for sign-conditioned robotic manipulation. Experimental results demonstrate stable real-time sign recognition and successful execution of manipulation tasks driven by sign-language inputs. Our findings suggest that lightweight temporal sign recognition can serve as an effective and practical accessibility layer for multimodal embodied intelligence.

Multi-view surface reconstruction is a core problem in computer vision. One prominent line of work represents the surface implicitly as a signed distance field (SDF), optimizing it based on the photometric loss between rendered and observed pixel colors. These approaches typically employ SDF-based volume rendering to obtain a differentiable relaxation of discontinuous visibility along rays, thereby reducing reliance on silhouette supervision. In this paper, we reformulate SDF-based volume rendering as probabilistic surface rendering, where each pixel color is modeled as a mixture distribution induced by the random first ray-surface intersection. To this end, we introduce Stochastic Signed Distance Processes (SSDP), which model the SDF along each ray as a stochastic process, inducing a first-passage-time distribution for each ray. We then derive the first-passage probability for each sampling interval based on Bayesian filtering, together with its practical approximation for parallel rendering. We further show that NeuS, an existing SDF-based volume rendering method, arises as a special case of our formulation. Experiments on the DTU and MobileBrick datasets demonstrate that our method outperforms baselines in both surface reconstruction and uncertainty quantification, supporting the effectiveness of our first-passage formulation. Our code is available at https://github.com/skmhrk1209/SSDP.

Astrophysical simulations frequently address multi-scale, multi-physics problems through subsystem decomposition, problem-tailored integration schemes, and coupling on fixed manually set timescales. Here we introduce ReLaTS, a reinforcement learning framework that dynamically selects the coupling time step to optimize the trade-off between accuracy and computational cost. We validate ReLaTS on star clusters containing a planetary system, and test the method by varying the number of stars $N_\star$ in the cluster and the number of planets ($N_{\rm planet}$) orbiting one of them. The method finds the optimal coupling time step that balances speed and accuracy without requiring expert knowledge. In addition, the trained network operates independently of the coupled N-body algorithms, displaying stable performance across a range of setups. We observe that the method is less reliable for cases with infinitesimal masses, as their contribution to the total energy is negligible compared to that of the massive bodies, and the network is not capable of recognizing potential errors generated while integrating them. For long-time integration of large $N$ systems, the error accumulates. The reinforcement learning algorithm, however, manages to keep the energy error below a pre-set threshold. This approach substantially reduces energy errors relative to fixed-time step baselines without substantial additional computational overhead. Once trained, ReLaTS requires no expert tuning and generalizes across diverse astrophysical domains, enabling adaptive multi-scale simulations.

Can we trust evaluation scores to capture an LLM's true real-world performance? Certifiable evaluation answers this question by providing guarantee for LLM evaluation. In particular, existing methods sequentially curate evaluation samples and keep updating confidence intervals (CIs) that cover the true performance with high probability (e.g., 95%) until some conditions are satisfied, e.g., the CI width reaches a target precision. However, existing methods are not generally anytime-valid: the claimed coverage (e.g., 95%) may fail when CIs are repeatedly updated and used to decide when to stop, leaving a gap between theoretical rigor and practice. This paper bridges this gap by proposing Celeus, a Certifiable framework for Efficient LLM evaluation, which leverages E-processes to build anytime-valid CIs. Concretely, we propose signals that combine two ingredients: (i) Uncertainty-guided sampling to select informative samples for evaluation, and (ii) Surrogate-assisted approximations for unevaluated samples. We prove that such signals remain unbiased for the evaluation score conditional on the past, enabling statistically-grounded and anytime-valid $e$-process CIs. More importantly, the two ingredients reduce estimation variance and help reach the target precision with fewer evaluated samples. We also prove that CIs obtained by Celeus can shrink at a near-parametric rate up to logarithmic factors and analyze the oracle variance-optimal sampling rule that motivates the empirical uncertainty-guided one. Experiments show that Celeus reaches the target precision using 54-62% fewer evaluated samples than baselines, while preserving anytime-valid coverage.

NeuroEvolution of Augmenting Topologies (NEAT) is a widely used neuroevolution algorithm for learning neural network architectures and weights for control tasks. However, standard offline optimisation searches for connection strengths directly, which can scale poorly in high-dimensional weight spaces and more difficult continuous control problems. Hybrid methods that combine neuroevolution with online learning can address this challenge, but their theoretical properties remain underexplored. This paper gives the first regret analysis for a general NeuroEvolutionary Online Learning (NEOL) framework, which decouples learning into two timescales: an outer loop for architecture search and an inner loop for online weight adaptation via rewardmodulated plasticity. Under mild conditions, we prove that NEOL achieves sublinear regret. Empirically, under fixed interaction budgets on four standard control benchmarks, a NEAT-based NEOL implementation achieves higher final fitness and lower variance than pure NEAT, and is competitive with strong reinforcement learning (RL) baselines on several tasks. The results are supported byWilcoxon rank-sum tests and ablation studies. Overall, the findings show that online plasticity can improve the sample efficiency and robustness of two-timescale neuroevolution. Code is available at https://github.com/boobaa2001/NeuroEvolution Online Learning NEOL.

Emergent misalignment (EM) is a phenomenon in which models generalize with narrow fine-tuning, leading to broad (yet uneven) misalignment across evaluation questions. We study EM and its variability directly through the components of fine-tuning: training dynamics, model priors, and data. (1) We first explored how in-domain training loss relates to out-of-domain alignment scores across datasets and model families. Then, we tried to induce potential alternative local minima through different learning schedules for one narrow fine-tuning, but did not find strong runs with better broad alignment scores conditioned on similar or lower training loss. (2) We found that although the mean and standard deviations of the misaligned model scores are usually statistically different from those of the pre-trained model, there are some potential signals on overall positive correlation. The evaluation prompt-only activations from both the pre-trained and the original instruct models (prior to narrow fine-tuning) could predict fine-grained alignment scores after narrow fine-tuning. (3) Finally, we compared activation deltas before and after narrow fine-tuning and found moderate-to-high subspace overlap and similarity between the resulting activation shifts for training and evaluation prompts. Subspace overlaps between training and evaluation prompt activations correlate with their shifts' similarities when measuring with the last prompt-token activations. The train-evaluation data prompt overlap is controlled against overlap computed from random vectors and evaluation prompts activations.

EEG foundation models can learn generalizable representations from large-scale EEG corpora to enable single-backbone transfer across diverse clinical and brain-computer interface tasks. Existing models typically discretize the continuous multi-channel EEG waveform into patches or codebook tokens and train a transformer with masked self-supervision. Recognizing that this discretization fragments continuous brain rhythms and obscures fine-grained temporal dynamics, we present B[FM]$^2$(Brain Foundation Model via Flow Matching), whose inductive bias aligns with the data by pretraining directly on the raw signal using continuous-time flow matching without patches, tokenization, or masking. However, multi-channel EEG signals pose an architectural challenge for flow matching: time is densely sampled and highly autocorrelated (thousands of timepoints), while the electrode axis is short (tens of channels) at distinct scalp positions. To address this time-electrode asymmetry, we introduce SplitUNet, a velocity network that factorizes each block into separate 1D temporal and 1D electrode convolutions and downsamples only along time, preserving electrode topology throughout the hierarchy. B[FM]$^2$ sets a new state of the art on $7$ of $9$ standard downstream EEG classification tasks, using a pretraining budget of only $36{,}895$ segments ($\approx$ 307h), 1-2 orders of magnitude ($\approx$ 30x) less than required by existing EEG foundation models. Further, it generates synthetic EEGs that two board-certified neurologists cannot distinguish from brain data (Cohen's $\kappa = -0.096$). https://jd730.github.io/projects/BFM2

We study the problem of system identification in heterogeneous settings, where different systems may follow distinct underlying dynamics. Existing clustered system identification approaches often rely on iterative training-based cluster assignment, which can be sensitive to learning uncertainty and model initialization. In contrast, we propose a one-shot, training-free clustering method that identifies similar systems using the structure of their locally observed data. Specifically, each system estimates a local state covariance matrix, and cluster identities are inferred by measuring the alignment between the leading covariance eigenspaces of different systems. We provide a mathematical interpretation of the proposed similarity score and develop a finite-sample analysis that characterizes how covariance estimation error induces eigenspace perturbations in terms of the underlying system dynamics. We then bound the probability of pairwise false eigenspace alignment and establish sufficient conditions for uniform inter-cluster eigenspace separation with high probability. Numerical experiments demonstrate that the proposed eigenspace-based clustering method effectively identifies systems with shared dynamics, leading to lower personalized model-estimation error compared with training-based clustering and non-clustered baselines.

Collecting computer use data from human demonstrations is expensive and slow, motivating the need for scalable generation strategies. This requires two key ingredients: environments in which agents can act and verifiers that can judge whether their demonstrations succeeded. We introduce FaraGen1.5, a scalable data pipeline for computer use agents composed of three modular components: environments, solvers, and verifiers. FaraGen1.5 uses both live websites and synthetic environments that faithfully simulate domains gated by authentication or that require irreversible actions. It employs a solver harness that can be powered by multiple models, including strong frontier models such as GPT-5.4, and also incorporates a user simulator to enable multi-turn rollouts. Finally, FaraGen1.5 scores the resulting trajectories with three complementary verifiers covering task correctness, efficiency, and critical-point adherence. Using data produced by this pipeline, we train Fara1.5, a family of native computer use agents (CUAs) at three scales built on Qwen3.5 (4B, 9B, and 27B). To train these models, we employ a supervised finetuning (SFT) recipe that carefully balances data from FaraGen1.5 for broad coverage, specific high-value tasks, and target model deficiencies in an iterative approach. Each model sets a new state of the art (SoTA) for its size class on browser-use benchmarks: Fara1.5-9B reaches 63.4% on Online-Mind2Web and 86.6% on WebVoyager, while Fara1.5-27B achieves 72.3% on Online-Mind2Web, which is competitive with much larger proprietary systems. We also release weights for the Fara1.5 models under MIT license, making SoTA computer use accessible for all beyond closed API-only systems.

We introduce ELADO (Elliptic PDE Assessment Datasets for Operator Learning), a systematic benchmark suite constructed to show and quantify failure modes of neural operator architectures when learning solution operators of elliptic PDEs. While the benchmarks of existing datasets focus on average case performance, the ELADO datasets are constructed to highlight challenges that arise naturally in elliptic PDE problems. In particular, we construct several datasets built around Poisson's equation and the Helmholtz equation, each with non-constant coefficients. We define a controllable data-generating process to create datasets, that are designed to isolate a distinct source of difficulty. Specifically, these are (1) heavy-tailed solution distributions arising from light-tailed coefficient field distributions, (2) spectral distribution shift of the input data, (3) heavy-tailed distributions in the frequency domain of solutions, arising from light-tailed coefficient field distributions, (4) input sensitivity of learned operators, quantified by an empirical local Lipschitz analysis, and (5) the effect of input signal complexity on prediction accuracy under controlled amplitude normalization. We evaluate several neural operator architectures across all datasets and show that heavy-tailed targets, spectral shift, and input sensitivity each cause substantial degradation of the prediction accuracy that standard datasets and metrics (e.g., the mean relative $L^2$ error) may obscure.

Current Vision-Language Models (VLMs) are celebrated for their multilingual capabilities, yet they operate under a flawed assumption: that one language corresponds to a single writing system. This overlooks billions of users of multi-script languages like Punjabi, Serbian, Hindi-Urdu, Kurdish, among many others, for whom a model's capability may be fractured by orthographic bias. We introduce PuMVR (Punjabi Multimodal Visual Reasoning), the first benchmark designed to quantify script-dependent bias through 375 culturally grounded image-reasoning tasks across Punjabi's three active scripts (Gurmukhi, Shahmukhi, Roman). Evaluating 10 state-of-the-art VLMs, we expose a substantial Script Gap: models frequently solve visual puzzles in one script while failing identical tasks in another, with accuracy deltas reaching 16% and Script Consistency Rates (SCR) as low as 24.8%. Crucially, visual input boosts absolute performance but does not close this gap, the relative bias persists. Our analysis suggests reasoning patterns show limited cross-script transferability, and Chain-of-Thought pathways diverge based on script alone. We propose SCR as a core metric for script-agnostic evaluation, challenging current multilingual assessment paradigms and providing a framework for equitable AI.

AI systems for peer review fail on three fronts: they train on Computer Science and Machine Learning venues alone, ignore the iterative dialogue that validates science, and evaluate on stylistic mimicry rather than real editorial judgment. We introduce FirstPass, a dataset and fine-tuned model that addresses all three. Curating 3,668 complete multi-round peer-review dialogues from Nature Communications across five scientific domains (biology, chemistry, neuroscience, physics, and earth science), we exploit mandatory transparent peer review (instituted November 2022) and verify 100% content integrity by automated audit. We fine-tune Qwen2.5-7B-Instruct via Low-Rank Adaptation (LoRA) on three tasks: review generation, reviewer updating, and revision-cycle prediction. Our key finding is that response-only loss masking is a prerequisite, not an optimization: without it, accuracy is 62.0%, below the majority baseline; with it, FirstPass achieves 80.5% accuracy and F1-macro 78.2% on predicting editorial outcomes (Standard vs. Extended revision cycles), outperforming Gemini-3.1-flash-lite-preview zero-shot by 10.4 percentage points and all baselines with statistical significance (McNemar p < 0.001). On generation, FirstPass produces reviews averaging 1,187 words, substantially closer to human references (2,155 words) than any baseline, achieving ROUGE-L 0.154 with significant gains over Qwen and DeepSeek zero-shot (p < 0.001). Deployed in the pre-submission loop as an anticipatory scientific co-author, FirstPass simulates expert critique and predicts revision cycle outcomes before submission, giving authors the judgment a trusted colleague would provide, with consistent cross-domain performance across five disciplines.

Deep learning for 3D medical image segmentation requires extensive manual annotations, a major bottleneck in volumetric medical imaging. Active learning aims to reduce this burden by selecting informative samples for annotation, but most methods assume that an initial labeled set is already available. This leaves the cold-start problem largely unresolved: how to select the first volumes from a fully unlabeled pool before any task-specific model is trained. We propose CSCS, a Curriculum-Stratified Cold-Start framework that adapts initial sample selection to the structure of the unlabeled dataset. CSCS combines two self-supervised, label-free signals: local typicality, measuring representativeness in the embedding space, and reconstruction-based uncertainty, used as a proxy for sample difficulty. These signals are combined through a weighted geometric score, where the weighting is determined by a closed-form pacing rule based on the effective annotation budget and the Difficulty-Coverage Ratio, a pool-level statistic measuring the alignment between difficulty and representativeness. We evaluate CSCS on four 3D medical image segmentation benchmarks: BraTS, FeTA, Spleen, and an in-house fetal MRI dataset. Using nnU-Net as downstream segmentation model, CSCS shows consistently competitive performance across datasets and annotation budgets, with the strongest gains in low-to-mid annotation regimes. These results suggest that dataset-aware cold-start initialization can improve the robustness of active learning for 3D medical image segmentation by adapting sample selection to the geometry of the unlabeled pool.

Reliable spatial decision automation, such as autonomous driving and maritime surveillance, critically depends on robust visual perception. However, real-world spatiotemporal data exhibits severe heterogeneity, often manifesting as extreme long-tail distributions for safety-critical scenarios. This data scarcity induces dataset shift that degrades detection performance and pose safety risks. While synthetic data generation offers a potential solution, existing generative approaches, such as diffusion models and Generative Adversarial Networks (GANs), often lack explicit spatial grounding and structural constraints, resulting in spatial and physical inconsistencies in generated scenes. To address these challenges, we introduce WMGen-v1, an agentic text-based world model framework for long-tail spatial data generation. WMGen-v1 employs a Large Vision-Language Model (LVLM) to construct a structured scene representation from a single reference image, while a Large Language Model (LLM) performs guidance-based scene expansion under physical plausibility and commonsense constraints. Subsequently, conditioned on the structured semantic representations produced by this reasoning process, a diffusion model generates diverse and physically grounded long-tail training data. Experiments on internal industrial datasets, ROADWork, and LaRS benchmarks demonstrate that WMGen-v1 outperforms baseline approaches. Notably, detectors trained solely on WMGen-v1 synthetic data approach real-only performance on aggregate dataset-level metrics, highlighting its potential to alleviate long-tail data scarcity for downstream spatial perception.

Recent multimodal survival prediction models have demonstrated strong predictive performance by leveraging complementary information across modalities. However, such models generally assume data completeness and exhibit limited robustness toward missing modalities, which are frequently encountered in real-world clinical settings. We propose the Evidential Missing Modality Survival Fusion (EMMS) model for multimodal survival prediction under missing modalities. EMMS offers a straightforward, computationally effective approach to survival analysis without requiring a generative phase for missing data. By employing Dempster-Shafer theory and Gaussian Random Fuzzy Numbers for multimodal decision fusion, it considers both aleatoric and epistemic uncertainty alongside modality reliability for fusion. Moreover, the model treats missing modalities as vacuous evidence, preventing interference with available inputs and naturally reflecting increased uncertainty and calibrated predictions. Extensive experiments on four cancer datasets demonstrate state-of-the-art performance while providing calibrated and interpretable uncertainty estimates under incomplete multimodal observations, without introducing additional computational overhead.

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for molecular structure analysis, and spectral artificial intelligence offers great potential for its rapid and automated interpretation. However, the scarcity of experimental NMR datasets has constrained deep learning in this domain to narrow, task-specific applications that lack broad generalization. Here, we introduce UltraNMR, a large-scale foundation model for NMR that leverages the intrinsic properties of NMR spectra to learn generalizable spectral representations. We collected 158 million paired simulated $^{1}$H and $^{13}$C NMR spectra to train UltraNMR, employing multiple domain-specific pre-training objectives. UltraNMR captures both intra-spectral and inter-spectral dependencies, enabling seamless simulation-to-real adaptation. We demonstrate that adapting UltraNMR to a range of molecular structure analysis tasks on experimental NMR spectra consistently yields state-of-the-art performance and clearly outperforms UltraNMR variants trained directly on downstream data without simulation pre-training. We also construct a large-scale NMR spectral vector library by encoding simulated NMR spectra using UltraNMR, covering 94 million unique molecules and enabling effective structure-aware retrieval. In real-world applications, UltraNMR facilitates the structural elucidation of two previously unknown natural products from Chinese herbal medicines recorded in the Chinese Pharmacopoeia. These results suggest that large-scale simulation pre-training can effectively bridge the simulation-to-real gap, enabling robust and generalizable molecular structure analysis of real-world NMR spectra.

LLM reasoning transparency is a critical affordance for understanding model decisions, mitigating misuse and misalignment, and debugging surprising model behaviors. However, DiffusionGemma performs a larger fraction of its computation in a continuous latent space; does this make its reasoning less transparent? We study this question by decomposing transparency into two components: variable transparency, whether we understand intermediate snapshots of a model's computational state; and algorithmic transparency, whether we can use these snapshots to reconstruct the process by which the model arrived at its outputs. Naively, DiffusionGemma has poor variable transparency: its opaque serial depth, the amount of serial computation that occurs in between interpretable model states, seems at first 28.6X higher than the corresponding autoregressive Gemma 4 model. However, we show that we can map the information flowing between denoising steps through an interpretable token bottleneck with no decrease in downstream performance. Treating these intermediate states as interpretable reduces the opaque serial depth to just 1.1X that of Gemma 4. Algorithmic transparency is harder for diffusion models than for autoregressive models because all token predictions in the canvas can change at every denoising step, giving the model the power to implement complicated distributed algorithms during the denoising process. To begin bridging this gap, we conduct a suite of interpretability case studies, uncovering initial evidence of novel diffusion-specific phenomena such as non-chronological reasoning, token and sequence smearing, and intermediate-context reasoning. Finally, we test monitorability, a key application of transparency that measures whether model outputs are useful for downstream tasks. We find that DiffusionGemma is similarly monitorable to Gemma 4.

Egocentric video understanding is inherently limited by the narrow perspective of wearable cameras: a single viewpoint, a single modality, a single model cannot capture the full richness of human action. We argue that a truly expressive egocentric representation must subsume complementary knowledge across viewpoints, modalities, and foundation model representations, yet remain deployable from egocentric video alone. To this end, we introduce a hierarchical multi-teacher distillation framework that produces UNIEGO, a unified egocentric encoder trained with nine teachers spanning ego-exo viewpoints, RGB, depth, and skeleton modalities, and four foundation models. Rather than distilling directly from heterogeneous teachers whose incompatible architectures and feature geometries induce conflicting gradients, our framework interposes a layer of representation-specific Proxy models that translate diverse teacher knowledge into a homogeneous egocentric space. A second distillation stage, Selective Proxy Distillation (SPD), then adaptively selects, for each training sample, the subset of proxies that are both correct and confident, distilling exclusively from reliable supervision and suppressing erroneous signals. SPD is further stabilized by initializing UNIEGO as a learned convex combination of proxy parameters, placing the unified model in a well-conditioned region of the loss landscape before distillation begins. UNIEGO achieves state-of-the-art performance across three egocentric video understanding tasks - action recognition, video retrieval, and action segmentation on three challenging ego-exo benchmarks, outperforming naive multi-teacher distillation baselines and demonstrating that structured, proxy-mediated knowledge transfer yields richer and more discriminative egocentric representations.

A model is multicalibrated on a collection of group weights $G$ if it is calibrated – i.e. unbiased even conditional on its prediction – not just overall, but also after reweighting contexts by each $g \in G$. It is a useful property for many downstream applications and is a basic desideratum of trustworthy machine learning. Before this work, all predictors known to attain the minimax-optimal $\widetilde O(\varepsilon^{-3})$ sample complexity rate for $\varepsilon$-multicalibration were randomized, while deterministic predictors were known only with substantially worse sample complexity. Whether randomization is necessary for optimal sample complexity in multicalibration was explicitly asked by [CLNR26] and implicitly in several prior works. We resolve this open problem by giving a minimax-optimal multicalibration algorithm that outputs a deterministic predictor. We then generalize the algorithm to produce optimal deterministic predictors that satisfy outcome indistinguishability (OI) with respect to finite or finitely covered collections of tests. As an application, this also gives deterministic omnipredictors and panpredictors with optimal sample complexity, resolving open problems posed by [OKK25] and [BHHLZ25].

We place the attention token on the group: a token is an element $g_i$ of a matrix Lie group $G$ – a bare transformation, with no feature payload and no external action $\rho(g)$ carrying it. To our knowledge this is the first attention construction whose tokens are bare matrix Lie group elements: their score is the closed-form algebra norm of the relative pose rather than a learned kernel, and it reaches the affine full-frame groups that every irrep- or surjective-exp-based method must exclude. We call it Lie-Algebra Attention. Once tokens are group elements, the rest follows with none of the usual representation-theoretic machinery. The relative geometry of a pair is canonical, $g_i^{-1} g_j$, so the pairwise invariant $w_{ij} = \log(g_i^{-1} g_j)$ is intrinsic rather than designed; equivariance under the diagonal $G$-action is tautological, and the cocycle condition holds automatically. The attention score is the negative squared algebra norm, $s_{ij} = -\|\log(g_i^{-1} g_j)\|_\lambda^2/\tau$: the canonical proximity kernel under a block-weighted Frobenius inner product, with no irreducible representations, spherical harmonics, Clebsch-Gordan products, or learned kernel. The construction applies to any matrix Lie group on a chosen logarithm chart containing the relative poses, including the non-compact non-abelian affine groups with scale and shear that no vector-token attention method reaches: neither the irrep tradition nor surjective-exp methods. Three sequence-completion experiments, on SE(2), SO(3), and Aff(2), bear this out: the closed-form score matches a learned MLP kernel on the same invariant and outperforms it on SE(2), using 50 to 80x fewer score parameters, while a vector-token baseline breaks invariance by five to twelve orders of magnitude.

Differential privacy (DP) ensures rigorous individual-level privacy guarantees against even the most knowledgeable attackers, but its worst-case nature can impose a costly privacy-accuracy tradeoff. We introduce privacy via predictability, a fine-grained framework that explicitly incorporates the attacker's core knowledge, a compromised portion of the dataset generated by a stochastic process, and a specified family of queries. Predictability measures privacy leakage as the incremental gain in an attacker's ability to predict sensitive information about unknown individuals after observing the algorithm's output, beyond what can already be inferred from the compromised data. We show that predictability and DP are generally incomparable: each can be small while the other is large. However, in the worst-case regime where all but one individual is compromised, and all binary queries are considered sensitive, predictability implies mutual-information DP. More generally, predictability provides a finer-grained privacy metric tailored to specific sensitive information and specific attacker models. We introduce a general framework, using the generalized method of moments (GMM), to analyze asymptotic predictability when the compromised data is generated by a stationary, ergodic, mixing process. Using this analysis, we derive a predictability-calibrated output perturbation scheme for ERM. Our approach is complementary to DP and can be used alongside DP to provide fine-grained privacy control.

Calibration aligns a model's predictive uncertainty with the frequencies of its empirical outcomes and is important for understanding and trusting reported probabilities. Recent work shows that enforcing calibration at the level of individual predictors can improve ensemble accuracy and calibration, with mixture-of-experts (MoE) models showing strong empirical improvements in particular; however, the conditions under which calibration helps MoE are not well understood. In this work, we study how MoE models behave under distribution shift, focusing on how routing mechanisms interact with expert-level calibration. We show that expert calibration is sufficient to ensure calibration of the overall model under a broad class of distribution shifts in hard-routed models, but is insufficient for calibrating soft-routed models. To address this, we propose an adversarial reweighting that penalizes calibration errors of the routed aggregate under distribution shift, and we demonstrate that it improves the accuracy-calibration tradeoff both on average and on difficult subsets of the data, across model classes, prediction tasks, and distribution shifts.

Bayesian predictive inference provides a principled framework for uncertainty quantification, data efficiency, and robust generalization. However, exact inference is often intractable, and scalable approximations may remain computationally expensive or require restrictive modeling assumptions that degrade predictive performance. Prior-Data Fitted and in-context models have recently emerged as an amortized alternative by learning to map datasets directly to predictive distributions, but existing approaches are tightly coupled to the support of the training prior and lack explicit mechanisms for adapting to new priors at test time, resulting in limited robustness under distribution shift. We introduce a multi-task in-context learning framework for amortized hierarchical Bayesian predictive inference that explicitly represents prior information as a prefix of in-context datasets. A transformer trained on sequences of prior and target tasks learns to adapt its predictions across families of priors. On a suite of evaluations with increasing difficulty, including out-of-meta-distribution priors and priors with high-dimensional latent structures, our method matches oracle Bayesian predictors while being orders of magnitude faster. We further demonstrate its practical relevance on a real-world spatiotemporal temperature prediction benchmark. Code is available at https://github.com/martianmartina/multi-task-bayesian-icl/.

Mainstream LLM serving systems reuse prefix work mainly through paged or radix key-value (KV) caches. This is highly effective for high-throughput, high-concurrency serving, but it manages only one positional fragment of execution state: the KV cache. We study the opposite regime: low-latency, small-batch, on-device physical-AI serving, where interactive LLM agents, speech systems, and robot policies repeatedly branch, reset, interrupt, and re-enter under tight responsiveness budgets. We introduce execution-state capsules, a graph-bound checkpoint and restore mechanism for the complete restorable state at a committed boundary. FlashRT is a white-box, backend-facing kernel runtime whose evaluated NVIDIA CUDA backend runs captured graph plans over contiguous static buffers with no block-table indirection. Because the live state is a closed set of named buffers, a capsule can snapshot, restore, fork, or roll back the whole execution boundary, including KV, recurrent state, convolution state, MTP state, and metadata. This moves reuse from token-addressed KV fragments to graph-bound execution-state boundaries. On an RTX 5090, capsule restore is byte-exact at the stored-state level and token-identical under greedy decode. A KV-only ablation diverges, showing that recurrent state is load-bearing. GPU-resident snapshot and restore are sub-millisecond, and TTFT speedup over cold prefill grows from 3.9x at 2k tokens to 27x at 16k tokens. On Jetson AGX Thor and DGX Spark, the same correctness and structural properties hold. Capsules are not a replacement for high-throughput KV-cache serving; they define a complementary latency-first serving point for explicit execution-state reuse.

Autonomous agents are increasingly connected to cloud, deployment, and data-control workflows, but production mutation authority should not reside inside non-deterministic reasoning processes. Existing access-control mechanisms authorize identities, while assurance layers certify proposed actions; neither alone provides a mandatory enforcement point for certified authority at the moment of mutation. This paper introduces the Sovereign Execution Broker (SEB), a runtime enforcement boundary for certificate-bound agentic infrastructure. SEB consumes certificates issued by the Sovereign Assurance Boundary (SAB), verifies that the requested mutation matches the certified execution contract, checks validity windows, policy epochs, revocation epochs, and live-state drift, mints scoped execution identity, invokes infrastructure APIs, and records signed decision and outcome records. By separating proposal, admission, and execution, SEB turns certified authority into a short-lived, revocable, auditable runtime capability, provided that production mutation APIs reject non-broker identities. We present the SEB execution model, certificate and replay-verification predicates, scoped identity semantics, bypass-prevention deployment patterns, failure behavior, and a concrete prototype implementation. We evaluate the prototype on AWS and Kubernetes clusters, measuring latency overheads, revocation propagation, drift detection, and security under fault injection.