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01.
arXiv (CS.AI) 2026-06-24

THEIA: Learning Complete Kleene Three-Valued Logic in a Pure-Neural Modular Architecture

arXiv:2604.11284v5 Announce Type: replace-cross Abstract: We present THEIA, a 2.75M-parameter modular neural architecture that learns the complete Kleene three-valued logic (K3) truth table from task data without external symbolic inference or hand-encoded K3 gate primitives. Across 5 seeds it passes all 39 K3 rules at >99% per-rule accuracy. K3 learnability is not the central finding: Transformer baselines also pass all 39 rules, and flat MLPs match THEIA on Phase-1 accuracy within 0.04pp. The contributions are two properties of the learned system. (1) Uncertainty-verdict asymmetric propagation. THEIA preserves Has-Unknown at every upstream boundary (80.0/91.1/90.8/99.7% across Arith/Order/Set/Logic vs. ~52% majority) while final-verdict decodability stays at or below a 73.4% U-vs-non-U oracle reference under linear and nonlinear probes. Activation patching on non-absorbent T->U cases flips 4,898/4,898 OR and 4,719/4,719 AND pairs across 5 seeds, ruling out residual shortcuts. (2) Reliability spectrum under discretized end-to-end training, on tasks decomposable along the engine boundaries. A mod-3 sequential composition task generalizes from 5- to 500-step evaluation at 99.96+-0.04% (5 seeds). Under identical Gumbel-softmax training, flat MLPs collapse to chance by 50 steps; a 2x2 ResMLP grid reaches >=99% on only 3/20 (config, seed) trials; a pre-LN Transformer reaches 99.24+-0.34%. Straight-through discretization prevents 0.999^500 compounding; the architectural separator is sustaining Phase-1 accuracy under Phase-3 training, where flat MLPs fail. Auxiliary: under per-architecture development defaults (not optimizer-controlled), THEIA reaches 12/12 Kleene coverage 6.5x faster than a parameter-comparable 8L Transformer; this narrows to ~3.6x with Transformer-standard tuning and 4.93x with the same recipe on both. Ratios are config-specific, not asymptotic.

02.
arXiv (CS.CL) 2026-06-11

When Probing Accuracy Saturates, Fragility Resolves: A Complementary Metric for LLM Pre-Training Analysis

Standard linear probing declares a property "encoded" when a classifier on hidden states achieves high accuracy. The protocol works well on a snapshot but breaks across pre-training: probe accuracy saturates within the first few thousand steps, leaving most of training invisible to the instrument. We introduce fragility, a complementary per-layer metric defined as the activation-noise level at which probe accuracy collapses. Fragility is sensitive to both the margin of separability and the redundancy of representation, both of which keep evolving long after accuracy plateaus. Applied to open-checkpoint language models, fragility recovers structure that accuracy alone cannot see. Moralized representations emerge along a lexical $\to$ compositional gradient: lexical moral detection first, compositional moral encoding later. Because probe accuracy on its own tracks how lexically separable a dataset is, we establish the compositional encoding directly, by showing it transfers across construction types that share no contrast tokens. A layer-depth robustness gradient develops monotonically across training while accuracy stays flat. And matched fine-tuning corpora that produce identical probing accuracy leave distinct fragility fingerprints, showing that data curation reshapes probe robustness without changing probe accuracy. In every comparison we test, where probing accuracy returns a flat answer, fragility returns a structured one.

03.
arXiv (CS.CV) 2026-06-12

BrainDINO: A Brain MRI Foundation Model for Generalizable Clinical Representation Learning

Brain MRI underpins a wide range of neuroscientific and clinical applications, yet most learning-based methods remain task-specific and require substantial labeled data. Here we show that a single self-supervised representation can generalize across heterogeneous brain MRI endpoints. We trained BrainDINO, a self-distilled foundation model, on approximately 6.6 million unlabeled axial slices from 20 datasets encompassing broad variation in population, disease, and acquisition setting. Using a frozen encoder with lightweight task heads, BrainDINO supported transfer across tumor segmentation, neurodegenerative and neurodevelopmental conditions classification, brain age estimation, post-stroke temporal prediction, molecular status prediction, MRI sequence classification, and survival modeling. Across tasks and supervision regimes, BrainDINO consistently equaled or exceeded natural-image and MRI-specific self-supervised baselines, with particularly strong advantages under label scarcity. Representation analyses further showed anatomically organized and pathology-sensitive feature structure in the absence of task-specific supervision. Our findings indicate that large-scale slice-wise self-supervised learning can yield a unified brain MRI representation that supports diverse neuroimaging tasks without volumetric pretraining or full-network fine-tuning, establishing a scalable foundation for robust and data-efficient brain imaging analysis. Code is available at https://github.com/mclwu22/BrainDINO

04.
arXiv (CS.AI) 2026-06-12

Exploring How Agent Voice Accents Shape Human-AI Collaboration in K-12 Group Learning

arXiv:2606.12805v1 Announce Type: cross Abstract: Collaboration is widely recognized as a cornerstone of 21st-century education, yet teachers still encounter persistent challenges in fostering productive peer interaction. LLM conversational peer agents introduce new possibilities for mediating in-person group work, raising questions about how persona design, particularly their voice characteristics, shapes learners' perceptions, trust, and interactional dynamics. While prior work has examined agent accent effects in one-to-one settings, little is known about how these effects manifest in groups. We conducted a between-subjects mixed-methods study with 33 teachers examining how a GenAI voice agent with different accents (British, Indian, and African American) influenced collaboration and agent perception. Across surveys, group interaction analyses, and artifacts, we find that accent shaped participants' mental models and the roles the agent assumed in group interaction. The British-accented agent was largely treated as a tool and engaged in detached, utility-based ways, whereas Indian- and African American-accented agents were more readily anthropomorphized and integrated as peers. These role expectations influenced trust, engagement, and reliance over time. This work advances understanding of how GenAI's sociolinguistic design features shape group dynamics in CSCL, with implications for designing culturally inclusive AI partners in group learning.

05.
arXiv (CS.CL) 2026-06-24

BehaviorBench: Benchmarking Foundation Models for Behavioral Science Tasks

Foundation models have been increasingly applied to behavioral science domains such as psychology, sociology, and economics. While these models show promise in individual tasks such as survey response prediction and human-subject experiment simulation, there remains no systematic understanding of how well they perform across diverse behavioral science tasks, contexts, and populations. We introduce BehaviorBench, a comprehensive benchmark that evaluates foundation models along four core capabilities: (1) behavior prediction and simulation, (2) strategic decision-making, (3) subject-trait inference, and (4) behavioral knowledge application. Crucially, BehaviorBench evaluates model outputs at both the individual and distributional levels, capturing not only per-subject accuracy but also population-level alignment, an essential requirement for behavioral validity. Leveraging the tasks in BehaviorBench, we further develop Be.FM-1.5, extending the Be.FM family of behavioral foundation models fine-tuned on behavioral data. Our results reveal a considerable gap: proprietary general-purpose models excel at individual-level prediction and knowledge-intensive tasks, whereas behavioral foundation models, fine-tuned on behavioral data, achieve substantially stronger distributional alignment. Notably, Be.FM-1.5 leads on distributional metrics and remains competitive on individual-level metrics, suggesting that proper behavioral adaptation can close the gap. Our results highlight the importance of distributional evaluation, establish BehaviorBench as a foundation for developing and assessing behaviorally aligned AI systems, and demonstrate Be.FM-1.5's potential for a broad range of behavioral science studies. Our BehaviorBench and Be.FM-1.5 models can be accessed via https://umich-foreseer.github.io/behaviorbench/.

06.
arXiv (CS.LG) 2026-06-15

Riemannian Metric Matching for Scalable Geometric Modeling of Distributions

arXiv:2606.14334v1 Announce Type: new Abstract: High-dimensional datasets often concentrate near low-dimensional structures, but estimating their geometry from samples typically relies on graphs and kernels that scale poorly with dataset size and dimension. We propose Riemannian metric matching: a denoising probabilistic framework for learning the Riemannian geometry of data using neural networks. Specifically, we learn the carré du champ operator, which, using diffusion geometry, gives us access to the Riemannian geometry toolkit for downstream machine learning and statistical tasks. Our key observation is that the carré du champ operator can be formulated as a conditional expectation over random perturbations of the data, which can be exploited for sample-wise training and constant cost, amortized inference without explicit kernel construction. Empirically, metric matching rivals or improves the accuracy of $k$-NN-based diffusion geometry estimators, while enabling amortized inference that is up to $400\times$ faster, and supports graph-free geometric analysis on high-dimensional images where nearest neighbors break down.

07.
arXiv (CS.LG) 2026-06-24

A Theory of Saddle Escape in Deep Nonlinear Networks

arXiv:2605.01288v3 Announce Type: replace Abstract: In deep networks with small initialization, training exhibits long plateaus separated by sharp feature-acquisition transitions. Whereas shallow nonlinear networks and deep linear networks are well studied, extending these analyses to deep nonlinear networks remains challenging. We derive an exact identity for the imbalance of Frobenius norms of layer weight matrices that holds for any smooth activation and any differentiable loss and use this to classify activation functions into four universality classes. On the permutation-symmetric submanifold, the identity combines with an approximate balance law to reduce the full matrix flow to a scalar ODE, giving a critical-depth escape time law $\tau_\star = \Theta(\varepsilon^{-(r-2)})$ governed by the number $r$ of layers at the bottleneck scale rather than the total depth $L$. We find that this same $r-2$ exponent is recovered under He-normal initialization with $r$ bottleneck layers rescaled by $\varepsilon$, where the symmetry manifold is preserved by the flow but not attracting. We find close agreement between our theory and numerical simulations.

08.
arXiv (CS.AI) 2026-06-17

SoK: AI-Augmented Binary Reversing

arXiv:2606.17398v1 Announce Type: cross Abstract: Binary reversing is fundamental to software understanding, vulnerability discovery, malware investigation, and firmware auditing. However, it remains inherently challenging due to the irreversible loss of semantic information during compilation. Recent advances in machine learning, large language models (LLMs), and agentic AI systems have accelerated the adoption of AI-augmented binary reversing. Yet, the resulting body of work has become increasingly fragmented across reversing domains, artifact representations, learning approaches, and evaluation practices. This paper presents the first comprehensive systematization of knowledge on AI-augmented binary reversing. We analyze 144 research papers published since 2015, and organize them into 22 binary reversing domains according to the inference tasks. We further introduce a unified taxonomy spanning conventional and AI-augmented reversing pipelines. Our taxonomy connects traditional analysis techniques, binary-derived artifacts, representation strategies, learning paradigms, and downstream inference tasks, while clarifying the emerging roles of LLMs and agentic AI systems. By establishing a common vocabulary and structured framework, we provide a holistic view of the field's evolution over the past decade. Our study reveals common structures underlying seemingly disparate approaches, highlights persistent technical challenges and evaluation gaps, and identifies promising opportunities for future research. Collectively, these insights clarify the current state of the field and provide a foundation for the next generation of reliable and scalable AI-augmented binary reversing systems.

09.
arXiv (CS.AI) 2026-06-19

Latent Confounded Causal Discovery via Lie Bracket Geometry

arXiv:2606.19610v1 Announce Type: cross Abstract: Recent work on Kan-Do-Calculus (KDC) has established that the boundary between passive observation and active intervention in causal inference is a category-theoretic bi-adjunction, with interventions modeled by left Kan extensions and conditioning by right Kan extensions. This paper introduces two causal discovery algorithms under latent confounding, building on the information-geometric and categorical consequences of KDC. In smooth statistical settings, Radon-Nikodym derivatives between observational and interventional measures induce local causal vector fields; failures of these fields to close under Lie brackets become computable Frobenius residuals, which we interpret as witnesses of failed visible integrability and possible latent or unmodeled structure. Our first algorithm, BRIDGE (Bracket Residuals for Interventional Discovery and Geometric Estimation), combines an interventional density or Radon-Nikodym-ratio engine with a geometric screen that proposes a high-recall family of admissible arrows, identifies non-closing visible pairs as latent-obstruction candidates, and passes the reduced family to downstream score-based or differentiable discovery routines. The second algorithmic contribution, Spectral Kan-Do Flow Matching (SKFM), learns amortized intervention fields and factors latent curvature spectrally, exposing the direct Lie-space endpoint toward which BRIDGE points. A detailed set of experiments show that both algorithms are capable of discovering causal models with latent confounders while collapsing the super-exponential space of possible DAGs by many orders of magnitude. This paper introduces a new paradigm in causal discovery, where latent structure is inferred directly from the geometry of intervention-induced flows.

10.
arXiv (CS.AI) 2026-06-16

Orchestrated Reality: From Role-Play to Living, Playable Game Worlds – LLM-Driven World Simulation as a Parameterized-Action POMDP

arXiv:2606.16014v1 Announce Type: cross Abstract: Many games rely on storytelling combined with systems that track levelling, NPC behaviour, and consequence simulation; bridging tightly-authored narrative with deeply-simulated worlds – most acute in sandbox and open-world settings – has been prohibitively expensive. LLM-driven worlds open a new path: a single harness can coordinate numerical state, narrative voice, storytelling pacing, and rule logic together. Realising this requires the LLM system to sustain a persistent world (who is where, what has just happened, what is currently true), which today's deployed systems do not: the narrative voice asserts state in free prose without any validated representation, so a fully autonomous game engine remains infeasible. We treat this as an architectural choice, not a limitation of language models, and report work in progress on a framework – orchestrated reality – that makes the world a canonical object owned by a singleton orchestration agent analogous to the tabletop-RPG Game Master (GM). We formalise an LLM-driven game world for a human player as a Parameterized-Action POMDP: state is a tree of canonical JSON entities, actions decompose as $a=(k, x_k)$ (a discrete intent kind plus structured JSON parameters), the agent observes only a narrative projection $o=O(s)$ of state, and the transition kernel $F$ is an LLM-driven Plan-Diff-Validate-Apply (PDVA) pipeline that commits schema-validated, content-hashed JSON deltas. We give the formal model, a JSON-state example, a worked single-turn example, and a catalogue of 15 illustrative incidents drawn from a real deployment showing the framework in action. Empirical validation through a planned human player study – together with multi-NPC concurrent agency and deployment as an RL environment – is situated as future work.

11.
arXiv (CS.CV) 2026-06-24

A Geometry-Informed Computer Vision Method for Detecting and Examining Overtaking Vehicles From A Bicycle

Instrumented bicycle studies have produced direct field evidence on vehicle passing behavior, but extracting overtaking events from continuous rear-facing video has remained dependent on manual, frame-by-frame annotation. This bottleneck constrains sample sizes and limits naturalistic cycling safety research. We present a geometry-informed computer vision pipeline that automates overtaking event detection from a single bicycle-mounted camera without multi-sensor configurations or explicit camera calibration. The system combines RT-DETR object detection with ByteTrack multi-object tracking through a three-stage geometric validation module enforcing bearing angle trend, apparent size growth, and spatial confirmation criteria derived from perspective projection principles. Validated on 315 manually annotated real-world overtaking events from urban roads in Ann Arbor, Michigan, the pipeline achieved 97.8% recall with zero false positives. The system identified overtaking intentions a mean of 2.44 seconds before vehicle passage, with 84.1% of events exceeding the 1.5-second human reaction time threshold, demonstrating feasibility for active cyclist warning. Lateral passing distance measurements from 96 events revealed 33.3% of passes below the 5-foot (152.4 cm) threshold, consistent with non-compliance rates in prior field and self-reported studies. A preliminary calibration-free lateral distance estimation approach using bounding box geometric features achieved mean absolute errors of 13-14 cm under leave-one-out cross-validation, sufficient to distinguish close passes from standard passes for safety categorization. By automating event isolation from consumer-grade footage, the system removes the primary annotation bottleneck of instrumented bicycle research and provides a scalable foundation for vehicle-bicycle interaction analysis across larger datasets and diverse urban environments.

12.
arXiv (CS.AI) 2026-06-16

Training and Evaluating Diffusion Policies with Long Context Lengths

arXiv:2606.16447v1 Announce Type: cross Abstract: Imitation learning has enabled highly-dexterous robotic manipulation from RGB observations. Policies trained with these methods, however, typically condition robot actions on only a short history of observations. These policies cannot solve tasks that require memory and can get stuck repeatedly executing the same failing motions. In this work, we first benchmark policy performance as context length is incrementally increased from short to long, across a spectrum of tasks with varying local stability and memory requirements, and in multiple data regimes. To our knowledge, this is the first study to investigate context length in imitation learning at this level of detail. Our results challenge prior claims: naively scaling context length is not as brittle as advertised in literature. With an appropriate conditioning method and denoising backbone (UNet+Cross-Attention), single-task policies achieve high success rates on many tasks in the usual data regime even with naive scaling. Next, we propose a training algorithm to jointly train policies at multiple context lengths, further reducing the sample complexity of long-context learning. Finally, we apply our findings to re-evaluate some previously proposed solutions to long-context imitation learning.

13.
arXiv (CS.AI) 2026-06-16

Hybrid NARX-LLM for Greenland Iceberg Discharge: Prompt-Driven Residual Correction

arXiv:2606.15288v1 Announce Type: cross Abstract: Greenland iceberg discharge exhibits complex nonlinear dynamics with limited observability, challenging traditional predictive models. We present a Hybrid NARX-LLM framework that combines a nonlinear autoregressive model with exogenous inputs (NARX) and a large language model (LLM) for residual correction. We further propose a Physics-Informed Prompt (PIP) method that transforms unstructured physical knowledge into structured prompts for zero-shot in-context reasoning. The primary objective is to explore the corrective potential of this framework for modeling Greenland iceberg discharge, rather than merely optimizing predictive accuracy. The NARX component captures intrinsic temporal dependencies, while the LLM, guided by PIP, encodes glacier dynamics and environmental drivers and perceives key trend patterns to correct systematic prediction errors. This integration allows the model to reason about unmodeled factors and produce interpretable residuals, enhancing overall predictive accuracy. Applied to Greenland iceberg discharge time series, our approach addresses extreme events that are difficult to predict due to rare variations and nonstationary trends, a limitation often overlooked by traditional methods. By fusing structured time-series modeling with knowledge-driven foundation AI, the framework offers a scalable and interpretable pathway to bridge data-limited climate forecasting with physics-informed LLM reasoning. The code is available.

14.
arXiv (CS.LG) 2026-06-11

Physically Constrained Ensemble Gaussian Process Modelling for Expensive Quantum Systems with Heteroskedastic Noise

arXiv:2606.11240v1 Announce Type: cross Abstract: Accurate modeling of quantum many-body systems often requires computationally expensive simulations such as Density Matrix Renormalization Group (DMRG) or Quantum Monte Carlo (QMC) calculations. These methods, while precise, impose significant time and resource constraints, limiting their use in exhaustive parameter exploration. Moreover, these expensive simulations can contain variable errors over the large unknown parameter space, which needs to be quantified and propagated. Thus, predictive modelling is required to estimate the functional space accurately over scarcely sampled data with heteroskedastic noise, while preserving the physical relevance of the estimation. Therefore, we present a Physically Constrained Ensemble Gaussian Process (pc-EGP) framework designed to efficiently model complex and noisy quantum systems under physical consistency constraints. The proposed method first enforces physical constraints as a user controlled weighted penalty to the data-driven loss function of the Gaussian Process (GP) surrogates. Then an ensemble of such GP models is trained with variable noisy simulations via numerical quadrature method where these multiple GP(s) at different nodes is integrated as a quadrature weighted average. We first demonstrate the framework on synthetically generated data before applying to quantum systems. In the first case study, we leverage DMRG simulations of the Bose-Hubbard Model to predict the critical interaction parameter Uc governing the superfluid-to-Mott-insulator transition. In the second case study, we demonstrate our method on QMC simulations, of a quantum liquid confined inside a nanoporous silicate with the goal of optimizing a chemical environment to realize a one-dimensional superfluid. Compared to conventional GP, pc-EGP achieves a better balance of accuracy and physically meaningful predictions.

15.
arXiv (quant-ph) 2026-06-24

Multipartite synchronization residuals in driven-dissipative spin networks

arXiv:2606.24360v1 Announce Type: new Abstract: We introduce a phase-space measure of quantum synchronization that quantifies relative phase localization for two-qubit and three-qubit systems. This measure is built from the first angular moments of phase distributions obtained from Husimi-Q quasiprobability functions. Using this framework, we formulate a new class of synchronization residuals, motivated by subadditivity-type hierarchies of information-theoretic measures. We investigate these residuals in a driven-dissipative quantum Rabi network in the dispersive adiabatic regime. We show that, for two qubits, collective synchronization remains bounded by single-qubit contributions yielding a non-negative bipartite residual. The three-qubit nonequilibrium steady state exhibits a negative tripartite residual, which indicates collective phase synchronization, which cannot be described by pairwise decomposition. The corresponding entropy-based residuals, however, remain non-negative in both cases. Our results therefore, underscore that phase-sensitive synchronization measures and entropic correlation measures probe distinct aspects of open-system dynamics.

16.
arXiv (CS.CL) 2026-06-17

A Two-Phase Stability Study of LLM Judges and Bar Council Examiners on Thai Bar-Exam Free-Form Essays

Free-form legal essay evaluation in NLP treats expert inter-rater stability as a single ceiling number, and treats LLM-judge agreement with that ceiling as evidence of judge stability. We test both assumptions on the Thai bar examination through an identical-inputs protocol: three Bar Council-trained examiners (A, B, C) and a 26-LLM judge panel score the same 15 cross-graded answers from the same four inputs (question, official Bar Council grading regulation, gold answer, candidate answer). The headline finding is asymmetric. On 10 of 15 cells where the rubric prescribes both axes, all 29 raters converge in a tight band: panel agreement is universal. On the remaining 5 cells where the rubric does not prescribe how to grade a correct final answer that omits a decisive statutory citation, the human panel splits between two coherent readings (B/C majority at the upper rubric band, score 6-8; A minority at the lower band, score 1-2). The LLM judge population does not split symmetrically: 22 of 26 LLMs score in or near B/C's contested band, 3 sit in the regulation-silent middle gap, and only 1 (GPT-5.4 Nano) approaches A's band without consistently scoring within it. Zero LLMs in our 26-judge panel reproduce the minority human reading on the contested cells. The B/C-direction cluster spans every model size, vendor, and price tier we tested. An instrumented three-LLM anchor sub-panel (Claude 4.6 Opus, Gemini 3.1 Pro, GPT-5.4 Pro) carries determinism probes, input ablations, and bootstrap CIs, and reaches anchor panel $\alpha = 0.77$ on the 15 cells against human-panel $\alpha = 0.36$. The high LLM-panel $\alpha$ reflects systematic convergence on the majority reading rather than balanced reproduction of both readings; a benchmark that selects its LLM judge by maximising agreement with a human reference panel will inherit this asymmetry by construction.

17.
arXiv (CS.AI) 2026-06-16

Visualizing Uncertainty: Spatial Maps of Missing and Conflicting Evidence in Deep Learning

arXiv:2606.15767v1 Announce Type: cross Abstract: Understanding when and why deep neural networks are uncertain is crucial for deploying reliable machine learning systems in safety-critical domains. While existing uncertainty quantification methods provide scalar measures of model confidence, they offer limited insight into which spatial regions of an input contribute to different types of uncertainty. We propose a novel visualization framework, Uncertainty Activation Map (UAM), that combines Evidential Deep Learning (EDL) with Full-Gradient Class Activation Mapping (FullGrad) to generate interpretable spatial uncertainty activation maps. Our approach distinguishes between two fundamental types of uncertainty: vacuity, representing lack of evidence, and dissonance, capturing conflicting evidence between competing hypotheses. By leveraging the complete gradient decomposition property of FullGrad and the principled uncertainty quantification of Subjective Logic, our method produces theoretically grounded visualizations that highlight specific image regions responsible for model uncertainty. With this framework, vacuity and dissonance activation maps are generated by computing belief-weighted attributions, enabling identification of where models lack knowledge versus where they encounter ambiguous evidence. Extensive evaluations across multiple benchmark datasets demonstrate that the proposed framework effectively addresses the critical gap between uncertainty quantification and explainability, providing intuitive visual feedback to assess model reliability in complex visual recognition tasks.

18.
arXiv (CS.AI) 2026-06-16

Learning in the Recurrent State: Gradient Descent with Linear Recurrent Networks

arXiv:2410.11687v3 Announce Type: replace-cross Abstract: Linear recurrent networks (LRNNs) offer linear-time sequence modeling, but standard recurrent updates do not directly expose the supervised products needed for in-context gradient descent. We propose a sufficient constructive inductive bias for LRNNs: equip a diagonal recurrent state with multiplicative readout and a short sliding-window cross-product self-attention update. The resulting architecture, Gradient-based Recurrent In-context Learner (GRIL), can implement minibatch gradient descent on a task-specific linear predictor during a single forward pass. The same design extends to multi-step updates and cross-entropy classification, with a limited MLP-based extension to non-linear regression. Empirically, trained GRILs recover the behavior and parameters predicted by the construction on synthetic ICL tasks, and the same architectural bias yields useful performance on Long Range Arena and language modelling. These results present windowed cross-product self-attention as a practical, testable inductive bias for LRNNs that learn in context through gradient-descent-like updates.

19.
bioRxiv (Bioinfo) 2026-06-11

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.

20.
arXiv (CS.CL) 2026-06-11

FinTradeBench: A Financial Reasoning Benchmark for LLMs

Real-world financial decision-making is a challenging problem that requires reasoning over heterogeneous signals, including company fundamentals derived from regulatory filings and trading signals computed from price dynamics. Recently, with advances in Large Language Models (LLMs), financial analysts have begun to use them for financial decision-making tasks. However, existing financial question-answering benchmarks for testing these models primarily focus on company balance sheet data and rarely evaluate reasoning about how company stocks trade in the market or their interactions with fundamentals. To leverage the strengths of both approaches, we introduce FinTradeBench, a benchmark for evaluating financial reasoning that integrates company fundamentals and trading signals. FinTradeBench contains 1,400 questions grounded in NASDAQ-100 companies over a ten-year historical window. The benchmark is organized into three reasoning categories: fundamentals-focused, trading-signal-focused, and hybrid questions requiring cross-signal reasoning. To ensure reliability at scale, we adopt a calibration-then-scaling framework that combines expert seed questions, multi-model response generation, intra-model self-filtering, numerical auditing, and human-LLM judge alignment. We evaluate 14 LLMs under zero-shot prompting and retrieval-augmented settings and witness a clear performance gap. Retrieval substantially improves reasoning over textual fundamentals, but provides limited benefit for trading-signal reasoning. These findings highlight fundamental challenges in the numerical and time-series reasoning for current LLMs and motivate future research in financial intelligence.

21.
arXiv (CS.LG) 2026-06-17

Deep Reinforcement Learning for Minimum Zero-Forcing Sets

arXiv:2606.18106v1 Announce Type: new Abstract: This paper explores the problem of finding the minimum zero-forcing set on undirected graphs and proposes an adapted machine-learning framework to solve the problem. The minimum zero-forcing set problem is a graph coloring problem where the color of an initial set of nodes propagates throughout a network. The set of nodes is zero-forcing if it forces all uncolored nodes to change color under the constraint of the color-change rule. There are several applications to this problem across different domains such as network science, network control, and designing logical circuits. Finding the minimum zero-forcing set is shown to be NP-hard. We propose a reinforcement learning framework, SD-ZFS, that adapts the S2V-DQN architecture to the ZFS problem. We train several models on this adapted framework and analyze the performance across graph datasets that have varying structures. We evaluate how the models trained on the framework generalize, scale, and transfer to different network types. The results demonstrate the effectiveness of the framework when compared against the optimal solution and greedy heuristic. We provide further insight into how the ZFS problem can be solved through machine-learning and the influence of network structure on the problem.

22.
arXiv (CS.LG) 2026-06-15

Which Directions Matter? Sparse Design for Affine Robust Optimization

arXiv:2606.14648v1 Announce Type: new Abstract: Robust machine learning and optimization rely on the uncertainty model choice. We investigate which uncertainty directions a model must cover when defined by a finite dictionary and a budget constraint. Selecting a subset forms an atomic uncertainty set with a closed form support function, yielding tractable robust programs for affine objectives. We propose a data driven selection rule based on a coverage objective over evaluation directions, including gradients, adversarial perturbations, or shifts observed on held out data. We prove this objective is monotone and submodular, supporting a greedy method with a $(1-1/e)$ approximation guarantee and a matching hardness barrier. We also provide a certificate bounding the loss from the selected subset and a radius calibration rule with out of sample control.

23.
arXiv (math.PR) 2026-06-24

Queues with Correlated Service Times – the $M/M_D/c$ Model

arXiv:2606.24881v1 Announce Type: new Abstract: This paper studies multi-server queueing systems with correlated service times, modeled as the $M/M_D/c$ queue, which is a natural extension of the recent work by Thapa and Zhao [Thapa-Zhao:2026]. In this model, arrivals follow a Poisson process, while service times across servers exhibit dependence captured by the Marshall–Olkin multivariate exponential distribution (MO-MVED). We first develop a rigorous sample-path construction of the system and establish that the resulting queueing process is a continuous-time Markov chain. We then analyze the stationary behavior of the $M/M_D/c$ model. In the homogeneous case, we derive a complete solution via geometric tail structure and explicit boundary equations, recovering a tractable one-dimensional representation. In the heterogeneous case, we establish a general framework combining a geometric tail with a finite boundary system, and prove existence, uniqueness, and nonnegativity of the stationary distribution. The above results provide a unified analytic framework extending classical $M/M/c$ theory to correlated-service settings, and reveal how dependence among service times fundamentally affects system performance and structure. Beyond the $M/M_D/c$ model, We next study the interplay between Marshall–Olkin service dependence and queue-state Markovianity. On the one hand, Marshall–Olkin dependent service completions are shown to preserve Markovianity for a broad class of queueing systems. On the other hand, if a queueing process admits a Markovian state description without tracking service ages, residual service times, or service phases, then its service mechanism must satisfy a weak multivariate lack-of-memory property and consequently belongs to the Marshall–Olkin family. These results provide a probabilistic foundation for the use of Marshall–Olkin multivariate exponential service times in Markovian queueing models.

24.
arXiv (CS.AI) 2026-06-12

TokaMark: A Comprehensive Benchmark for MAST Tokamak Plasma Models

arXiv:2602.10132v3 Announce Type: replace-cross Abstract: Development and operation of commercially viable fusion energy reactors such as tokamaks require accurate predictions of plasma dynamics from sparse, noisy, and incomplete sensors readings. The complexity of the underlying physics and the heterogeneity of experimental data pose formidable challenges for conventional numerical methods, and highlight the promise of modern data-native approaches. A major obstacle in realizing this potential is, however, the lack of curated, openly available datasets and standardized benchmarks. Existing fusion datasets are scarce, fragmented across institutions, facility-specific, and inconsistently annotated, which limits reproducibility and prevents a fair and scalable comparison of AI approaches. In this paper, we introduce TokaMark, a structured benchmark to evaluate AI models on real experimental data collected from the Mega Ampere Spherical Tokamak (MAST). TokaMark provides a comprehensive suite of tools designed to unify access to multi-modal fusion data and standardize evaluation protocols. The benchmark includes a curated list of 14 tasks spanning a range of physical mechanisms, exploiting a variety of diagnostics and covering multiple operational use cases. A baseline model is provided to facilitate transparent comparison and validation within a unified framework. By establishing a unified benchmark, TokaMark aims to accelerate progress in data-driven AI-based plasma modeling, contributing to the broader goal of achieving sustainable and stable fusion energy. The dataset, benchmark, documentation, and tooling are open-sourced under https://github.com/UKAEA-IBM-STFC-Fusion-FMs/tokamark_baseline.

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arXiv (CS.CL) 2026-06-17

Do We Still Need Humans in the Loop? Comparing Human and LLM Annotation in Active Learning for Hostility Detection

Instruction-tuned LLMs can annotate thousands of instances at low cost. This raises two questions for active learning (AL): can LLM labels replace human labels within the AL loop, and does AL remain necessary when entire corpora can be cheaply labeled? We investigate both on a new dataset of 277,902 German political TikTok comments (25,974 LLM-labeled, 5,000 human-annotated), comparing LLM and human annotation across seven conditions, four encoders, and 10 random seeds. Under a two-question interface that mirrors the human annotation task, LLM annotation at scale outperforms human-supervised classifiers at roughly one-tenth the cost (\$28 for GPT-5.2 Batch API vs. \$316 for Prolific). The advantage holds for both a closed-source (GPT-5.2) and an open-weight (Qwen3.5-122B-10B) LLM, is robust under soft-label evaluation, and is unlocked specifically by the two-question decomposition; a holistic single-prompt baseline only ties with human supervision. AL provides no reliable advantage over random sampling under either LLM annotator. However, error structure varies sharply: only GPT-5.2 under the two-question interface produces classifiers with near-human FP/FN balance, while other LLM variants over-flag border-control and economic competition discourse. We release the dataset and code.