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01.
arXiv (CS.CL) 2026-06-16

SCAR: Semantic Continuity-Aware Retrieval for Efficient Context Expansion in RAG

Fixed-length chunking in Retrieval-Augmented Generation (RAG) often leads to boundary fragmentation, where critical evidence is split across segments, degrading retrieval recall. While static windowing and parent retrieval improve recall, they introduce significant token overhead. We propose SCAR (Semantic Continuity-Aware Retrieval), an adaptive retrieval policy that selectively expands neighboring chunks by weighing query-neighbor relevance against a structural continuity penalty. SCAR uses a relative expansion threshold tied to each retrieved chunk's own query-relevance, yielding an approximately scale-invariant decision rule that transfers across embedding models without recalibration. Across four diverse corpora (RFC, GDPR, a 10-K report, and a Merger agreement; N=320 queries; 160 boundary-fragmented), SCAR achieves 92.8% recall on boundary-fragmented queries with only 7.84 chunks, a 22.9% reduction compared to static windowing (10.16 chunks). Paired bootstrap tests (B=10,000) confirm the chunk reduction is highly significant (p

02.
arXiv (math.PR) 2026-06-12

Counterintuitive problems in discrete probability

arXiv:2606.07516v2 Announce Type: replace Abstract: This manuscript contains a collection of counterintuitive problems in discrete probability, together with detailed solutions. The dataset was constructed as part of a broader research project investigating the capabilities of the latest-generation Large Language Models (LLMs) in solving discrete probability problems, in order to assess whether LLMs tend to make systematic reasoning errors associated with known cognitive biases. The problems collected here are specifically designed to challenge heuristic reasoning strategies that often lead to intuitively appealing but mathematically incorrect conclusions. The dataset combines several types of problems. Some are adapted from classical probabilistic paradoxes and cognitive-bias literature, while others originate from recreational mathematics sources or were developed by ourselves following similar principles. The primary purpose of this document is to provide a transparent and publicly accessible reference for the problems used in our experimental evaluation of language models, as well as providing detailed human-made solutions. At the same time, we believe that this collection may also prove useful for future research on probabilistic reasoning, cognitive biases, and the evaluation of reasoning capabilities in artificial intelligence systems.

03.
arXiv (CS.CV) 2026-06-16

OmniOPSD: Rationale-Privileged On-Policy Self-Distillation for Affective Computing

Reinforcement learning for multimodal large language models (MLLMs) is often hindered by severe reward sparsity in complex reasoning tasks. This challenge is particularly pronounced in human-centered scenarios involving states, emotions, intentions, and behaviors, where heterogeneous multimodal signals and subjective human factors make high-quality chain-of-thought (CoT) annotations expensive and difficult to obtain. Although many multimodal datasets provide expert-annotated ground-truth labels, directly using these labels for supervised fine-tuning may encourage shortcut learning in multimodal perception and provides limited transparency for safety-critical human–AI interaction. To address these limitations, we propose OmniOPSD, a Rationale-Privileged On-Policy Self-Distillation framework that uses frontier-generated rationales as teacher-side privileged evidence rather than student imitation targets. OmniOPSD uses frontier-generated evidence-aware rationales only as training-time privileged evidence context for a local teacher. The student samples its own rollout from the original multimodal input, while the rationale-privileged teacher scores the same tokens and provides dense token-level supervision. Thus, the student learns on its own trajectory distribution without directly imitating frontier-model completions, and inference requires no labels, rationales, CoT annotations, or closed-source model access. Experiments on MER-UniBench show that OmniOPSD achieves state-of-the-art performance with an average score of $84.19$, and ablations further support the value of rationale-privileged teacher guidance.

04.
arXiv (CS.CV) 2026-06-19

Geometry-Aware Superpixel Graph Transformer with Metadata for Skin Lesion Classification

Automated skin cancer classification from dermoscopic images remains challenging due to heterogeneous lesion structure, strong intra-class variability, and subtle visual differences between benign and malignant cases. Existing CNN/ViT pipelines typically rely on global or patch-level features and often combine patient metadata via late fusion, which limits spatially grounded multimodal reasoning. We present a novel region-based graph learning framework that explicitly models lesions as graphs of spatially coherent superpixel regions represented as frozen CNN features. To capture fine-grained lesion arrangements, we encode inter-regional geometry as edge attributes and introduce a dedicated metadata context node connected to all regions, providing structured integration of demographic/clinical variables within the same relational space. Node representations are updated using our edge-aware graph transformer followed by attention-driven propagation, and a final graph-level embedding for benign-malignant classification. Experiments on four public benchmarks demonstrate that explicit region-level relational modeling and graph-native multimodal fusion yield consistent gains over the state-of-the-art. Consequently, we establish a new graph-centric perspective in which CNN features are modeled as relational nodes and improved through contextual integration, yielding more expressive and robust classifications.

05.
arXiv (CS.AI) 2026-06-12

Decentralized Autoregressive Generation

arXiv:2601.03184v3 Announce Type: replace-cross Abstract: The decentralization of autoregressive generation has attracted considerable attention in recent years as a solution to scaling bottlenecks. However, despite promising empirical results, this paradigm currently lacks rigorous theoretical justification. In this work, we formally establish the theoretical equivalence between decentralized and centralized training. To achieve this, we adapt the Discrete Flow Matching framework for autoregressive generation, leveraging its inherent properties to demonstrate that global models naturally decompose into independent experts. Finally, we conduct extensive experiments across diverse multimodal benchmarks, empirically validating that decentralized training maintains competitive parity with standard centralized architectures.

06.
arXiv (CS.LG) 2026-06-16

Near-Optimal Stochastic Linear Bandits with Delay

arXiv:2606.16656v1 Announce Type: new Abstract: We study stochastic linear bandits with delayed feedback under several delay models and establish near-optimal regret guarantees. Our results identify when delayed linear bandits exhibit the same qualitative behavior as multi-armed bandits (MAB), and when the linear structure creates fundamentally new challenges. Specifically, (1) for loss-independent delays, where the delay does not depend on the realized loss (but potentially depends on the arm), we show that delays incur only an additive regret penalty. Under stochastic delays, this penalty scales with the expected delay, while under adversarial delays, it scales with the maximum number of outstanding observations. Notably, both delay penalties are dimension-free, improving upon the state-of-the-art results; (2) for loss-dependent delays, we show that linear bandits are substantially harder than MAB: unlike in MAB, we prove matching (up to log factors) upper and lower bounds in linear bandits, whose delay penalty depends on the square root of the dimension. (3) for the delay-as-payoff model, a special case of loss-dependent delay, we show that the optimal MAB guarantee, which depends only on the delay of the optimal arm, is also unattainable in linear bandits. Together, these results provide a sharp characterization of how delayed feedback interacts with linear generalization.

07.
arXiv (CS.LG) 2026-06-12

Epistemic Uncertainty Is Not the Reducible Kind

作者:

arXiv:2606.12646v1 Announce Type: cross Abstract: The standard taxonomy of predictive uncertainty defines epistemic uncertainty as the part removable by collecting more data, while the standard measure identifies it with a mutual-information term. We prove the definition and the measure are extensionally inconsistent. On an explicit construction, the measure assigns all uncertainty to the epistemic class, yet no quantity of training data reduces it. Reducibility is instead a property of the pair (uncertainty, acquisition class), and the dichotomy resolves into three parts: aleatoric, sample-reducible epistemic, and mechanism-reducible epistemic uncertainty. An exact identity for the value of an observation shows that in-distribution data never reduces mechanism-irreducible uncertainty and generically increases it. Ensemble disagreement, the deployed epistemic estimate, tracks the training procedure rather than the epistemic term. It collapses to zero beneath a positive truth under consistent training, and equals hyperparameter-scaled initialization noise under interpolation. A finite-sample falsification test and seed-swept experiments confirm the theory.

08.
arXiv (quant-ph) 2026-06-15

Geometric mechanisms enabling spin- and enantio-sensitive observables in one photon ionization of chiral molecules

arXiv:2603.02735v3 Announce Type: replace-cross Abstract: We examine spin-resolved photoionization of randomly oriented chiral molecules via circularly polarized light, and revisit earlier predictions of Cherepkov (J. Phys. B: Atom. Mol. Phys. 16, 1543, 1983). We will show that the dynamical origin of spin- and enantio-sensitive observables arise from two intrinsic mechanisms that are quantified by two pseudovectors stemming from the geometric properties of the photoionization dipoles in spin space and in real space, and an extrinsic mechanism which is a directional bias introduced by the well-defined direction of light polarization. These mechanisms arise solely from electric dipole interactions. Consequently, this means that the ten independent parameters that was earlier predicted by Cherepkov to fully describe spin-resolved photoionization of chiral molecules can be reduced as moments of these three pseudovectors. We also find that the molecular pseudoscalars describing the spin- and enantio-sensitive components of the yield can be described by the flux of these pseudovectors through the energy shell, which changes sign upon switching enantiomers. Our results provide compact expressions for these observables which provide an intuitive picture on what determines the strength of these spin- and enantio-sensitive observables. The approach can be readily generalized to photoexcitation, multiphoton processes, and arbitrary field polarizations. Regardless of the specific driving conditions, the resulting spin- and enantio-sensitive observables are still controlled by the same three pseudovectors, underscoring their universal role as the primary generators of chirality-induced spin asymmetries, emphasizing their fundamental geometric origin and the universality of the mechanism identified here.

09.
arXiv (CS.LG) 2026-06-17

The Implicit Bias of Steepest Descent with Mini-batch Stochastic Gradient

arXiv:2602.11557v2 Announce Type: replace Abstract: A variety of widely used optimization methods like SignSGD and Muon can be interpreted as instances of steepest descent under different norm-induced geometries. In this work, we study the implicit bias of mini-batch stochastic steepest descent in multi-class classification, characterizing how batch size, momentum, and variance reduction shape the limiting max-margin behavior and convergence rates under general entry-wise and Schatten-$p$ norms. We show that, without momentum, worst-case convergence and successful classification can only be guaranteed with full-batch gradient. In contrast, momentum enables small-batch convergence to an approximate max-margin solution through a batch-momentum trade-off, though it slows convergence. This approach provides fully explicit, dimension-free rates that improve upon prior results. Moreover, we prove that variance reduction can recover the exact full-batch implicit bias for any batch size, albeit at a slower convergence rate. Finally, we further investigate the batch-size-one steepest descent without momentum, and reveal its convergence to a fundamentally different bias via a concrete data example, which reveals a key limitation of purely stochastic updates. Overall, our unified analysis clarifies when stochastic optimization aligns with full-batch behavior, and paves the way for perform deeper explorations of the training behavior of stochastic gradient steepest descent algorithms.

10.
arXiv (CS.AI) 2026-06-11

Synthetic Homes: A Multimodal Generative AI Pipeline for Residential Building Data Generation under Data Scarcity

arXiv:2509.09794v5 Announce Type: replace Abstract: Computational models have emerged as powerful tools for multi-scale energy modeling research at the building and urban scale, supporting data-driven analysis across building and urban energy systems. However, these models require large amounts of building parameter data that is often inaccessible, expensive to collect, or subject to privacy constraints. We introduce a modular, multimodal generative Artificial Intelligence (AI) framework that integrates image, tabular, and simulation-based components and produces synthetic residential building datasets from publicly available county records and images, and present an end-to-end pipeline instantiating this framework. To reduce typical Large Language Model (LLM) challenges, we evaluate our model's components using occlusion-based visual focus analysis. Our analysis demonstrates that our selected vision-language model achieves greater visual focus than a GPT-based alternative for building image processing. We also assess realism of our results against a national reference dataset, finding that our synthetic data overlaps more than 95% for three of the four selected variables. This work reduces dependence on costly or restricted data sources, lowering barriers to building-scale energy research and Machine Learning (ML)-driven urban energy modeling, and therefore enabling scalable downstream tasks such as energy modeling, retrofit analysis, and urban-scale simulation under data scarcity.

11.
arXiv (CS.CL) 2026-06-15

The Holistic Storage of Verb+Up Phrases in Text-based and Audio-based Language Models

A crucial aspect of linguistic capability is the ability to trade off between stored representations and abstract knowledge: one must retrieve learned representations, but also generate novel ones by applying productive rules. While recent work has examined abstract knowledge in language models, holistic storage of multi-word units has received far less attention. We probe internal representations in text-based LLMs and an ASR model, testing whether V+up phrasal verbs develop distinct representations as a function of frequency and predictability. All models show evidence of holistic storage driven by frequency and predictability, further supporting usage-based theories of language.

12.
arXiv (CS.LG) 2026-06-12

Central Limit Theorems for Stochastic Gradient Descent Quantile Estimators

arXiv:2503.02178v3 Announce Type: replace-cross Abstract: This paper develops asymptotic theory for quantile estimation via stochastic gradient descent (SGD) with a constant learning rate. The quantile loss function is neither smooth nor strongly convex. Beyond conventional perspectives and techniques, we view quantile SGD iteration as an irreducible, periodic, and positive recurrent Markov chain, which cyclically converges to its unique stationary distribution regardless of the arbitrarily fixed initialization. To derive the exact form of the stationary distribution, we analyze the structure of its characteristic function by exploiting the stationary equation. We also derive tight bounds for its moment generating function (MGF) and tail probabilities. Synthesizing the aforementioned approaches, we prove that the centered and standardized stationary distribution converges to a Gaussian distribution as the learning rate $\eta\rightarrow0$. This finding provides the first central limit theorem (CLT)-type theoretical guarantees for the quantile SGD estimator with constant learning rates. We further propose a recursive algorithm to construct confidence intervals of the estimators with statistical guarantees. Numerical studies demonstrate the effective finite-sample performance of the online estimator and inference procedure. The theoretical tools developed in this study are of independent interest for investigating general SGD algorithms formulated as Markov chains, particularly in non-strongly convex and non-smooth settings.

13.
arXiv (CS.AI) 2026-06-19

DynAMO:Dynamic Asset Management Orchestration via Topological Multi-Agent Scheduling

arXiv:2606.19382v1 Announce Type: cross Abstract: While LLM-powered agents offer end-to-end automation for industrial asset lifecycles, real-world Industry 4.0 deployment is hindered by latency, concurrency instability, and safety risks. We present DynAMO (Dynamic Asset Management Orchestration), a deployment-ready engine using a Plan-then-Execute architecture to generate verifiable workflow graphs. DynAMO supports both SequentialWorkflow (topological execution) and ParallelWorkflow (dependency-aware concurrency). By dynamically identifying independent tasks, DynAMO preserves structural correctness and safety while significantly improving efficiency through controlled reasoning overlap. Across six controlled experiments on the AssetOpsBench industrial benchmark, DynAMO demonstrates substantial performance and robustness gains. Parallel execution reduces end-to-end latency by a median of 1.6x over sequential orchestration, rising to 1.8x on highly parallelizable workflows. After instrumenting external tool calls with realistic latencies, a latency decomposition shows that LLM reasoning and orchestration still account for more than 90% of execution time, identifying model inference as the primary system bottleneck. Structured context pruning reduces inference latency by approximately 30%, and DynAMO maintains correct functional behaviour (task completion, agent sequencing, and output quality) while exhibiting graceful degradation under controlled fault injection. Reproducibility analysis further confirms stable execution under repeated runs, with parallel scheduling reducing latency variance. These findings establish DynAMO as a practical blueprint for scalable, safe, and latency-aware agent deployment in Industry 4.0 automation pipelines. Code is available at: https://github.com/kushwaha001/DynAMO

14.
arXiv (CS.AI) 2026-06-15

No Accidental Software Agent First Canonical Code for Human Code Entropy Reduction and 30 to 500 times Lower Frontier Model Requirements

arXiv:2606.14357v1 Announce Type: cross Abstract: Frontier coding models may spend substantial capacity learning not only program behavior, but also accidental entropy in human repositories. Such repositories contain valuable signals: tests, incidents, migrations, edge cases, product judgment, and operational history. These signals are entangled with framework churn, naming drift, generated-source ambiguity, dependency rituals, CI dialects, weak proof routes, and human-oriented review customs. We propose agent-first canonical code, a proof-carrying substrate that rewrites routine product software into canonical behavior profiles, typed change algebra, proof lanes, constrained edit grammars, semantic patch cells, runtime negative memory, and proof-carrying change objects. The core hypothesis is that quotienting software by behavior equivalence under a declared oracle can collapse equivalent encodings into governed representatives with explicit evidence and proof obligations. The endpoint is amortized cost per verified correct change, including source, context, reasoning, tools, verification, security, provenance, review, failed loops, defects, and foundry cost under a common oracle. Reported reduction bands are hypotheses, not measured frontier results. The proposed limit is a No-Accident Horizon: removable accident decreases until residual novelty, evidence, governance, risk, and future optionality dominate. For supported routine-product distributions, this gives a defensible planning target near 100-fold all-in cost reduction, not a guarantee for all software. Preliminary QLoRA experiments on Qwen2.5-Coder-14B show that 64,088 canonical trajectories are learnable and suppress tested forbidden-language markers, but do not establish behavior preservation, scaling economics, or verified-change cost. The contribution is a falsifiable program centered on minimum functional description length and verified-change cost.

15.
arXiv (CS.CV) 2026-06-16

Learning Sparse Latent Predictive Foundation Model for Multimodal Neuroimaging

Brain MRIs are routinely acquired as multiple complementary sequences with unique contrast weighting, including T1-weighed imaging (T1w) anatomic and fluid-sensitive T2-weighted (T2w) contrasts. However, methods for learning unified representations across the multitude of MRI contrast mechanisms at health-system scale are lacking. In this study, we introduce Neuro-JEPA, a sparse multimodal neuroimaging foundation model that combines a latent predictive objective with a Mixture-of-Experts architecture to encode brain MRI across core T1w, T2w, and fluid-suppressed FLAIR imaging (FLAIR). We further provide a systematic methodological study of architectural, masking, objective, and sparsity design choices beneficial for robust neuroimaging multimodal representation learning. Neuro-JEPA was pretrained on 1,551,862 scans from 428,647 studies after modality-specific preprocessing with data curation across three core structural brain MRI sequences. We evaluated the learned representations across clinical and research settings, including 25 tasks from three health systems: NYU Langone, NYU Long Island, and Massachusetts General Hospital, and 22 tasks from 12 public datasets, covering unimodal, multimodal and cross-domain evaluation configurations. Across these benchmarks, existing neuroimaging foundation models showed inconsistent gains over a simple convolutional neural network (CNN) baseline, whereas Neuro-JEPA achieved stronger and more consistent performance across all evaluated settings. These results establish a scalable methodological framework for multimodal neuroimaging representation learning and highlight the need for foundation model evaluation protocols that include simple baselines, clinically heterogeneous cohorts and controlled multimodal comparisons.

16.
arXiv (quant-ph) 2026-06-16

Communication Complexity of Distributed Unitary Synthesis

arXiv:2511.04250v2 Announce Type: replace Abstract: We study space-bounded communication complexity for unitary implementation in distributed quantum processors, where we restrict the number of qubits per processor to ensure practical relevance and technical non-triviality. We model distributed quantum processors using distributed quantum circuits with nonlocal two-qubit gates, defining the distributed communication complexity of a unitary as the minimum number of such nonlocal gates required for its realization, up to permutations of data qubit positions. Our contributions are twofold. First, for general $n$-qubit unitaries, we improve upon the trivial $O(4^n)$ communication bound. Considering $k$ pairwise-connected processors (each with $n/k$ data qubits and $m$ ancillas), we prove the communication complexity satisfies $O\left(\max\{4^{(1-1/k)n - m}, n\}\right)$ – for example, $O(2^n)$ when $m=0$ and $k=2$ – and establish the tightness of this upper bound. We further extend the analysis to approximation models and general network topologies. Second, for special unitaries, we show that both the Quantum Fourier Transform (QFT) and Clifford circuits admit linear upper bounds on communication complexity in the exact model, outperforming the trivial quadratic bounds applicable to these cases. In the approximation model, QFT's communication complexity reduces drastically from linear to logarithmic, while Clifford circuits retain a linear lower bound. These results offer fundamental insights for optimizing communication in distributed quantum unitary implementation, advancing the feasibility of large-scale DQC systems.

17.
arXiv (CS.LG) 2026-06-18

Stealthy World Model Manipulation via Data Poisoning

arXiv:2606.18697v1 Announce Type: new Abstract: Model-based learning agents use learned world models to predict future states, plan actions, and adapt to new environments. However, the process of updating world models from collected experience creates a training-time attack surface: adversarially poisoned fine-tuning trajectories can manipulate the learned dynamics and thereby corrupt downstream planning. In this paper, we propose SWAAP, the first two-stage data poisoning framework for learned world models. In the first stage, SWAAP identifies a harmful target world model that induces low-return behavior under planning while remaining close to clean dynamics, using first-order bilevel optimization enabled by a transition-gradient theorem. In the second stage, SWAAP realizes this target through stealth-constrained gradient matching, modifying only a limited fraction of fine-tuning transition targets so that the induced training gradients steer the victim model toward the adversarial target, while a prediction-error regularizer encourages the poisoned targets to remain close to the world model's natural approximation error. To assess attack stealthiness, we evaluate defenses and detectability across three stages of the poisoning pipeline: pre-training detection of poisoned transitions, robust training during fine-tuning, and test-time monitoring of the resulting world model. Across diverse continuous-control tasks, SWAAP causes substantial performance degradation while keeping poisoned transitions close to clean data and evading the evaluated non-adaptive residual/CUSUM/TRIM-style defenses. These results reveal a practical vulnerability in world-model adaptation pipelines and highlight the need for robustness methods that protect both world-model training data and learned dynamics.

18.
arXiv (CS.AI) 2026-06-17

Timestamp-Aware Spatio-Temporal Graph Contrastive Learning for Network Intrusion Detection

arXiv:2606.17109v1 Announce Type: cross Abstract: Given their effectiveness in modeling the relational structure among network traffic flows, graph neural networks (GNNs) have been widely adopted in network intrusion detection systems (NIDSs). However, most existing GNN-based NIDS approaches focus on the relational structure of traffic flows, and treat them as temporally independent, which limits their ability to cope with evolving attack behaviors. Moreover, their reliance on supervised or semi-supervised learning often restricts generalization to unseen attacks. To address these limitations, we propose a novel self-supervised GNN-based framework. To the best of our knowledge, the proposed model is among the first self-supervised GNN-based NIDS models to explicitly leverage real timestamps, which provides faithful temporal dependencies for representation learning. We first construct a series of temporal graphs from network traffic flows according to their timestamps, and then employ an E-GraphSAGE and LSTM based encoder to fully extract temporal information and spatial dependencies of network traffic, without introducing time-costly attention mechanisms. A multi-view graph contrastive learning (GCL) scheme is introduced, where temporal, spatial, and feature contrasts are jointly performed to capture temporal continuity, preserve structural consistency, and improve the generalization and robustness of the learned representations, respectively. In addition, a gradient-norm-based adaptive weighting strategy is designed to optimize the contrastive loss weights. Experimental results on four representative NIDS datasets with real timestamps demonstrate that our method significantly outperforms existing self-supervised approaches and achieves performance comparable to the supervised state-of-the-art GNN method, while maintaining high computational efficiency.

19.
arXiv (CS.CL) 2026-06-15

ScoreGate: Adaptive Chunk Selection for Retrieval-Augmented Generation via Dual-Score Statistical Fusion

Fixed-cardinality retrieval injects a constant top-K chunks into the generator regardless of query complexity, causing over-retrieval for narrow queries and under-retrieval for compositional ones. We describe ScoreGate, a lightweight score-space decision mechanism that controls retrieval cardinality at inference time using two scores already produced by the standard pipeline: bi-encoder similarity s_i and cross-encoder reranker score r_i, with no additional model inference calls required. Its core insight is that cross-encoder affirmation can rescue semantically relevant chunks that bi-encoder retrieval ranks poorly due to vocabulary mismatch – a failure mode unaddressed by fixed-K or single-score thresholding. On MS MARCO (200 dev queries), ScoreGate achieves MRR@10 = 0.401 with 35% fewer retained chunks than Standard Top-K. On an internal benchmark (n=300, Fleiss' kappa=0.87), ScoreGate observed zero false positives (95% CI [96.4%, 100%]) at 97.77-99.34% recall, with 34.8% fewer tokens per query and only 31ms added latency. Results on both MS MARCO and real-world production traffic suggest that adaptive retrieval cardinality can improve retrieval efficiency without degrading retrieval quality.

20.
arXiv (CS.CV) 2026-06-18

Stimulus Motion Perception Studies Imply Specific Neural Computations in Human Visual Stabilization

Even during fixation the human eye is constantly in low amplitude motion, jittering over small angles in random directions at up to 100Hz. This motion results in all features of the image on the retina constantly traversing a number of cones, yet objects which are stable in the world are perceived to be stable, and any object which is moving in the world is perceived to be moving. A series of experiments carried out over a dozen years revealed the psychophysics of visual stabilization to be more nuanced than might be assumed, say, from the mechanics of stabilization of camera images, or what might be assumed to be the simplest solution from an evolutionary perspective. The psychophysics revealed by the experiments strongly implies a specific set of operations on retinal signals resulting in the observed stabilization behavior. The presentation is in two levels. First is a functional description of the action of the mechanism that is very likely responsible for the experimentally observed behavior. Second is a more speculative proposal of circuit-level neural elements that might implement the functional behavior.

21.
arXiv (quant-ph) 2026-06-19

Applications of quantum annealing to magnetic dipole hyperfine structure constants: First results beyond energies for atoms

arXiv:2606.20166v1 Announce Type: new Abstract: We report the first results of the magnetic dipole hyperfine structure (HFS) constants of neutral $\mathrm{Li}$, Li-like $\mathrm{Be}$, neutral $\mathrm{Na}$, and Na-like $\mathrm{Mg}$ using a modified version of the Quantum Annealer Eigensolver (QAE) algorithm on D-Wave's quantum hardware. The results are benchmarked against relativistic configuration interaction with multiconfiguration Dirac Hartree-Fock (MCDHF) calculations using the General-purpose Relativistic Atomic Structure Package (GRASP), and simulated annealing. In our modified QAE, a zooming-and-sigma-annealing approach with a floating-point encoding scheme is adopted to estimate the ground-state eigenvalue and eigenvector of the relativistic Dirac-Coulomb Hamiltonian matrices ($H_{\mathrm{DC}}$) constructed from 11 or fewer configuration state functions (CSFs). For calculations with extended correlation orbital sets, we applied a CSF truncation scheme, retaining only CSFs (up to 12) that make significant contributions to the ground-state wavefunction. Our modified QAE precision is kept limited to three decimal places (up to 10 qubits). Hardware demonstrations on the D-Wave quantum processing unit (QPU) yielded results that were completely consistent with GRASP (at the chosen precision) in determining the magnetic dipole HFS constants, with accuracy varying across systems and $H_{\mathrm{DC}}$ matrix dimensions.

22.
bioRxiv (Bioinfo) 2026-06-10

APOSM: Pairwise preference learning improves generative small-molecule design

Small-molecule lead refinement is constrained by the cost of synthesizing and assaying candidates, making the surrogate models that prioritize compounds for experimental testing central to the design process. The reliability of such surrogates is limited by the noise and sparsity of screening measurements. We show that training the surrogate on pairwise comparisons between candidate molecules, rather than on absolute predicted scores, yields a substantially more reliable signal for active candidate selection in this regime. We develop APOSM, an active-learning algorithm that combines a fragment-based generator, a pairwise message-passing graph neural network surrogate, and probabilistic ranking inside a batched acquisition loop. On the Practical Molecular Optimization benchmark and a GPCR ligand rediscovery task, APOSM improves target attainment and sampling efficiency over unguided fragment-based optimization, the Graph-GA genetic algorithm, and a pointwise-regression ablation, with the largest gains on tasks where absolute scores are hardest to calibrate.

23.
arXiv (CS.LG) 2026-06-11

My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents

arXiv:2606.11256v1 Announce Type: cross Abstract: Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes. We introduce My Chemical Harness, a route-native evolutionary framework for goal-directed molecular design in which the search population consists of executable synthetic pathways rather than isolated molecular graphs. Each route is built from purchasable building blocks and reaction templates, executed by deterministic chemistry tools, and scored through task-specific molecular oracles. Large language models (LLMs) are used only as strategy controllers that select high-level preferences over route length, move type, reaction families, motifs, and exploration pressure, while local code performs route construction, validation, deduplication, scoring, selection, and memory updates. This separation lets the LLM guide exploration without allowing it to introduce hallucinated products or unsupported reaction steps. On a soluble epoxide hydrolase proxy task, our LLM agent improves over single pass LLM and deterministic controllers, reaching state-of-the-art performance across the sEH score, synthetic accessibility score, and AiZynthFinder success rate metrics. These results suggest that constrained LLM agents can play a significant role in molecular discovery without requiring training, fine-tuning, or dedicated generative models.

24.
Nature (Science) 2026-06-17

Molecular basis of polyadenylated RNA fate determination in the nucleus

作者:

Eukaryotic genomes generate a plethora of polyadenylated (pA+) RNAs1,2, which are packaged into ribonucleoprotein particles (RNPs). To ensure faithful gene expression, functional pA+ RNPs, including protein-coding RNPs, are exported to the cytoplasm, whereas transcripts within non-functional pA+ RNPs are degraded in the nucleus1–4. How cells distinguish these opposing fates remains unknown. The DExD-box ATPase UAP56 (also known as DDX39B) is a central component of functional pA+ RNPs, and promotes their docking to the nuclear pore complex-anchored TREX-25,6, which triggers transcript release from UAP56 to facilitate export7. Here we reveal that the poly(A) tail exosome targeting (PAXT) connection8 binds a TREX-2-like module, which releases pA+ RNAs from UAP56 for decay by the nuclear exosome. The core of this module consists of a LENG8–PCID2–SEM1 trimer, which we show is structurally and biochemically equivalent to the central GANP–PCID2–SEM1 trimer of TREX-2. Mutagenesis and transcriptomic data demonstrate that the nuclear fate of pA+ RNPs is governed by the contending actions of nucleoplasmic PAXT and nuclear pore complex-associated TREX-2, which interpret RNA-bound UAP56 as a signal for RNA decay or export, respectively. As RNA targets of PAXT are generally short and intron-poor, we propose an overall model for pA+ RNP fate determination whereby the distinct sub-nuclear localizations of PAXT and TREX-2 govern the degradation of short non-functional pA+ RNAs while allowing export of their longer and functional counterparts. Biochemical, structural and cell biological analyses reveal that UAP56 (DDX39B) assembles with a TREX-2–like module that redirects non-functional polyadenylated RNAs from export to degradation.

25.
arXiv (CS.AI) 2026-06-19

ScholarQuest: A Taxonomy-Guided Benchmark for Agentic Academic Paper Search in Open Literature Environments

arXiv:2606.20235v1 Announce Type: cross Abstract: Academic paper search is a core step in scientific research, and LLM-based search agents are emerging as a promising paradigm for iterative, intent-driven literature exploration. However, existing benchmarks are insufficient for systematically evaluating agentic academic search under realistic open literature environments. We propose ScholarQuest, a large-scale, taxonomy-guided benchmark for agentic academic paper search. ScholarQuest is constructed from over 1,000 computer science topics and four representative research intents, including method-oriented, setting-anchored, comparison-based, and scope-controlled queries. It further provides scalable answer construction and a shared retrieval backend ScholarBase for reproducible evaluation. Benchmarking results show that agentic methods outperform single-shot retrieval baselines, yet the best-performing agent only achieves 0.314 Recall@100 and 0.355 Recall@All, indicating substantial room for improvement. In addition, analyses of search efficiency, intent-level robustness, and failure cases further highlight the benchmark's ability to provide multi-dimensional evaluation signals for academic paper search agents.