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

Stochastic-Dimension Frozen Sampled Neural Network for High-Dimensional Gross-Pitaevskii Equations on Unbounded Domains

arXiv:2604.09361v4 Announce Type: replace Abstract: This paper introduces the Stochastic-Dimension Frozen Sampled Neural Network (SD-FSNN), a novel computational framework for solving high-dimensional Gross-Pitaevskii equation (GPE) on unbounded domain. The proposed method circumvents the curse-of-dimensionality that plagues traditional discretizations and the computational bottlenecks of gradient-based neural network solvers through a synergistic combination of techniques. First, a prescribed Gaussian envelope encodes the far-field decay of the wavefunction, enabling a space-time separation where the spatial approximation is handled by a frozen, single-hidden-layer neural network with data-driven sampled features. This yields a gradient-free formalism where spatial derivatives are analytically precomputed and time-dependence is evolved via reduced ODEs. Second, a stochastic-dimension sampler provides a conditionally unbiased estimate of the spatial operator by evaluating only a small subset of spatial dimensions at each time step, essentially reducing computational and memory costs. Discrete conservation laws are also enforced, ensuring long-term stability. Extensive numerical experiments on GPE in up to 1000 dimensions demonstrate that SD-FSNN achieves significantly higher accuracy and efficiency compared to state-of-the-art methods, including PINNs, randomized feature methods, and tensor-network approaches. The results confirm that SD-FSNN effectively mitigates the Kolmogorov $n$-width barrier for frozen-basis models on structured solution manifolds.

02.
arXiv (CS.AI) 2026-06-18

Compute Efficiency and Serial Runtime Tradeoffs for Stochastic Momentum Methods

arXiv:2606.19179v1 Announce Type: cross Abstract: Stochastic momentum methods such as heavy ball (HB), Nesterov momentum, and variants of Accelerated SGD (ASGD) [Kidambi et al., 2018] are widely used in modern training, but their stochastic benefits depend on two distinct quantities: serial runtime, the number of iterations needed to reach a target accuracy, and compute efficiency (CE), the inverse total gradient-query or FLOP cost. Larger batches reduce serial runtime without hurting CE only when the contraction gap grows linearly with batch size. We study stochastic HB and ASGD for consistent linear regression with Gaussian covariates and prove finite-dimensional, discrete-time lower bounds on their batch-size tradeoffs. Our first result shows that HB does not improve the CE frontier over SGD for arbitrary spectra; rather, it preserves SGD-level CE over a larger batch-size window, allowing larger batches to reduce serial runtime until HB reaches its deterministic accelerated scale. This window can be a factor $\sqrt{\kappa}$ larger than the SGD critical batch size. For ASGD, the picture is more spectrum-dependent: for rapidly decaying power-law spectra, ASGD improves small-batch CE over HB/SGD, but as batch size grows it trades this CE advantage for improved serial runtime. Synthetic linear-regression experiments verify these qualitative regimes, including near-overlap of ASGD and HB for slowly decaying spectra and the predicted CE–serial tradeoff for rapidly decaying spectra.

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

When Does Delegation Beat Majority? A Delegation-Based Aggregator for Multi-Sample LLM Inference

arXiv:2606.08098v2 Announce Type: replace Abstract: Majority voting over sampled answers is the dominant unsupervised aggregator for multi-sample LLM inference. In this paper, we show a delegation-based aggregator (Propagational Proxy Voting, PPV; Sakai et al., 2025) yields an unsupervised consensus rule that beats majority on MMLU-Pro by +1.5 pp overall and +2.24 pp on the non-trivial subset (paired McNemar p ~ 1.0e-14, n = 8,099). Majority discards two signals that every sample carries: within-group letter entropy and between-group reasoning geometry. PPV exposes per-voter levers that consume exactly these two signals: When (how much weight a voter keeps on its own pick) and Whom (how it splits the remainder across peers). We drive When with letter entropy and Whom with per-question-centered embedding cosine. Our method needs no gold labels and no auxiliary training: per-question, we partition 128 sampled generations into 16 groups, compute each group's letter-level semantic entropy and reasoning embedding centroid, and feed both into a stochastic delegation matrix whose stationary distribution selects the consensus answer. We walk through an example in which PPV overturns a clear 10-6 majority for the wrong letter: the 10-voter majority cluster is geometrically incoherent (mean within-cluster cosine -0.02) while the 6-voter minority is tight (+0.26), so propagated delegation mass concentrates on the minority's answer even though entropy alone would keep the majority ahead. We further report delegation strategies with negative results that constrain the design space for unsupervised LLM aggregation. No within-question ensemble of confidence modes closes the oracle gap.

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

Reliability of Probabilistic Emulation of Physical Systems

arXiv:2606.12997v1 Announce Type: new Abstract: Two dominant approaches have emerged for generating probabilistic forecasts of physical systems: generative models, such as diffusion or flow matching; and ensembles of deterministic models with stochasticity injected, trained using the continuous ranked probability score (CRPS) loss. While both approaches have demonstrated strong predictive accuracy, the reliability of their uncertainties has not been systematically assessed. We address this gap by developing a framework to evaluate both approaches across diverse 2D spatiotemporal physical systems, under matched model size and computational budget. We assess the reliability of probabilistic emulation by inspecting the empirical coverage of predictive intervals, while also considering accuracy and computational efficiency metrics. CRPS-trained ensembles typically achieve more reliable uncertainties on both single-step prediction and autoregressive rollouts, demonstrating better coverage than the standard alternative of training generative models in a latent space. Moreover, the CRPS approach offers significantly faster inference. When generative models are trained in ambient rather than a compressed latent space, which is often infeasible for high-dimensional problems, they exhibit comparable coverage to CRPS-trained ensembles, though with substantially larger inference latency. In contrast, when CRPS-trained ensembles are trained in latent space they do not show a marked degradation in coverage with respect to ambient space. Both generative models and CRPS-trained ensembles demonstrate good predictive accuracy. To facilitate future research and application, we release AutoCast, a modular framework implementing both generative models and CRPS-trained ensembles, alongside AutoSim, a flexible dataset generation package for rapid prototyping.

05.
Nature (Science) 2026-06-17

How the zebrafish brain weaves recent experiences into future decisions

作者: 未知作者

Animals often use recent experience to guide future choices. Whole-brain imaging in larval zebrafish (Danio rerio) reveals a dedicated neural circuit that governs history-biased decisions: the thalamus maintains the most recent event as a stable pattern of neuronal activity, and the brainstem integrates recent experiences into a continuous signal that biases future action. Whole-brain calcium imaging in the zebrafish reveals how information about events in the recent past drives future behaviour.

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

NeST: Neuron Selective Tuning for LLM Safety

arXiv:2602.16835v2 Announce Type: replace-cross Abstract: Safety alignment is essential for the responsible deployment of Large Language Models (LLMs). Yet, existing approaches often rely on heavyweight fine-tuning that is costly to update, audit, and maintain across model families. Full fine-tuning incurs substantial computational and storage overhead, while parameter-efficient methods, e.g., Low-Rank Adaptation (LoRA), trade efficiency for inconsistent safety gains and sensitivity to design choices. Safety intervention mechanisms reduce unsafe outputs without modifying model weights, but do not directly shape or preserve the internal representations that govern safety behavior. We present NeST, a Neuron-Selective Tuning framework for efficient post-hoc safety alignment. NeST identifies safety-relevant feed-forward neurons via activation probing on vanilla harmful and benign prompts, clusters neurons with similar activation profiles, and trains shared cluster-level updates while freezing the rest of the model. Importantly, NeST is trained only on vanilla malicious prompts, without using jailbreak-specific attack data, yet generalizes robustly to diverse jailbreaks. The learned updates are then folded into the original weights, incurring no inference-time overhead. Evaluated on 14 open-weight language and multimodal models, NeST outperforms lightweight baselines and approaches full fine-tuning robustness with significantly fewer trainable parameters. On text-only models, NeST reduces average jailbreak attack success rate from 44.5% to 1.1% while training only 0.4M parameters on average. Across multimodal settings, it reduces ASR from 55.3% to 1.1%, and for downstream fine-tuned variants, it restores safety by reducing ASR from 53.8% to 0.8%. These results show that robust, maintainable safety alignment can be achieved by concentrating adaptation on localized, functionally coherent safety structures.

07.
medRxiv (Medicine) 2026-06-16

Language fMRI lateralization success and head motion in pediatric epilepsy patients with ADHD, and improvements based on fMRI task training

Introduction Language functional MRI (fMRI) is a valuable tool for presurgical planning in epilepsy. Functional MRI can be challenging in children, and head motion can compromise its utility. The candidacy of patients with ADHD for fMRI is sometimes queried regarding concerns about possible head motion. In 2020, we implemented an fMRI task training program, via telehealth and/or mock MRI. We aimed to determine whether training increased language lateralisation success and/or reduced head motion in all patients, and in those with ADHD. We also aimed to determine whether patients with ADHD exhibited more head motion during fMRI than those without ADHD. Methods We retrospectively identified 223 epilepsy (85%) and other neurosurgery patients, (241 scans including repeats) with language fMRI at Royal Children's Hospital, Melbourne, Australia, 2016-2024. There were 24 individuals with ADHD listed in the Electronic Medical Record, five of whom had diagnoses of both ADHD and autism; and nine with autism. Language lateralisation success was determined by clinician description recorded as left/right/bilateral in the medical record. 99 patients were provided the training including fMRI task practise. Head motion was quantified by maximum Framewise Displacement (FDmax; mm). Results ADHD was associated with lower language lateralisation success. Training was associated with greater language lateralisation success, across all patients, and in those with ADHD. Regarding ADHD and head motion, outliers in FDmax were seen in 5 young patients with ADHD. Data were trimmed to allow separate investigation of FDmax for the sample with and without extremes of head motion. In untrimmed data, FDmax was significantly higher in patients with ADHD than in those without. In trimmed data, FDmax was on average lower in patients with ADHD than those without, however this was not statistically supported. Regarding training and head motion, across all patients, FDmax was significantly lower for scans with training than without. In patients with ADHD, FDmax was on average lower for scans with training, however training was not associated with FDmax. Conclusions Language fMRI training was associated with higher language lateralization success, particularly in patients with ADHD. Training was associated with reduced head motion across all patients. Although some young patients with ADHD had substantial head motion, most in our sample did not move more than those without ADHD. We conclude that the training program increases success of language fMRI, and that an ADHD diagnosis should not be a contraindication to language fMRI.

08.
arXiv (CS.CV) 2026-06-18

SVHighlights: Towards Extremely Long Sport Video Highlight Detection

While highlight detection for long-form videos is of great practical importance, most existing methods remain limited to short-form content, largely due to the absence of a suitable benchmark. To bridge this gap, we introduce SVHighlights, to the best of our knowledge, the first benchmark for highlight detection in extremely long sports videos, each exceeding one hour in duration, across multiple sports categories. SVHighlights is constructed from pairs of full-length sports videos and their corresponding official highlight videos using a dataset generation pipeline, enabling scalable label generation without conventional per-clip saliency annotation. The benchmark comprises 320 videos with an average duration of 2.00 hours and a total of 640.18 hours, substantially exceeding previous datasets. Existing methods also face fundamental challenges on long videos: models trained on short clips fail to generalize to hour-long content, and their clip-level scoring lacks the broader context needed to identify highlights. To address this and provide a strong baseline, we present TF-SELECTOR, a training-free segment-based approach that divides each video into context-aware segments by merging adjacent shots sharing the same semantic content, and predicts segment-level saliency scores using a large language model with multimodal inputs including visual captions, transcripts, and audio volume. Experiments demonstrate that TF-SELECTOR achieves superior performance across most metrics compared to Video Temporal Grounding (VTG)-tuned baselines, with improvements of +2.50 in HIT@1, +4.04 in HIT@K, and +2.95 in IoU. These results establish SVHighlights as a challenging testbed for long-form highlight detection and demonstrate that a simple segment-based strategy can effectively scale to hour-long videos.

09.
arXiv (CS.AI) 2026-06-15

Where's the Plan? Locating Latent Planning in Language Models with Lightweight Mechanistic Interventions

arXiv:2605.07984v2 Announce Type: replace-cross Abstract: We study planning site formation in language models – where internal representations of structurally-constrained future tokens form during the forward pass, and whether they causally drive generation. Using rhyming-couplet completion as a clean test of forward-looking constraint, we apply two lightweight methods (linear probing and activation patching) across Qwen3, Gemma-3, and Llama-3 at more than ten scales. Probing shows that future-rhyme information is linearly decodable at the line boundary, with signal that strengthens with scale in all three families. Activation patching reveals that only Gemma-3-27B causally relies on this encoding, exhibiting a handoff in which the causal driver migrates from the rhyme word to the line boundary around layer 30. Every other model we test conditions on the rhyme word throughout generation, with near-zero causal effect at the line boundary despite strong probe signal. We localize the Gemma-3-27B handoff to five attention heads through two-stage path patching that recover ~90% of the rhyme-routing capacity at the newline.

10.
arXiv (CS.CV) 2026-06-17

ED3R: Energy-Aware Distributed Disaster Detection Enabled by Cooperative Robotic Agents

Robotics are expected to support environmental monitoring and natural disaster management, where decisions must be made under uncertainty, resource limitations, and strict operational constraints. In critical missions, such as wildfires, robotic agents must not only identify hazardous events with sufficient confidence, but also manage the energy cost and time until detection. This paper introduces ED3R, an energy-aware distributed framework for wildfire detection under uncertainty. ED3R enables hierarchical cooperative decision-making between a robot and a remote controller. The remote controller decides upon the robot's motion, while the robot senses the environment and decides where to execute the wildfire detection (onboard or remotely) and how. The common goal is to detect wildfires with a required confidence while minimizing the energy consumed by any robot operation. ED3R further integrates mechanisms to avoid nearby obstacles, prevent redundant exploration, enable adaptive early mission completion, and ensure feasibility through a custom penalty function. ED3R also introduces a forward-looking capability, enabled through distributed neural regression models that allow the agents to anticipate the future by evaluating candidate strategies before execution. The framework is evaluated through realistic robotics simulations, ablation studies, and baseline comparisons. Overall, ED3R achieves a mission success rate of up to 97.18%. Especially in the most demanding missions, it reduces energy consumption by up to 36.4% and detects wildfires up to 41% faster than baselines.

11.
arXiv (CS.AI) 2026-06-17

TuneAhead: Predicting Fine-tuning Performance Before Full Training Begins

arXiv:2606.17660v1 Announce Type: cross Abstract: Fine-tuning large language models (LLMs) is compute-intensive and error-prone: model performance depends sensitively on data quality and hyperparameter choices, and naïve runs can even degrade model performance. This raises a practical question:can we predict fine-tuning performance before committing to a full training run? We present TUNEAHEAD, a lightweight framework for pre-hoc prediction of fine-tuning performance. TUNEAHEAD encodes each candidate run as a meta-feature vector that combines static dataset descriptors with dynamic probe features from a short standardized probe. A predictor maps these features to performance estimates, while SHAP-based attributions provide interpretable diagnostics that reveal which specific features drive the prediction. Across 1,300+ fine-tuning runs on Qwen2.5-7B-Instruct, TUNEAHEAD consistently outperforms strong baselines such as Early-Stop Extrapolation and ProxyLM. On a held-out test set of 370 runs, TUNEAHEAD achieves an RMSE of 1.47 percentage points and places 95.1% of predictions within +3/-3 percentage points of the true score. These accurate continuous predictions support practical go/no-go screening policies that can reduce unnecessary full fine-tuning while retaining most promising runs.

12.
arXiv (CS.AI) 2026-06-11

Subliminal Learning Is Steering Vector Distillation

arXiv:2606.00995v3 Announce Type: replace Abstract: Subliminal learning refers to a student language model acquiring a teacher's traits (e.g. a system-prompted preference for owls) when fine-tuned on the teacher's outputs, despite the outputs being semantically unrelated to those traits. It remains poorly understood how data without semantic meaning can transfer specific semantic traits. In this work, we show that subliminal learning is mediated by a single steering vector, i.e. a vector added to the model's activations. Across two open-source models, we find that the teacher's system prompt is well approximated by a steering vector, and that the student's behavior is driven by learning an aligned vector over fine-tuning. System prompts that are not well approximated by steering vectors are not subliminally learned. This is a special case of steering vector distillation, in which a student trained on the outputs of a steered teacher learns to imitate that steering. We demonstrate steering vector distillation on a range of semantic and random vectors. Adding a semantic vector to a model's activations can have both model-independent and model-specific (i.e. non-semantic) effects on its behavior, so generated data that is non-semantic can transmit a vector with semantic effects, enabling subliminal learning. This also explains why subliminal learning does not transfer between models. We find that adaptive optimizers are necessary for subliminal learning in language models: activation gradients on steered data carry a small but consistent component along the steering direction, and non-adaptive optimizers impede this by allowing outlier gradients to dominate.

13.
arXiv (CS.AI) 2026-06-17

Agentic AI-based Framework for Mitigating Premature Diagnostic Handoff and Silent Hallucination in Healthcare Applications

arXiv:2606.18068v1 Announce Type: new Abstract: Recent advances in Large Language Models (LLMs) and multi-agent systems have driven the rise of Agentic AI, showing promise for medical reasoning. However, open-ended conversational agents remain prone to two critical failure modes: premature diagnostic handoff and silent clinical hallucinations that may go undetected before reaching the patient. In this work, we propose a multi-agent framework that addresses both issues by replacing ``LLM-as-a-judge'' routing with deterministic orchestration constraints. The framework incorporates two safety mechanisms. First, a neuro-symbolic state-tracking gate enforces completeness of the OLDCARTS clinical protocol (Onset, Location, Duration, Character, Aggravating/Alleviating factors, Radiation, Timing, and Severity) by blocking diagnostic transitions until all required dimensions are collected. Second, an epistemic uncertainty quantification (UQ) gate computes semantic entropy (H) across K=5 independent diagnostic samples to identify and intercept divergent outputs before delivery. We evaluate the system using simulated patient agents powered by the llama-3.1-70b-instruct model on 150 test cases. The full architecture achieves 49.3% diagnostic precision, representing an absolute improvement of 11.3 percentage points over an unconstrained baseline. Additionally, we observe a statistically significant negative correlation (r = -0.181, p < 0.05) between OLDCARTS completeness (\sigma) and semantic entropy (H), suggesting that structured information gathering is associated with reduced diagnostic uncertainty.

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

AgentSpec: Understanding Embodied Agent Scaffolds Through Controlled Composition

LLM agents are increasingly built not as single model calls, but as scaffolded systems that combine reasoning, memory, reflection, action execution, and learning. While such scaffolds often improve performance, they are often embedded in tightly coupled pipelines, making it difficult to isolate component contributions, compare alternative designs, or understand how module interactions shape agent behavior. We introduce AgentSpec, a modular specification framework that represents embodied agents as typed compositions of reusable policy components with standardized interfaces. AgentSpec standardizes the interfaces among perception, memory, reasoning, reflection, action, and optional learning, enabling components to be swapped and recombined under controlled conditions. We instantiate this framework across DeliveryBench, ALFRED, MiniGrid, and RoboTHOR, and analyze reasoning, memory, reflection, and reinforcement-learning modules across model backbones. Our results show that agent performance is governed by scaffold compatibility and interaction effects rather than isolated module strength. In particular, structured multi-granularity memory improves long-horizon state tracking, reasoning and memory interact non-uniformly across environments, reflection trades off correction and cost, and RL-trained policies compose best when optimized with deployment-time scaffold structure. AgentSpec provides a controlled foundation for studying, comparing, and designing composable LLM agents. Our code, baselines and interactive playground are publicly available at https://agentspec-embodied.github.io.

15.
arXiv (CS.LG) 2026-06-17

Exposing the Illusion of Fairness: Auditing Vulnerabilities to Distributional Manipulation Attacks

arXiv:2507.20708v3 Announce Type: replace Abstract: The rapid deployment of AI systems in high-stakes domains, including those classified as high-risk under the The EU AI Act (Regulation (EU) 2024/1689), has intensified the need for reliable compliance auditing. For binary classifiers, regulatory risk assessment often relies on global fairness metrics such as the Disparate Impact ratio, widely used to evaluate potential discrimination. In typical auditing settings, the auditee provides a subset of its dataset to an auditor, while a supervisory authority may verify whether this subset is representative of the full underlying distribution. In this work, we investigate to what extent a malicious auditee can construct a fairness-compliant yet representative-looking sample from a non-compliant original distribution, thereby creating an illusion of fairness. We formalize this problem as a constrained distributional projection task and introduce mathematically grounded manipulation strategies based on entropic and optimal transport projections. These constructions characterize the minimal distributional shift required to satisfy fairness constraints. To counter such attacks, we formalize representativeness through distributional distance based statistical tests and systematically evaluate their ability to detect manipulated samples. Our analysis highlights the conditions under which fairness manipulation can remain statistically undetected and provides practical guidelines for strengthening supervisory verification. We validate our theoretical findings through experiments on standard tabular datasets for bias detection. Code is publicly available at https://github.com/ValentinLafargue/Inspection.

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

Possibilistic Predictive Uncertainty for Deep Learning

Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modeling. Existing methods for uncertainty modeling face a fundamental dilemma: Bayesian approaches provide principled estimates but remain computationally prohibitive, while efficient second-order predictors lack rigorous connections between their specific objectives and epistemic uncertainty quantification. To resolve this dilemma, we introduce Dirichlet-approximated possibilistic posterior predictions (DAPPr), a principled framework grounded in possibility theory. We define a possibilistic posterior over parameters, project it to the prediction space via supremum operators, and approximate the projected posterior using learnable Dirichlet possibility functions. This projection-and-approximation strategy yields a simple training objective with closed-form solutions. Despite its simplicity, extensive experiments across diverse benchmarks show that DAPPr achieves competitive or superior uncertainty quantification performance over state-of-the-art second-order predictors while maintaining both principled derivation and computational efficiency. Code is available at https://github.com/MaxwellYaoNi/DAPPr.

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

The Morse Transform for Discrete Shape Analysis

arXiv:2503.04507v2 Announce Type: replace-cross Abstract: The geometry of an object plays a vital role in modulating its interactions with the physical world. It nevertheless remains difficult to describe geometric information numerically for the purposes of statistical inference or classification tasks. Here, we introduce a new topological transform which leverages directional piecewise-linear Morse theory to quantify the geometry of an embedded object by cataloguing critical points across multiple height-functions. The output of this Morse transform records both the heights and the local topological type (peak, trough or saddle) of the critical points that characterise the underlying shape, retaining finer information than the Euler characteristic transform whilst naturally prioritising a shape's outermost regions. Crucially, this output can be further compressed into a rich but compact feature vector. We benchmark the Morse feature vector as a descriptor for ligand-based virtual screening (LBVS), which intrinsically depends on the shape of molecules. Under a common gradient-boosted tree classification pipeline, Morse descriptors achieve the highest mean AUROC when compared to other topological transform descriptors and to standard shape-based LBVS descriptors.

18.
bioRxiv (Bioinfo) 2026-06-12

From Proteome Mining to Structural Validation: Phosphopyruvate Hydratase as a Structurally Tractable Drug Target in Kinetoplastid Parasites

Chagas disease, caused by Trypanosoma cruzi, demands novel therapeutic strategies that overcome the toxicity and limited efficacy of current treatments. To address this need, herein we report an integrative, target-centric strategy that combines parasite proteome mining, structural modeling, and experimental validation. Functional enrichment and druggability analyses identified phosphopyruvate hydratase (PPH) as a promising candidate due to its essential metabolic role and limited similarity to human homologs. Notably, proteome mining revealed the presence and conservation of PPH across kinetoplastid parasites, including Leishmania donovani, supporting its evaluation beyond T. cruzi. For the selected PPH sequences, AlphaFold-derived three-dimensional models underwent extensive molecular dynamics refinement, yielding stable conformational ensembles suitable for structure-based studies. Using this validated model, virtual screening of the Latin American Natural Products Database - LANaPDB - identified aptosimon as a top-ranked compound candidate. Molecular dynamics simulations further showed ligand-dependent binding behavior, suggesting alternative binding modes distinct from the canonical substrate configuration. In vitro assays demonstrated consistent antiparasitic activity against intracellular T. cruzi amastigotes (IC50 = 3.52 ug/mL) and Leishmania donovani promastigotes (IC50 = 13.06 ug/mL), supporting the biological relevance of the aptosimon-related lignan chemotype, hinokinin, across two kinetoplastid parasite models. Together, these results support PPH as a structurally tractable and biologically relevant candidate target, while identifying an aptosimon-related lignan chemotype, represented experimentally by hinokinin, as a cross-species antiparasitic scaffold that warrants further biochemical target-validation studies.

19.
arXiv (CS.AI) 2026-06-12

A Minimal Model of Bounded Trade-Off Screening in Multi-Attribute Choice

arXiv:2606.13201v1 Announce Type: new Abstract: Human decision-making often involves choosing between multi-attribute alternatives, yet classical models assume fully compensatory utility aggregation despite evidence that people reject options with poor performance on critical attributes. We propose a bounded trade-off reasoning framework in which decisions are governed by a screening process that evaluates the balance between gains and losses across attributes. The model introduces a trade-off tolerance parameter that controls acceptable imbalance and can vary across contexts. Through simulation, we show that this mechanism produces preference patterns that differ from standard utility-based models and captures context-dependent variation in trade-off behavior. These results establish bounded trade-off screening as a plausible computational mechanism for multi-attribute choice and generate testable predictions for future behavioral studies.

20.
arXiv (quant-ph) 2026-06-17

Frequency upconversion of infrared signals via molecular cavity optomechanical systems with gain

arXiv:2606.17877v1 Announce Type: new Abstract: Molecular cavity optomechanical systems have recently emerged as a promising platform for enhancing infrared detection sensitivity, owing to their ability to up-convert low-frequency infrared (IR) photons to visible frequency range. Generally, under red-detuned pumping in such systems, the ideal conversion efficiency of the IR signal approaches 1. To overcome this efficiency constraint, we propose a scheme that incorporates gain into the infrared cavity of a molecular cavity optomechanical system comprising two cavities and an ensemble of N molecules. The upconversion process, which relies on IR absorption and Raman scattering associated with specific vibrational modes, is significantly amplified by the incorporation of gain under the red-detuned conditions. Moreover, our analysis demonstrates that the added noise is maintained near 0.5.

21.
arXiv (CS.AI) 2026-06-11

GPO: Learning from Critical Steps to Improve LLM Reasoning

arXiv:2509.16456v3 Announce Type: replace Abstract: Large language models (LLMs) are increasingly used in various domains, showing impressive potential on different tasks. Recently, reasoning LLMs have been proposed to improve the reasoning or thinking capabilities of LLMs to solve complex problems. Despite the promising results of reasoning LLMs, enhancing the multi-step reasoning capabilities of LLMs still remains a significant challenge. While existing optimization methods have advanced the LLM reasoning capabilities, they often treat reasoning trajectories as a whole, without considering the underlying critical steps within the trajectory. In this paper, we introduce Guided Pivotal Optimization (GPO), a novel fine-tuning strategy that dives into the reasoning process to enable more effective improvements. GPO first identifies the `critical step' within a reasoning trajectory - a point that the model must carefully proceed to succeed at the problem. We locate the critical step by estimating the advantage function. GPO then resets the policy to the critical step, samples the new rollout and prioritizes the learning process on those rollouts. This focus allows the model to learn more effectively from pivotal moments within the reasoning process to improve the reasoning performance. We demonstrate that GPO is a general strategy that can be integrated with various optimization methods to improve reasoning performance. Besides theoretical analysis, our experiments across challenging reasoning benchmarks show that GPO can consistently and significantly enhance the performance of existing optimization methods, showcasing its effectiveness and generalizability in improving LLM reasoning by concentrating on pivotal moments within the generation process.

22.
arXiv (quant-ph) 2026-06-15

Real-time pseudo entropy and modular-Hamiltonian correlations

arXiv:2606.14208v1 Announce Type: cross Abstract: Pseudo entropy is a complex-valued generalization of entanglement entropy defined from a reduced transition matrix. We study the pseudo entropy associated with a real-time transition matrix between an initial pure state and its unitary time evolution. For a subsystem $A$, we show that the short-time behavior of real-time pseudo entropy is governed by the correlation between the physical Hamiltonian $H$ and the modular Hamiltonian $K_A=-\log\rho_A$ of the initial reduced state, $ S_A(t,0)=S_A(0)-it \langle K_A(H-\langle H\rangle)\rangle + \mathcal{O}(t^2)$. For Hermitian dynamics, the initial imaginary response is controlled by the symmetrized covariance of $H$ and $K_A$ with an overall minus sign, while the initial real response is governed by their commutator. Thus the imaginary part of real-time pseudo entropy is not merely a branch artifact: it is a time-oriented modular response generated by the correlation between microscopic time evolution and subsystem coarse graining. We clarify the relation of this result to the known first law of pseudo entropy, derive an all-order expression in a Schmidt-diagonal model, recover thermal pseudo entropy as a special case, illustrate the covariance/commutator decomposition in a two-qubit model, and confirm the covariance response in transverse-field Ising-chain quenches, including a finite-size study of a modular susceptibility near the Ising critical region. We discuss how this amplitude-level oriented response can be related to ordinary entropy production, and also give a concrete $\mathcal{PT}$-symmetric toy-model illustration of the non-Hermitian extension.

23.
arXiv (CS.CL) 2026-06-16

GRACE: Step-Level Benchmark for Faithful Reasoning over Context

Many reasoning tasks require models to reason over input context, from document-grounded question answering to rule-based deduction. Chain-of-Thought (CoT) prompting produces traces that appear transparent, yet individual steps can silently deviate from the source evidence, even when the final answer is correct. Existing methods detect hallucinations at the response level but fail to identify where in the chain a failure occurs or what type it is. We introduce GRACE, the first human-annotated step-level faithfulness benchmark with a data-driven error taxonomy for context-grounded textual reasoning. GRACE covers CoT traces from 10 models across 4 source datasets, with each step annotated for faithfulness, error category, and natural language explanation. A data-driven taxonomy, discovered bottom-up via unsupervised clustering, organizes failures into two tracks: GRACE-Inference (deductive errors) and GRACE-Grounding (factual grounding errors), with four categories each. The evaluation set is human-annotated and challenging by design. Our experiments reveal substantial headroom for current models. In addition, integrating step-level faithfulness signals into reinforcement learning pipelines improves both downstream accuracy and reasoning reliability.

24.
arXiv (CS.AI) 2026-06-18

Machine Unlearning for the XGBoost Model with Network Intrusion Datasets

arXiv:2606.19220v1 Announce Type: cross Abstract: Machine Unlearning (MU) has emerged as an important technique for removing specific data points from trained models without requiring full retraining. However, most existing MU research focuses on deep learning and image data, leaving a gap in the domain of network intrusion detection, which relies heavily on tabular data. This work introduces XGBoost-Forget, an unlearning approach for the XGBoost model, to address this gap. The approach is evaluated on two tabular Network Intrusion (NI) datasets, IoT-23 and GeNIS, using multiple metrics to assess model performance, unlearning efficiency, and forgetting quality. The results show that XGBoost-Forget maintains predictive performance close to the original model while providing significantly faster unlearning, demonstrating its potential for MU in tabular NI settings.

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

EndoCoT: Scaling Endogenous Chain-of-Thought Reasoning in Diffusion Models

Recently, Multimodal Large Language Models (MLLMs) have been widely integrated into diffusion frameworks primarily as text encoders to tackle complex tasks such as spatial reasoning. However, this paradigm suffers from two critical limitations: (i) MLLMs text encoder exhibits insufficient reasoning depth. Single-step encoding fails to activate the Chain-of-Thought process, which is essential for MLLMs to provide accurate guidance for complex tasks. (ii) The guidance remains invariant during the decoding process. Invariant guidance during decoding prevents DiT from progressively decomposing complex instructions into actionable denoising steps, even with correct MLLM encodings. To this end, we propose Endogenous Chain-of-Thought (EndoCoT), a novel framework that first activates MLLMs' reasoning potential by iteratively refining latent thought states through an iterative thought guidance module, and then bridges these states to the DiT's denoising process. Second, a terminal thought grounding module is applied to ensure the reasoning trajectory remains grounded in textual supervision by aligning the final state with ground-truth answers. With these two components, the MLLM text encoder delivers meticulously reasoned guidance, enabling the DiT to execute it progressively and ultimately solve complex tasks in a step-by-step manner. Extensive evaluations across diverse benchmarks (e.g., Maze, TSP, VSP, and Sudoku) achieve an average accuracy of 92.1%, outperforming the strongest baseline by 8.3 percentage points. The code and dataset are publicly available at https://internlm.github.io/EndoCoT/.