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01.
arXiv (CS.AI) 2026-06-12

Mechanical Conscience: A Mathematical Framework for Dependability of Machine Intelligenc

arXiv:2605.03847v2 Announce Type: replace Abstract: Distributed collaborative intelligence (DCI), encompassing edge-to-edge architectures, federated learning, transfer learning, and swarm systems, creates environments in which emergent risk is structurally unavoidable: locally correct decisions by individual agents compose into globally unacceptable behavioral trajectories under uncertainty. Existing approaches such as constrained optimization, safe reinforcement learning, and runtime assurance evaluate acceptability at the level of individual actions rather than across behavioral trajectories, and none addresses the multi-participant, uncertainty-laden nature of DCI deployments. This paper introduces mechanical conscience (MC), a novel concept and simplified mathematical framework that operationalizes trajectory-level normative regulation for both single-agent and distributed intelligent systems. Mechanical conscience is defined as a supervisory filter that minimally corrects a baseline policy's actions to reduce cumulative deviation from a normatively admissible region, while accounting for epistemic uncertainty. We introduce associated constructs, conscience score, mechanical guilt, and resonant dependability, that provide an interpretable vocabulary and computable governance signals for this emerging field. Core theoretical properties are established: admissibility equivalence, existence of optimal regulation, and monotonic deviation reduction. Illustrative results demonstrate that MC-regulated agents maintain trajectory-level normative acceptability where conventional controllers drift outside admissible bounds, and that the framework naturally extends to suppress interaction-induced emergent risk in multi-agent DCI settings.

02.
arXiv (quant-ph) 2026-06-19

On chip, multifunctional quantum sensing using single spins in a van der Waals crystal

arXiv:2606.19978v1 Announce Type: new Abstract: Nanoscale thermometry and magnetometry are in high demand across a wide range of scientific and technological applications. In this context, optically addressable spins in solids have emerged at the forefront of on-chip quantum sensing. However, simultaneous quantum sensing of multiple parameters (e.g., temperature and magnetic field) using the same spin sensor remains challenging due to cross-sensitivity to multiple physical quantities. Here, we demonstrate independent dual sensing of temperature and magnetic field using single quantum emitters in hexagonal boron nitride (hBN). We experimentally verify the independent response of the zero-phonon line (ZPL) position to temperature and of optically detected magnetic resonance (ODMR) to magnetic fields. Furthermore, we demonstrate local temperature sensing of a microcircuit while simultaneously measuring an external magnetic field. Our results establish quantum emitters in hBN as a robust platform for multifunctional quantum sensing under realistic operating conditions.

03.
arXiv (CS.LG) 2026-06-17

Questioning the Coverage-Length Metric in Conformal Prediction: When Shorter Intervals Are Not Better

arXiv:2601.21455v2 Announce Type: replace-cross Abstract: Conformal prediction(CP) has become a cornerstone of distribution-free uncertainty quantification, conventionally evaluated by its coverage and interval length. This work critically examines the sufficiency of these standard metrics. We demonstrate that the interval length might be deceptively improved through a counter-intuitive approach termed Prejudicial Trick(PT), while the coverage remains valid. Specifically, for any given test sample, PT probabilistically returns an interval, which is either null or constructed using an adjusted confidence level, thereby preserving marginal coverage. While PT potentially yields a deceptively lower interval length, it introduces practical vulnerabilities: the same input can yield completely different prediction intervals across repeated runs of the algorithm. We formally derive the conditions under which PT achieves these misleading improvements and provide extensive empirical evidence across various regression and classification tasks. Furthermore, we introduce a new metric interval stability which helps detect whether a new CP method implicitly improves the length based on such PT-like techniques. Code is available at https://github.com/benben-cd/PT-Conformal-Prediction.

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

Beyond Static Endpoints: Tool Programs as an Interface for Flexible Agentic Web Services

arXiv:2606.19992v1 Announce Type: cross Abstract: In the agentic web era, LLM-based agents increasingly invoke web services as tools, yet most interfaces remain static endpoints that poorly express long-horizon workflows with loops, conditionals, joins, and retries. We present ToolPro, which represents an agent's tool intent as an executable tool program that compactly encodes multi-step service interactions with explicit effect types. ToolPro combines constraint-guided program construction, effect-aware replay for exactly-once state-modifying calls, and a profile-driven policy that decides when program execution outperforms stepwise calling. We instantiate ToolPro over MCP-style services with WebAssembly sandboxing and evaluate it on diverse workflows of real-world applications. ToolPro reduces end-to-end latency by up to 53.4\% and client-side traffic by up to 96.1\%, with larger gains under higher network latency and workflow complexity.

05.
medRxiv (Medicine) 2026-06-15

A controlled human infection model for symptomatic pertussis in North America using the pertactin-producing clinical isolate D420

Background Despite widespread vaccination, pertussis remains a poorly controlled disease globally and results in substantial annual morbidity and mortality, particularly in young children. Controlled human infection models (CHIMs) using the causative agent Bordetella pertussis are promising systems to enable the study of pertussis disease pathogenesis and immunology and to rapidly assess vaccines and therapeutics. While a pertussis CHIM that produces asymptomatic infection has been established in Europe, the development of a CHIM that leads to symptomatic illness would be advantageous for evaluating vaccine efficacy against both infection and disease. Methods Healthy participants 18-40 years of age were inoculated intranasally with one of eight doses (ranging from 104 to 108 colony forming units (CFU)) of the pertactin-producing B. pertussis isolate D420 at the challenge facility within the Canadian Center for Vaccinology (Nova Scotia, Canada). The study occurred in two stages. In stage one, the B. pertussis dose was escalated in cohort groups of five to six participants until reaching an endpoint where 70-90% of participants exhibited mild (non-severe, Grade 1 or 2) symptomatic infection, defined as the Human Infectious Dose 70-90 (HID70-90). In stage two, additional challenges were conducted for doses below, at, and above the identified HID70-90 to characterize the emerging pertussis model. For all challenge doses, participants were closely monitored during an inpatient stay of up to 24 days and post-discharge for laboratory-confirmed infection, pertussis symptoms, safety, and IgG antibody responses to four B. pertussis antigens including pertussis toxin, filamentous hemagglutinin, fimbriae, and pertactin. All participants received a five-day course of azithromycin, where timing of initiation depended on B. pertussis testing and symptoms. The study was conducted between July 4, 2022 and March 19, 2025. Findings Seventy-five participants were inoculated with one of the eight B. pertussis D420 challenge doses and completed the inpatient stay. From the stage-one dose escalation, we found that 107 CFU of B. pertussis D420 was the lowest dose that achieved the HID70-90, where 9 of 12 participants (75.0%) exhibited mild symptomatic infection. Following stage-two challenges, 16 of 22 total participants at 107 CFU (72.7%) developed mild symptomatic infection, thus verifying the HID70-90. The symptomatic infection rate below the HID70-90 at 5x106 CFU of D420 was 20.0% and above the HID70-90 at 5x107 and 108 CFU were 58.3% and 55.6%, respectively. Symptoms with elevated frequency for symptomatic infection (relative to background symptoms in non-infected) included nasal congestion, runny nose, fatigue, malaise, and cough. At the HID70-90, 50% of symptomatic infections included cough. Serological analyses of the four highest (stage-two) challenge doses (5x106, 107, 5x107, 108 CFU) revealed that antibody titres increased over time post-challenge. Seroconversion for at least one of the four studied antibodies was nearly twice as common for symptomatic (70.0%) than asymptomatic (35.7%) infection and was absent (0%) for non-infected. All infections were cleared following azithromycin treatment (100%) and there were no study-related serious adverse events. Interpretation A safe and reproducible symptomatic pertussis CHIM was achieved, providing a model for research on pertussis disease pathogenesis and immunology and for assessing vaccines and therapeutics. (Clinicaltrials.gov, NCT05136599).

06.
arXiv (math.PR) 2026-06-15

On the Poisson Follower Model

arXiv:2309.04864v5 Announce Type: replace Abstract: We introduce a stochastic geometry dynamics inspired by opinion dynamics that captures the essence of modern asymmetric social networks with leaders and followers. Points in the Euclidean space represent opinions, and the leader of an agent is the one with the closest opinion. In this dynamics, each follower updates its opinion by halving the distance to its leader. We demonstrate that this simple dynamics and its iterations exhibit several interesting purely geometric phenomena related to the evolution of leadership and opinion clusters, which resemble those observed in social networks. We also show that when the initial opinions are randomly distributed as a stationary Poisson point process, the spatial frequency of each of these phenomena can be expressed through an integral geometry formula involving semi-algebraic domains. Finally, we analyze numerically the limiting behavior of this follower dynamics. In the Poisson case, the agents fall into two categories: ultimate followers, who continue updating their opinions indefinitely, and ultimate leaders, who adopt a fixed opinion after a finite time. Spatial discrete event simulations support all our findings.

07.
arXiv (CS.LG) 2026-06-18

Generalised Eigenvalue Geometry of Semantic Adversarial Attacks

arXiv:2606.19212v1 Announce Type: cross Abstract: Recent empirical work shows that semantically equivalent paraphrases can fool financial sentiment classifiers: although a paraphrase remains close to the original under a strong reference embedding, it may shift the target model's representation enough to change the predicted class. Existing robustness theory either assumes a single-model threat model or focuses mainly on empirical attack algorithms. We develop a continuous local model of semantic paraphrase perturbations that captures this two-model structure. We show that the worst-case local displacement of the target representation, subject to a proxy-model budget, is governed by the largest generalised eigenvalue of a matrix pencil $(A,B)$ constructed from the Jacobians of the two embedding maps. The resulting attackability index $\lambda^*(x)$ is intrinsic to the local paraphrase geometry and the chosen embedders, yields a closed-form prediction-flip condition for affine readouts, and supports conservative population and finite-sample attackability certificates. For uniform control over classes of affine readouts, we derive a distribution-free VC bound for binary attackability indicators and a scale-sensitive margin bound based on an attackability-adjusted margin that subtracts a local geometric penalty from the standard classifier margin. We also connect the continuous theory to discrete paraphrase search, identify an asymmetry between successful and unsuccessful finite searches, and give a covering condition under which the discrete and continuous settings agree. Finally, we propose an empirical verification framework using soft-token relaxations and generated paraphrase sets to assess the local eigenvalue geometry, prediction-flip condition, and finite-search approximation on a deployed financial-text classifier.

08.
arXiv (CS.AI) 2026-06-16

Nightjar: Dynamic Adaptive Speculative Decoding for Large Language Models Serving

arXiv:2512.22420v5 Announce Type: replace-cross Abstract: Speculative decoding (SD) accelerates LLM inference by verifying draft tokens in parallel. However, this method presents a critical trade-off: it improves throughput in low-load, memory-bound systems but degrades performance in high-load, compute-bound environments due to verification overhead. Existing speculative decoding methods use fixed lengths and cannot adapt to workload changes or decide when to stop speculation. The cost of restarting speculative inference also remains unquantified. Under high load, the benefit of speculation diminishes, while retaining the draft model reduces KV cache capacity, limiting batch size and degrading throughput. To overcome this, we propose Nightjar, a resource-aware adaptive speculative framework. It first adjusts to the request load by dynamically selecting the optimal speculative length for different batch sizes. Crucially, Nightjar proactively disables speculative decoding when the MAB planner determines that speculation is no longer beneficial, and during the disabled phase, offloads the draft model to the CPU only under GPU memory pressure. This reclaims memory for the KV cache, thereby facilitating larger batch sizes and maximizing overall system throughput. Experiments show that Nightjar achieves up to 14.76% higher throughput than standard speculative decoding and up to 20.18% lower latency in the main benchmark suite under dynamic request arrival rates for real-time LLM serving scenarios.

09.
arXiv (quant-ph) 2026-06-11

Circulators Based on Coupled Quantum Anomalous Hall Insulators and Resonators

arXiv:2505.07770v2 Announce Type: replace Abstract: Integrated plasmonics is advancing rapidly, enabling a wide range of functionalities to be incorporated onto a single chip. Applications span information processing, computation, quantum sensing, and dark-matter detection. This progress has driven the development of integrated non-reciprocal devices, which are essential for preventing unwanted feedback that can degrade system performance. While non-reciprocal devices have been realized in edge magnetoplasmon materials via classical interference effects, their operation is often limited by the input power range. Here, we demonstrate that topological circulators utilizing asymmetric coupling offer improved input power range, isolation, and insertion loss. In this configuration, we demonstrate the coupling between a chiral edge magnetoplasmonic resonator and a pair of LC resonators is well described by an effective non-Hermitian two-site Hatano-Nelson model with asymmetric directional couplings, resulting in nonreciprocal behavior. The coherent photon-plasmon interaction enables a circulator with up to 50 dB of isolation across a broad range of excitation power. These results suggest that magnetic topological insulators provide a promising platform for realizing asymmetric non-Hermitian couplings at radio frequencies and for exploring regimes of strong directional suppression and possible exceptional-point physics. More broadly, they highlight the potential of topological-material-based microwave devices for future integration with superconducting quantum information platforms.

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

MiroBench: Benchmarking Realism in Agentic Simulation of Real-world Discussions

arXiv:2606.14715v1 Announce Type: cross Abstract: LLM agents are increasingly used to simulate real world interactions, but it remains unclear whether simulated behaviors preserve the content patterns and interaction dynamics of real human behaviors. Existing evaluations remain fragmented, which makes it difficult to compare systems or measure progress. In this paper, we focus on Reddit discussions as a concrete first step toward evaluating real-world social simulation. Reddit threads provide public, topic-grounded, multi-party interactions where people share experiences, debate, seek advice, express emotion, and collectively respond to products, events, and social issues. These discussions offer an observable window into broader social behavior, making them a useful setting for testing whether LLM agents can reproduce not only fluent text, but also the distributional patterns and interaction dynamics of real online communities. We introduce MiroBench, a benchmark for Reddit discussion simulation built from 4,292 real Reddit threads. MiroBench uses statistical tests to compare generated and real discussions across four major aspects: repetition and semantic uniformity, narrative content, toxicity and aggression, and structural complexity. Experiments across five domains and five models show that current simulators remain distributionally mismatched with real Reddit threads, while a lightweight prompt-based improvement procedure provides only limited gains. MiroBench offers a concrete benchmark for measuring, diagnosing, and improving realism in LLM-based social simulation.

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

Learning Task-Aware Sampling with Shared Saliency through Density-Equalizing Mappings

In image and surface-based learning tasks, convolutional features are typically extracted using receptive fields that are sampled uniformly across the entire domain. However, informative structures are rarely distributed uniformly in practice and are often concentrated in localized regions. Such phenomena are particularly common in medical imaging, where pathological changes are spatially confined. Consequently, uniform convolution allocates equal computational effort to both informative and uninformative regions, resulting in inefficient feature extraction and suboptimal utilization of model capacity. To address this issue, we propose a framework for task-adaptive sampling that dynamically redistributes computational attention according to the spatial importance of the data. Specifically, we introduce the Density-Equalizing Convolutional Neural Network (DECNN), which employs density-equalizing mappings to guide convolution through a learned density function. The density function encodes the relative importance of different regions and induces a transformation that enlarges informative areas while compressing less relevant ones. As a result, convolutional receptive fields are redistributed non-uniformly over the domain, enabling denser sampling in task-relevant regions. By coupling this importance-driven transformation with convolution, DECNN performs adaptive feature extraction that focuses computational resources on informative structures. This leads to more efficient use of model capacity, yielding a lightweight yet expressive architecture while simultaneously producing an interpretable saliency map. Experiments on image classification and craniofacial surface analysis demonstrate that DECNN achieves competitive or superior performance with fewer parameters, accurately identifies task-relevant regions, and remains robust under complex geometric variations.

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

VIMPO: Value-Implicit Policy Optimization for LLMs

arXiv:2606.20008v1 Announce Type: new Abstract: Reinforcement learning with verifiable rewards has become a central tool for improving the reasoning ability of large language models, but current methods face a trade-off between simplicity and credit assignment. Group-relative methods such as GRPO avoid training a critic, but typically assign a trajectory-level advantage to every token. Actor-critic methods provide denser learning signals, but require a learned value function with its own training instability. We introduce VIMPO, a critic-free policy optimization method that derives a policy-implied value function from the optimality conditions of KL-regularized reinforcement learning. For autoregressive generation, the resulting value recurrence can be written in terms of policy-reference log-ratios and anchored by the terminal condition that no future reward remains at the end of a trajectory. This gives a simple value loss that incorporates outcome-level verifiable rewards without training a critic. The same derivation also yields a critic-free actor advantage, allowing VIMPO to separate reward incorporation through the value loss from policy improvement through a PPO-style actor update. On mathematical RLVR benchmarks, VIMPO improves over GRPO across MATH-500, AIME 2024, AIME 2025, and OlympiadBench, with especially larger gains on competition-style evaluations. Under noisy rewards, VIMPO retains a consistent advantage over GRPO, suggesting that policy-implied value optimization can provide finer credit assignment while preserving the practical simplicity of critic-free training.

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

Learner-based Concept Drift Detection: Analysis and Evaluation

arXiv:2606.20216v1 Announce Type: cross Abstract: Machine learning algorithms deployed for evolving streaming environments must handle the non-stationary data distributions, commonly referred to as concept drift. The presence of concept drift poses a major challenge for many real-world applications because it can severely degrade their predictive performance, hindering their ability to support robust decision-making. Consequently, the timely and efficient detection of drift events is critical for sustaining high accuracy over time. This study examines theoretically the concept drift characteristics and numerous drift detection algorithms across several categories. Furthermore, we evaluate their performance on both synthetic and real-world datasets exhibiting diverse streaming scenarios and drift characteristics, such as abrupt and gradual changes. This study aims to enhance understanding of the complex notion of concept drift characteristics and behavior of drift detectors, along with their applicability to diverse contexts.

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

When Poison Fails After Retrieval: Revisiting Corpus Poisoning under Chunking and Reranking Pipelines

arXiv:2606.11265v1 Announce Type: cross Abstract: Retrieval-Augmented Generation (RAG) systems are vulnerable to corpus poisoning attacks that manipulate downstream model outputs through malicious knowledge injection. Existing studies mainly evaluate poisoning under simplified retrieval settings, overlooking practical RAG pipelines involving document chunking, dense retrieval, reranking, and grounded generation. In this paper, we revisit corpus poisoning under realistic multi-stage retrieval pipelines and show that many existing attacks substantially degrade after reranking despite achieving high retrieval-stage relevance. We identify retrieval granularity mismatch as a key reason for this failure: document-level adversarial signals are often fragmented during chunking, while rerankers favor locally coherent and answer-bearing passages rather than globally optimized semantic similarity. Based on this observation, we propose Chunk-aware and Rerank-Consistent Poisoning (CRCP), a poisoning framework that jointly optimizes retrieval relevance, reranker consistency, and chunk-boundary robustness. CRCP explicitly models chunking transformations during optimization to generate locally self-contained adversarial passages that remain effective under varying chunking configurations. Experiments on standard RAG benchmarks with multiple retrievers and rerankers show that existing poisoning methods are highly sensitive to chunk size and reranking strategies, whereas CRCP achieves substantially higher attack success rates and stronger robustness across realistic retrieval pipelines. Our findings highlight an important realism gap in current RAG security evaluation and suggest that poisoning in modern RAG systems should be studied as a multi-stage retrieval consistency problem rather than a retrieval-only problem.

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

Evaluating Interactive 2D Visualization as a Sample Selection Strategy for Biomedical Time-Series Data Annotation

arXiv:2603.26592v2 Announce Type: replace-cross Abstract: Reliable machine-learning models in biomedical settings depend on accurate labels, yet annotating biomedical time-series data remains challenging. Algorithmic sample selection may support annotation, but evidence from studies involving real human annotators is scarce. Consequently, we compare three sample selection methods for annotation: random sampling (RND), farthest-first traversal (FAFT), and a graphical user interface-based method enabling exploration of complementary 2D visualizations (2DVs) of high-dimensional data. We evaluated the methods across four classification tasks in infant motility assessment (IMA) and speech emotion recognition (SER). Twelve annotators, categorized as experts or non-experts, performed data annotation under a limited annotation budget, and post-annotation experiments were conducted to evaluate the sampling methods. Across all classification tasks, 2DV performed best when aggregating labels across annotators. In IMA, 2DV most effectively captured rare classes, but also exhibited greater annotator-to-annotator label distribution variability resulting from the limited annotation budget, decreasing classification performance when models were trained on individual annotators' labels; in these cases, FAFT excelled. For SER, 2DV outperformed the other methods among expert annotators and matched their performance for non-experts in the individual-annotator setting. A failure risk analysis revealed that RND was the safest choice when annotator count or annotator expertise was uncertain, whereas 2DV had the highest risk due to its greater label distribution variability. Furthermore, post-experiment interviews indicated that 2DV made the annotation task more interesting and enjoyable. Overall, 2DV-based sampling appears promising for biomedical time-series data annotation, particularly when the annotation budget is not highly constrained.

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

LongSpike: Fractional Order Spiking State Space Models for Efficient Long Sequence Learning

arXiv:2606.12895v1 Announce Type: new Abstract: Spiking Neural Networks (SNNs) are well-regarded for their biological plausibility and energy efficiency in processing sequential data. However, dominant SNN architectures typically rely on first-order Ordinary Differential Equations (ODEs) to govern neuronal state transitions. This first-order assumption imposes a "memoryless" bottleneck, limiting the model's capacity to capture the complex, long-range dependencies inherent in long-sequence tasks. In this work, we propose LongSpike, a novel SNN framework that integrates fractional-order State-Space Modeling, or f-SSM, from control theory into the spiking domain. By extending traditional integer-order SSMs to the fractional-calculus regime, LongSpike enables the hierarchical integration of neuronal dynamics with long-memory kernels. To mitigate the computational overhead and parallelization challenges typically associated with fractional operators, we leverage a state-space formulation that supports efficient, parallel training. Empirical evaluations on challenging benchmarks, including Long Range Arena (LRA), large-scale WikiText-103, and Speech Commands, demonstrate that LongSpike outperforms state-of-the-art SNNs in accuracy while preserving sparse synaptic computation. The code is available at https://github.com/xinruihe389-commits/LongSpike.

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

Persona-Pruner: Sculpting Lightweight Models for Role-Playing

Language Models (LMs) have shown remarkable potential as role-playing chatbots, delivering consistent, stylized interactions when given a specification of a character or user persona. However, applying these capabilities to real-world applications (e.g., ecosystems with numerous NPCs interacting simultaneously) exposes a critical inefficiency due to the excessive computational cost. In this paper, we question the necessity of dedicating a full, generalist model to a single persona, hypothesizing that a specific character identity relies on only a fraction of the model's total capacity. We observe that naively pruning LMs often severely degrades the role-playing performance for a specific persona; it does not distinguish between redundant knowledge and essential character traits. We propose Persona-Pruner, a framework that sculpts a lightweight role-playing model by isolating persona-specific sub-networks from a single description. Our experiments consistently show that Persona-Pruner preserves role-playing performance substantially more effectively than existing state-of-the-art LLM pruning techniques, reducing the performance drop from the dense model by up to 93.8% over the strongest baseline on RoleBench in LLM-as-a-judge score, while still maintaining general LLM capabilities. Code is available at https://github.com/jsu-kim/Persona-Pruner.

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

ParkingTransformer: LLM-Enhanced End-to-End Trajectory Planning for Autonomous Parking

arXiv:2606.17082v1 Announce Type: cross Abstract: End-to-end autonomous parking has emerged as a critical task within the realm of autonomous driving. However, existing methods suffer from black-box characteristics, lacking high-level semantic understanding and interpretability, which impedes the realization of seamless long-distance autonomous parking from the road to the target spot. To address these limitations, we propose ParkingTransformer, a novel framework that leverages multi-view perception and the scene understanding capability of Large Language Models (LLMs). By combining trajectory queries with LLMs implicit state features, our method interacts directly with historical information and raw sensor data to output planning trajectories, eliminating the need for dense Bird's-View (BEV) representations. To compensate for the inadequate spatial reasoning ability of LLMs, we introduce 3D positional encoding to explicitly inject spatial geometric awareness. Furthermore, a fixed-window streaming mechanism is designed for historical information processing, significantly improving long-term temporal processing efficiency and inference speed. Additionally, a coarse-to-fine decoding strategy is employed to progressively enhance trajectory precision. Extensive closed-loop experiments are conducted on the CARLA simulator and real-world vehicle platforms. The results demonstrate that our method achieves a driving score of 61.32 in CARLA simulator and an average success rate of 88.70% in real-world experiments, validating the feasibility and effectiveness of the proposed algorithms.

20.
arXiv (CS.AI) 2026-06-12

Counterfactual Explanations for Deep Two-Sample Testing

arXiv:2606.04009v2 Announce Type: replace-cross Abstract: Two-sample testing is a fundamental tool for detecting distributional differences across scientific domains, but classical tests (including kernel-based tests) can be ineffective on high-dimensional structured data such as images. Recent deep two-sample tests improve sensitivity in these settings by learning informative representations, yet they provide limited insight into which data features drive rejection of the null hypothesis $H_0$. To address this issue, we propose a counterfactual explanation framework for deep two-sample testing that generates sample-level edits moving observations from a source group toward a target group while explicitly reducing the discrepancy measured by the test. Our method combines a diffusion autoencoder with a pretrained deep two-sample test model and optimizes a maximum mean discrepancy (MMD) objective in the test model's representation space to produce plausible counterfactuals. We quantify distribution-level effects through changes in the test statistic and the resulting two-sample p-values. We evaluate the method on synthetic 2D shape datasets and two MRI cohorts. Across both settings, the counterfactual transformations consistently increase p-values relative to the original samples, indicating that the edited source set becomes statistically closer to the target distribution under the test. We measure minimality using LPIPS to ensure the counterfactuals remain close to the original samples. The resulting edits provide interpretable evidence of the features associated with the detected group differences. On MRI, the localized changes are consistent with known anatomical differences between cohorts.

21.
arXiv (CS.AI) 2026-06-18

Something from Nothing: Data Augmentation for Robust Severity Level Estimation of Dysarthric Speech

arXiv:2603.15988v3 Announce Type: replace-cross Abstract: Dysarthric speech quality assessment (DSQA) is critical for clinical diagnostics and inclusive speech technologies. However, subjective evaluation is costly and difficult to scale, and the scarcity of labeled data limits robust objective modeling. To address this, we propose a three-stage framework that leverages unlabeled dysarthric speech and large-scale typical speech datasets to scale training. A teacher model first generates pseudo-labels for unlabeled samples, followed by weakly supervised pretraining using a label-aware contrastive learning strategy that exposes the model to diverse speakers and acoustic conditions. The pretrained model is then fine-tuned for the downstream DSQA task. Experiments on five unseen datasets spanning multiple etiologies and languages demonstrate the robustness of our approach. Our Whisper-based baseline significantly outperforms SOTA DSQA predictors such as SpICE, and the full framework achieves an average SRCC of 0.761 across unseen test datasets.

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

Smoothing Dark Areas in Molecular Latent Diffusion

arXiv:2606.13955v1 Announce Type: new Abstract: Latent diffusion is a promising framework for scalable 3D molecular generation, but it requires a latent space that remains smooth, valid, and navigable beyond posterior samples. Existing molecular VAEs, however, are typically learned through reconstruction-based objectives, which do not guarantee such a latent space. We show that this leads to dark areas: regions of latent space that are reachable during diffusion sampling but decode to disconnected or chemically invalid molecules. Unlike in image generation, molecular decoding requires strict structural and chemical precision, so even small latent perturbations can produce catastrophic failures. We therefore propose TopVAE, a topology-optimized VAE that reduces dark areas by making the decoder internalize structural and chemical constraints during training, eliminating the need for test-time chemical correction. TopVAE greatly improves off-posterior robustness, and when paired with a standard DiT, achieves $77\%$ lower FCD-3D on QM9, the highest V&C, $52\%$ lower FCD-3D on GEOM-Drugs, and $1.29{\times}$ more stable and connected molecules on zero-shot scaffold inpainting.

23.
arXiv (CS.LG) 2026-06-12

Single vs. Multiple Branches in DeepONet and S-DeepONet: Network Architecture Follows Coupling in Multiphysics Systems

arXiv:2507.03660v2 Announce Type: replace Abstract: `Real-time prediction of complex physical systems requires surrogate models that learn from data while representing strong multiphysics coupling. Deep Operator Networks have shown success in single-physics problems, yet their effectiveness in capturing nonlinear interactions in coupled systems (such as thermo-mechanical or electro-thermal coupling) remains underexplored. Here we pose a practical question: should the architecture of a neural operator reflect the strength of physical coupling it aims to model? We compare single-branch and multi-branch designs, in both feedforward and sequential recurrent forms, across three representative systems: a reaction–diffusion problem with heterogeneous sources, a nonlinear thermo-electrical problem with temperature-dependent conductivity and Joule heating, and a viscoplastic thermo-mechanical model of steel solidification. Single-branch networks consistently outperform multi-branch variants in tightly coupled regimes by encouraging shared latent representations, whereas multi-branch designs remain favorable for decoupled or single-physics tasks. Once trained, these surrogates deliver full-field predictions up to $1.8 \times 10^4$ times faster than physics-based solvers.

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

Analytic Bijections for Smooth and Interpretable Normalizing Flows

arXiv:2601.10774v2 Announce Type: replace Abstract: A key challenge in normalizing flows is finding expressive invertible scalar bijections. Existing approaches face trade-offs: affine transformations are smooth and analytically invertible but lack expressivity; monotonic splines offer local control but are only piecewise smooth and act on bounded domains; residual flows achieve smoothness but need numerical inversion. We introduce three families of analytic bijections that are globally smooth ($C^\infty$), defined on all of $\mathbb{R}$, and analytically invertible in closed form, combining the favorable properties of prior approaches. Beyond serving as drop-in replacements in coupling flows, where they match or exceed spline performance, we develop radial flows: a novel architecture using direct parametrization that transforms the radial coordinate while preserving angular direction. Radial flows exhibit exceptional training stability, produce geometrically interpretable transformations, and on targets with radial structure can achieve comparable quality to coupling flows with $1000\times$ fewer parameters. We provide comprehensive evaluation on 1D and 2D benchmarks, and demonstrate applicability to higher-dimensional physics problems through experiments on $\phi^4$ lattice field theory, where our bijections outperform affine baselines and enable problem-specific designs that address mode collapse.

25.
arXiv (CS.AI) 2026-06-12

APCyc: Property-Informed Design of Cyclic Peptides via Automated Cyclization

arXiv:2606.12991v1 Announce Type: new Abstract: Cyclic peptides represent a promising class of therapeutic compounds in modern drug discovery, often offering improved stability and binding affinity. However, the de novo design of cyclic peptides remains challenging because methods must identify pocket-adaptive cyclization patterns and linkage sites while simultaneously controlling drug-relevant properties. This challenge is particularly pronounced for recent generative models trained predominantly on linear peptide data, which may fail to capture cyclization-specific constraints. To address the limitation, we introduce APCyc, a target-aware de novo cyclic peptide generation framework that explicitly models cyclization and jointly optimizes multiple essential physicochemical properties. By using an expanded residue vocabulary and explicitly encoding cyclization-site and linkage-type information, APCyc learns cyclization-aware representations and leverages Bayesian posterior guidance to steer sampling toward cyclic peptides satisfying multiple property objectives. Experimental results demonstrate that our model learns target-dependent cyclization preferences, and enables effective and controllable multi-property optimization for cyclic peptide design. The source code of this paper is available at https://github.com/HKUSTGZ-ML4Health-Lab/APCyc.