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01.
arXiv (CS.CL) 2026-06-11

Cross-Layer Discrete Concept Discovery for Interpreting Language Models

Interpreting language models remains challenging due to the existence of residual stream, which linearly mixes and duplicates features across adjacent layers, causing single-layer analyses to miss this cross-layer structure. Cross-layer sparse autoencoders (SAEs) address layer mixing but operate in continuous space, where concepts split across many neurons without clear boundaries. We introduce Cross-Layer Vector Quantized-Variational Autoencoder (CLVQ-VAE), a novel framework which maps representations from a lower layer to a higher layer through a discrete vector-quantization bottleneck, collapsing duplicated residual-stream features into compact, interpretable concept vectors. Our approach combines top-k temperature-based sampling with exponential moving average (EMA) codebook updates, providing controlled exploration of the discrete latent space while maintaining codebook diversity. Across both encoder- and decoder-based models on ERASER-Movie, Jigsaw, and AGNews, CLVQ-VAE outperforms clustering, single-layer vector quantized-variational autoencoder (VQ-VAE), and sparse autoencoder (SAE) baselines across three evaluation axes: removing identified concepts drops model accuracy by up to 93%, LLM judges rank our concepts first in 66.7% of comparisons, and human annotators recover model predictions from our visualizations with 78% accuracy versus 54% for clustering.

02.
arXiv (quant-ph) 2026-06-15

Efficient Simulation of Szegedy Quantum Walk Formulations and Algorithms

arXiv:2606.14226v1 Announce Type: new Abstract: Quantum walks provide a versatile framework for quantum algorithms across a wide range of applications. We develop efficient classical simulation methods for Szegedy quantum walks that avoid explicit construction of the full unitary evolution operator. Unlike previous approaches restricted to a particular walk formulation, our framework is built from fundamental update and reflection operators, enabling the simulation of a broader class of Szegedy walk formulations. We further extend these methods to phase-estimation-based algorithms coupled to the walk, including implementations suitable for large sparse graphs. The resulting methods achieve optimal $O(N^2)$ complexity for dense graphs with $N$ nodes. For sparse graphs, the computational cost scales linearly with the number of edges, which is $O(N)$ in many cases. We implement the framework in the Python package SQWLib and illustrate its capabilities through simulations of representative algorithms, including quantum simulated annealing and quantum search on graphs. These results provide a practical tool for studying Szegedy-walk-based algorithms numerically beyond purely analytical treatments.

03.
arXiv (quant-ph) 2026-06-19

Locally Gentle State Certification for High Dimensional Quantum Systems

arXiv:2602.04550v3 Announce Type: replace Abstract: Standard approaches to quantum statistical inference rely on measurements that induce a collapse of the wave function, effectively consuming the quantum state to extract information. In this work, we investigate the fundamental limits of locally-gentle quantum state certification, where the learning algorithm is constrained to perturb the state by at most $\alpha$ in trace norm, thereby allowing for the reuse of samples. We analyze the hypothesis testing problem of distinguishing whether an unknown state $\rho$ is equal to a reference $\rho_0$ or $\epsilon$-far from it. We derive the minimax sample complexity for this problem, quantifying the information-theoretic price of non-destructive measurements. Specifically, by constructing explicit measurement operators, we show that the constraint of $\alpha$-gentleness imposes a sample size penalty of $\frac{d}{\alpha^2}$, yielding a total sample complexity of $n = \Theta(\frac{d^3}{\epsilon^2 \alpha^2})$. Our results clarify the trade-off between information extraction and state disturbance, and highlight deep connections between physical measurement constraints and privacy mechanisms in quantum learning. Crucially, we find that the sample size penalty incurred by enforcing $\alpha$-gentleness scales linearly with the Hilbert-space dimension $d$ rather than the number of parameters $d^2-1$ typical for high-dimensional private estimation.

04.
medRxiv (Medicine) 2026-06-10

Assessment of the accuracy of lung lesions diagnosis in adolescents with osteosarcoma using artificial intelligence

Background. Lung metastases in osteosarcoma (OS) are the main cause of the death. The accuracy of the diagnosis of nodules by computed tomography (CT) of the lungs is critically important for determining the disseminated stage of the disease and planning surgical treatment. The use of artificial intelligence (AI) in the search for lung nodules increases the accuracy of diagnosis and reduces the chance of missing metastases. Objective: to evaluate the accuracy of lung nodules diagnosis in adolescents with OS using AI. Methods. A retrospective assessment of CT scans of adolescents with OS was performed. A pathological nodule with an average size of [≥]4 mm was considered a target finding. The diagnostic accuracy of an AI algorithm previously trained on an adult dataset was evaluated, and the number of false positives (FP) and false negatives (FN) was determined. Sensitivity, specificity, accuracy, area under the ROC curve (AUC), positive predictive value, negative predictive value, and F1-measure were calculated. Based on the obtained results, the effectiveness of the algorithm was assessed. Results. 248 CT scans of adolescents with OS were evaluated. The following results were obtained: in 5 cases, the AI algorithm showed a FP result (2.02%), in 34 cases, it showed a FN result (13.71%), and in 209 cases, a correct result (both true positive and true negative) (84.27%). The diagnostic accuracy of the algorithm was 0.843 (95% CI 0.794-0.887). The application of the AI algorithm in the practice of an X-ray doctor in a specific clinical task would allow to increase the sensitivity from 0.805 to 0.891, while ensuring an absolute decrease in the number of FN results by 8.59% and a relative decrease by 44%. Conclusion. The obtained results confirm the practical value of the application of the AI algorithm and justify the implementation of AI-assisted systems in the diagnostic protocols for lung metastases in adolescents with OS.

05.
arXiv (CS.AI) 2026-06-17

Shattering the Autoregressive Curse: Dynamic Epistemic Entropy Orchestrated Erasable Reinforcement Learning for LLMs

arXiv:2606.17735v1 Announce Type: new Abstract: Although reinforcement learning (RL) has expanded the cognitive boundaries of large language models (LLMs), it often remains vulnerable to the autoregressive curse in long-horizon logical reasoning: small epistemic perturbations introduced early in generation can propagate irreversibly along the Markov decision process flow, triggering cascading failures that drive the reasoning trajectory toward collapse. To overcome this autoregressive cascade, in which a single early mistake can compromise all subsequent reasoning steps, we propose dynamic epistemic entropy orchestrated erasable reinforcement learning ($E^3RL$). $E^3RL$ eliminates reliance on external signals by grounding the model's endogenous local autoregressive cross-entropy as an intrinsic coordinate of epistemic uncertainty. By introducing segment-level adaptive dynamic thresholds and advantage allocation, $E^3RL$ enables the model to precisely excise localized logical defects while reusing historical key-value (KV) cache streams, thereby endowing the reasoning process with a self-healing capability. We train $E^3RL$ on the DeepMath-103k dataset. Experimental results show that $E^3RL$ reshapes the exploration efficiency of long-sequence reasoning and improves sample efficiency while maintaining linear memory overhead. On mathematical reasoning benchmarks such as AIME, $E^3RL$ achieves substantial performance gains, with the 4B and 8B parameter models surpassing previous state-of-the-art (SOTA) results by 5.349\% and 6.514\%, respectively. These findings suggest that $E^3RL$ shatters the autoregressive curse in long-sequence reasoning and establishes a theoretical and systems-level foundation for the next generation of self-healing artificial general intelligence (AGI).

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

Ultra Flash: Scaling Real-Time Streaming Video Generation to High Resolutions

While recent autoregressive video diffusion models achieve remarkable streaming quality, they remain confined to low resolutions (e.g., 480P), leaving efficient, scalable, real-time high-resolution video generation a fundamental open challenge. To bridge this gap, we present Ultra Flash, a cascaded streaming framework capable of real-time high-resolution video generation. Ultra Flash achieves ~30 FPS at 1K resolution and ~18 FPS at 2K resolution on a single GPU through three key contributions: (1) an architecture-preserving T2V-to-TV2V super-resolution training paradigm coupled with an AIGC-oriented data degradation pipeline that effectively preserves the generative capability of the base model, enabling enhanced high-resolution detail when cascaded after mainstream low-resolution generative models; (2) a causal streaming latent upsampler paired with a high-resolution decoder, which enhances spatiotemporal coherence while enabling efficient latent spatial scaling and precise high-resolution decoding with negligible computational overhead; and (3) a cascade high-resolution streaming video generation optimization scheme that first performs hybrid-reward-enhanced sparse causalization and single-step distillation of the super-resolution model, then introduces cascaded streaming self-forcing preference optimization with dynamic cache management, jointly enhancing overall coherence, improving quality, and enabling real-time high-resolution streaming video generation. Extensive experiments demonstrate that Ultra Flash reliably produces ultra-high-resolution streaming video while maintaining state-of-the-art visual quality and superior efficiency. Project Page: https://xin1u.github.io/UltraFlash/

07.
arXiv (CS.AI) 2026-06-19

Stabilizing the Q-Gradient Field for Policy Smoothness in Actor-Critic Methods

arXiv:2601.22970v2 Announce Type: replace-cross Abstract: Policies learned via continuous actor-critic methods often exhibit erratic, high-frequency oscillations, making them unsuitable for physical deployment. Current approaches attempt to enforce smoothness by directly regularizing the policy's output. We argue that this approach treats the symptom rather than the cause. In this work, we theoretically establish that policy non-smoothness is fundamentally governed by the differential geometry of the critic. By applying implicit differentiation to the actor-critic objective, we prove that the sensitivity of the optimal policy is bounded by the ratio of the Q-function's mixed-partial derivative (noise sensitivity) to its action-space curvature (signal distinctness). To empirically validate this theoretical insight, we introduce PAVE (Policy-Aware Value-field Equalization), a critic-centric regularization framework that treats the critic as a scalar field and stabilizes its induced action-gradient field. PAVE rectifies the learning signal by minimizing the Q-gradient volatility while preserving local curvature. Experimental results demonstrate that PAVE achieves smoothness comparable to policy-side smoothness regularization methods, while maintaining competitive task performance, without modifying the actor.

08.
arXiv (quant-ph) 2026-06-12

Scalar Quantum Fields: Theory Space and its Geometry

arXiv:2606.12580v1 Announce Type: cross Abstract: Scalar fields provide perhaps the simplest playground in which to develop our understanding of quantum field theory. In this lecture, we consider what it means to write down a scalar quantum field theory and how we can give geometrical interpretations to the space of such theories: the theory space.

09.
medRxiv (Medicine) 2026-06-11

A Global Health Quality Improvement Project: Enhancing Cervical Cancer Awareness and screening in Nigeria

Background Cervical cancer remains a significant global public health challenge, ranking as the fourth most common cancer among women worldwide. According to The World Health Organization (WHO) 604,000 women were diagnosed with cervical cancer globally in 2020, with over 342,000 deaths amongst this group [1]. Despite its high mortality, cervical cancer is largely preventable through early detection and vaccination against human papillomavirus (HPV), which causes nearly all cases of cervical cancer [1,2] In Nigeria, it is the second most common cancer among women in Nigeria and a leading cause of cancer-related deaths, with low screening rates exacerbating late diagnoses and poor outcomes [1]. Despite global commitments to elimination with Pap smear screening and HPV vaccination, less than 10% of women in Nigeria have undergone screening due to misconceptions, stigma, and limited awareness. Educational interventions may improve awareness and promote screening behaviors. This global health quality improvement (QI) project aimed to enhance cervical cancer awareness and increase Pap smear uptake at the Central Bank of Nigeria (CBN) Clinic in Abuja, Nigeria. Methods In November 2024, we conducted a health education intervention at the Central Bank of Nigeria (CBN) through a structured educational session for male and female CBN staff members. The session focused on cervical cancer prevention, risk factors, and screening guidelines. Additionally, cervical cancer awareness was raised via email, social media, and electronic bulletin board. Participants completed pre and post-interventions surveys assessing cervical cancer knowledge across 10 key items and demographic characteristics. Pap smear uptake was assessed using the CBN clinic records for three months before and after the intervention. Institutional approval was obtained from CBN and external institutional review board approval was not required. Results 188 participants attended the health education session with 124 survey responses (70 pre-event, 54 post-event). Participants were mostly women aged 30-39. Post-intervention, eight of ten survey questions showed improved knowledge, with five demonstrating statistically significant gains: understanding Pap smear frequency (p

10.
arXiv (CS.CL) 2026-06-19

Closing the Calibration Gap in Semantic Caching

Semantic caching cuts LLM inference costs by serving a cached response to semantically similar queries. Standard practice evaluates these systems using PR-AUC, a metric that only measures how well scores rank and ignores whether they are usable at a fixed threshold. We show this mismatch leads to systematically poor deployment choices, as models with the highest PR-AUC are often the worst in operation. We introduce Precision-Cache Hit Ratio (P-CHR) AUC, a cache-aware metric that measures precision across cache utilization levels, and Calibration Retention Rate (CRR), which captures how much offline ranking quality survives at deployment. We decompose the operational gap between offline and deployed quality into a recoverable calibration component and an irreducible structural component fixed by the dataset's positive rate. Our experiments show that the calibration gap is governed by the training objective rather than data scale, and post-hoc calibration only partially closes it. Ultimately, model selection for semantic caching is a calibration problem, not a ranking one, and measuring it is the first step to closing the gap.

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

When Rules Learn: A Self-Evolving Agent for Legal Case Retrieval

arXiv:2606.17220v1 Announce Type: new Abstract: Legal case retrieval remains challenging due to the complexity of legal language and the need for precise lexical alignment between queries and relevant cases. Although dense retrieval models have achieved notable progress, empirical studies show that BM25 continues to serve as a strong baseline in this domain. It motivates us to propose a self-evolving framework for rule-driven query rewriting that enhances BM25 without any parameter training. The framework equips an LLM-based agent with an automatic evaluation environment, enabling it to iteratively create rewriting rules, plan validation experiments over rule combinations, and eliminate ineffective rules based on historical feedbacks. We evaluate our method on the Chinese legal case retrieval benchmark LeCaRD-v2. Experimental results demonstrate that the proposed framework outperforms non-evolutionary baselines, including human-designed rules and greedy rule selection, particularly when powered by a highcapacity core LLM. We also conduct detailed analyses to investigate the mechanisms underlying self-evolution. Our findings reveal that LLM's capabilities to leverage previous experimental results and its intrinsic knowledge of rule elimination play critical roles in refining the rule set via self-evolution.

12.
arXiv (quant-ph) 2026-06-16

Quantum simulation of the Liouville equation in classical mechanics with discontinuous potential via Schrödingerization

arXiv:2606.15066v1 Announce Type: new Abstract: We develop quantum simulation algorithms for the Liouville equation of classical mechanics with discontinuous potential. Such discontinuities represent potential barriers at which classical particles undergo energy preserving transmission or reflection, and the resulting interface conditions must be incorporated into the numerical flux. We combine Hamiltonian-preserving schemes by Jin and Wen in Commun. Math. Sci. 3(3), 285-315 (2005) with the Schrödingerization method, which embeds the resulting nonunitary semi-discrete dynamics into a unitary Schrödinger type system in one additional auxiliary variable [arXiv:2212.14703, arXiv:2212.13969]. For one-, two-, and $n$-dimensional problems with grid aligned interfaces, we construct sparse matrix representations of the transmission and reflection fluxes using step and hat functions, derive the corresponding Hamiltonians of the Schrödingerized systems, and analyze their sparse-access query complexity. In the sparse-access oracle model, the resulting algorithms have a polynomial dependence on the inverse accuracy and avoid the exponential dependence on the phase-space dimension suffered by classical grid based Hamiltonian-preserving schemes, up to the cost of implementing the oracles and the postselection overhead. We also describe the postselected recovery of the physical solution state and the quantum readout of macroscopic observables such as density and averaged velocity through overlap estimation. Numerical experiments based on classical simulation of the Schrödingerized dynamics validate the proposed formulation and illustrate the correct transmission/reflection behavior at potential barriers.

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

DYNA : Dynamic Episodic Memory Networks for Augmenting Large Language Models with Temporal Knowledge Graphs in Continuous Learning

Large Language Models (LLMs) struggle to incorporate new knowledge without forgetting or costly retraining. We propose DYNA, a lightweight framework that augments a frozen LLM with a temporal knowledge graph where events are nodes and temporal relations are directed, timestamped edges. The graph serves as an external, updatable memory. At query time, DYNA retrieves relevant nodes via random walks and centrality measures, then augments the LLM's response. Evaluated on three temporal recall tasks, DYNA reduces catastrophic forgetting by ~7% compared to fine-tuning and improves temporal ordering by ~5% over standard RAG. Higher graph clustering coefficients correlate with better retrieval, showing that graph structure matters. Contributions: (1) episodic memory as temporal KG, (2) retraining-free LLM augmentation, (3) graph properties as predictors of retrieval performance.

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

Mirror Descent Beyond Euclidean Stability: An Exponential Separation in Initialization Sensitivity

arXiv:2606.11431v1 Announce Type: new Abstract: Mirror Descent (MD) extends Gradient Descent (GD) beyond Euclidean geometry and has recently reappeared as a lens for KL-regularized policy optimization in reinforcement learning and LLM post-training. This raises a basic robustness question, crucial to reproducibility and reliability: how sensitive are MD dynamics to their inputs? We focus on initialization, often itself a pretrained or previously aligned model. Quadratic-regularized MD, including GD and Mahalanobis geometries, is well-known to be stable for convex smooth objectives. We show a sharp contrast: once the regularizer is non-quadratic, MD can be exponentially more sensitive to initialization than GD, even with a well-conditioned regularizer in Euclidean norm. We give a three-dimensional construction with a convex, smooth objective and a strongly convex, smooth, well-conditioned regularizer where an initial $\varepsilon$ perturbation is quickly amplified to $\min\{polylog^{-1}(1/\varepsilon), \varepsilon e^{\Omega(\eta T)}\}$ after $T$ iterations of MD with step size $\eta$. For canonical KL-regularized MD on the simplex, we show that even linear objectives can amplify an initial $\varepsilon$ perturbation exponentially fast in high-dimensional or near-boundary regimes. Finally, we show that adding a Bregman regularization term toward an anchor point can stabilize the dynamics while largely preserving the optimization guarantees, and that the choice of anchor is crucial: anchoring at the initialization only partially mitigates the instability, whereas anchoring at a fixed point yields a more stable mechanism.

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

DVD: Discrete Voxel Diffusion for 3D Generation and Editing

We introduce Discrete Voxel Diffusion (DVD), a discrete diffusion framework to generate, assess, and edit sparse voxels for SLat (Structured LATent) based 3D generative pipelines. Although discrete diffusion has not generally displaced continuous diffusion in image-like generation, we show that it can be an effective first-stage prior for sparse voxel scaffolds. By treating voxel occupancy as a native discrete variable, DVD avoids continuous-to-discrete thresholding and provides a simple framework for voxel generation, uncertainty estimation, and editing. Beyond quality gains, DVD provides more interpretable generation dynamics through explicit categorical modeling. Furthermore, we leverage the predictive entropy as a robust uncertainty metric to identify ambiguous voxel regions and complicated samples, facilitating tasks such as data filtering and quality assessment. Finally, we propose a lightweight fine-tuning strategy using block-structured perturbation patterns. This approach empowers the model to inpaint and edit voxels within a single sampling round, requiring negligible auxiliary computation and no additional model evaluations. Code is available at https://github.com/TeCai/DVD.

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

Point Cloud Upsampling through Patch-based Frequency Superposition

In recent years, neural networks have become the dominant models in most point cloud upsampling methods. Although these approaches are achieving good results, they do have drawbacks, such as a lack of interpretability and data dependency. Moreover, they have to be trained on a dataset that is similar to the test data in order to perform well. To avoid these disadvantages, we propose Point Cloud Upsampling through Patch-based Frequency Superposition (PUtPFS), an optimization-based approach that selects subsets of points and estimates the surface of this set through superpositioning spatial frequencies. Then, new points are placed on this surface. By successively selecting points in the least dense regions of the point cloud, a uniform upsampling can be reached. With this method, we surpass the current best upsampling results in the commonly considered point-to-surface distance. Furthermore, we achieve the best Chamfer and Hausdorff distance among the optimization-based approaches. As an additional advantage, our method does not need any training data and is mathematically interpretable.

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

Learning to Decide with AI Assistance under Human-Alignment

arXiv:2605.12646v2 Announce Type: replace-cross Abstract: It is widely agreed that when AI models assist decision-makers in high-stakes domains by predicting an outcome of interest, they should communicate the confidence of their predictions. However, empirical evidence suggests that decision-makers often struggle to determine when to trust a prediction based solely on this communicated confidence. In this context, recent theoretical and empirical work suggests a positive correlation between the utility of AI-assisted decision-making and the degree of alignment between the AI confidence and the decision-makers' confidence in their own predictions. Crucially, these findings do not yet elucidate the extent to which this alignment influences the complexity of learning to make optimal decisions through repeated interactions. In this paper, we address this question in the canonical case of binary predictions and binary decisions. We first show that this problem is equivalent to a two-armed online contextual learning problem with full feedback, and establish a lower bound of $\Omega (\sqrt{|H| \cdot |B| \cdot T} )$ on the expected regret any learner can attain, where $H$ and $B$ denote the sets of human and AI confidence values. We then demonstrate that, under perfect alignment between AI and human confidence, a learner can attain an expected regret of $O(\sqrt{|H| \cdot T\log T})$ and, when $\sqrt{|H|} = O(\log T)$ and $B$ is countable, a non-trivial generalization of the Dvoretzky-Kiefer-Wolfowitz inequality improves the regret bound to $O(\sqrt{T\log T})$. Taken together, these results reveal that alignment can reduce the complexity of learning to make decisions with AI assistance. Experiments on real data from two different human-subject studies where participants solve simple decision-making tasks assisted by AI models show that our theoretical results are robust to violations of perfect alignment.

18.
arXiv (CS.CV) 2026-06-12

Iterative Visual Thinking: Teaching Vision-Language Models Spatial Self-Correction through Visual Feedback

Vision-language models (VLMs) achieve strong singleshot spatial grounding, yet lack any mechanism to observe and correct their own predictions. We find that naively prompting a VLM to iterate over rendered visualizations of its predictions causes catastrophic failure: Acc@0.5 on referring expression comprehension collapses from 79.6% to 48.7% (a 31 percentage point drop), revealing a fundamental gap between grounding capability and self-correction ability. We propose Iterative Visual Thinking (IVT), a closed-loop framework in which the model predicts a bounding box, observes the prediction rendered on the image, and iteratively refines through visual feedback. A two-phase training recipe closes the self-correction gap: first, we exploit the base model's own predictions as realistic errors and prompt a teacher VLM to generate corrective reasoning traces, yielding supervised data without human annotation; second, we apply Group Relative Policy Optimization (GRPO) with a simple IoU reward to stabilize multi-step refinement. On a mixed benchmark spanning RefCOCOg, Ref-Adv, and Ref-L4 (505 test samples), SFT warm-up with IVT surpasses the single-shot base model on every metric: Acc@0.5 rises to 82.0% (+2.4pp), Acc@0.7 to 74.1% (+3.2pp), and Acc@0.9 to 48.3% (+2.8pp). GRPO further reduces per-step IoU degradation by 5x, stabilizing the refinement trajectory. All training uses only 2,400 samples on a single GPU, demonstrating that spatial self-correction is a learnable capability that can be instilled at modest scale.

19.
arXiv (CS.AI) 2026-06-17

Discrete Autoregressive Transformer for Generative Mechanism Synthesis

arXiv:2606.17409v1 Announce Type: cross Abstract: Planar path synthesis requires mechanisms whose coupler curves match a prescribed trajectory; the mapping from curve to linkage is inherently one-to-many across four-, six-, and eight-bar topologies. We address this design problem with simulation-grounded evaluation on a curated corpus of over one million mechanisms, reporting Chamfer distance and dynamic time warping after forward kinematics and geometric alignment. We formulate synthesis as conditional autoregressive sequence modeling: joint coordinates are uniformly quantized to tokens and generated by a decoder-only transformer with a variational-autoencoder (VAE) latent of the target curve and an explicit mechanism-type token. Training combines token cross-entropy with a Gaussian-smoothed bin auxiliary loss that respects ordinal structure among bins. At inference, a bounded latent-noise schedule decodes all mechanism types at each noise level; we retain the top five candidates by geometric error, yielding diverse accurate families without dataset lookup. On held-out tests, aggregate mean Chamfer distance is $0.0132$ and mean dynamic time warping is $0.153$; a latent $k$-nearest-neighbor baseline that conditions on training-set neighbor latents in VAE space achieves matched-topology mean Chamfer distance $0.0071$ and mean dynamic time warping $0.117$ using the same decoder.

20.
arXiv (CS.LG) 2026-06-19

MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery

arXiv:2606.19624v1 Announce Type: new Abstract: Reliable benchmarking is critical for developing machine learning models for tandem mass spectrometry (MS/MS) based molecule discovery. Subtle issues in experimental design and model evaluation procedures can degrade the trustworthiness of such benchmarks and lead to erroneous conclusions. We conduct a thorough review of model evaluation issues in the recent MS/MS machine learning literature, using the standard MassSpecGym benchmark suite as a case study to illustrate the impact of these issues. We find evaluation issues in at least 17 of 26 papers reporting MassSpecGym benchmark results in the first year of its adoption. We isolate three classes of failures: (i) data leakage, (ii) shortcut learning, and (iii) implementation bugs and metric divergence. Through extensive experimentation and code replication, we quantify the impact of these issues and show how they corrupt the evaluation standards MassSpecGym was designed to enforce. We distill our findings into recommendations generalizable to MS/MS challenges, benchmarks, and custom evaluation setups. We also release MassSpecGym v1.5, an implementation of our recommendations in the MassSpecGym benchmarking suite which addresses the failure modes identified in this audit. MassSpecGym v1.5 is publicly available at https://github.com/pluskal-lab/MassSpecGym.

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

Human-in-the-Loop Atlas-Based 3D Asset Segmentation for Interactive Content Workflows

Segmenting 3D assets into meaningful regions remains challenging, especially when segmentation criteria are application-dependent and require user control. We present a human-in-the-loop pipeline for generating a segmented 2D parameterized atlas from a 3D model for interactive media, game, and XR content workflows. Our method first selects a compact set of rendered views using a greedy set cover strategy over sampled surface points, and then supports interactive segmentation of these views with SAM~2 and Label Studio. The resulting masks are back-projected onto the model's UV parameterization to produce a unified segmented atlas that supports downstream production tasks such as segment-wise material assignment, style transfer, and semantic labeling. We assess the pipeline through a demonstration-based technical evaluation on eight cultural heritage objects. The results show that the approach can generate usable segmented atlases across diverse geometries while revealing recurring sources of manual correction, particularly fine structures, cavities, and weak appearance boundaries.

22.
arXiv (CS.LG) 2026-06-19

Interactive Pareto navigation for deep multi-task learning

arXiv:2606.19521v1 Announce Type: new Abstract: In multi-task learning, handling an increasing number of objectives can quickly become challenging, both in terms of the computational resources and the decision maker's capacity to choose appropriate trade-offs. A widely used approach is thus to aggregate the individual losses in a single loss function by a weighted sum. This often fails to capture either the decision maker's preferences as a result of the shape of the Pareto front, or requires multiple adjustments and computations which becomes prohibitively expensive in deep learning applications. To address these issues, we introduce a novel framework, Preference Pareto Exploration (PPE), which enforces the decision maker's preferences while accounting for the geometry of the Pareto set in an interactive exploration process. PPE is based on a predictor-corrector method that performs predictor steps tangential to the manifold of Pareto-optimal solutions, following the decision maker's preference. The subsequent corrector step results in a new trade-off reflecting this preference. To avoid explicit Hessian computations when characterizing the tangent space of the manifold, we employ a Krylov subspace method that relies solely on matrix-vector products. These products can be efficiently obtained via automatic differentiation, ensuring both efficiency and robustness throughout the optimization process. The method's functionality and performance are demonstrated using both toy problems and examples from deep learning.

23.
arXiv (quant-ph) 2026-06-16

Single-Image Entanglement Verification with Spatially Encoded Measurement Contexts

arXiv:2606.15382v1 Announce Type: new Abstract: Entangled photon pairs produced by spontaneous parametric down-conversion exhibit rich spatial entanglement structure that is often difficult to probe with conventional measurements. Here, we show that spin-orbit optical elements can convert this spatial structure into directly observable quantum interference patterns. Using a $q$-plate, we demonstrate that the relative wavefront curvature of biphoton states generated by a pair of nonlinear crystals can be retrieved from the spatial modulation of coincidence images. Building on this principle, we introduce a liquid-crystal metasurface that performs spatially multiplexed Bell measurements across the transverse profile of the photon field. The device, which we call a Clauser-Horne-Shimony-Holt (CHSH) plate, assigns different polarization projections to different azimuthal sectors of the beam, allowing the sixteen joint measurements required for a CHSH test to be realized simultaneously in a single acquisition. In this architecture, the spatial coordinate acts as a classical register selecting the measurement context, while photon pairs sample these contexts according to their emission directions. We further demonstrate that the same measurement concept can be implemented using a programmable spatial light modulator, providing a dynamically reconfigurable realization of the scheme. Our results show that spatially structured optical elements can transform Bell tests into parallel measurements distributed across the transverse plane, enabling rapid characterization of spatially varying entanglement. This approach opens new possibilities for structured-light quantum measurements, Bell-inequality-based imaging, and the study of spatially engineered entangled photon sources.

24.
arXiv (CS.AI) 2026-06-17

TRACE: Learning to Compute on Circuit Graphs

arXiv:2509.21886v3 Announce Type: replace Abstract: Learning to compute, the ability to model the functional behavior of a circuit graph, is a fundamental challenge for graph representation learning. Yet, the dominant paradigm is architecturally mismatched for this task. This flawed assumption, central to mainstream message passing neural networks (MPNNs) and their conventional Transformer-based counterparts, prevents models from capturing the position-aware, hierarchical nature of computation. To resolve this, we introduce TRACE, a new paradigm built on an architecturally sound backbone and a principled learning objective. First, TRACE employs a Hierarchical Transformer that mirrors the step-by-step flow of computation, providing a faithful architectural backbone that replaces the flawed permutation-invariant aggregation. Second, we introduce function shift learning, a novel objective that decouples the learning problem. Instead of predicting the complex global function directly, our model is trained to predict only the function shift, the discrepancy between the true global function and a simple local approximation that assumes input independence. We validate this paradigm on various circuits modalities, including Register Transfer Level graphs, And-Inverter Graphs and post-mapping netlists. Across a comprehensive suite of benchmarks, TRACE substantially outperforms all prior architectures. These results demonstrate that our architecturally-aligned backbone and decoupled learning objective form a more robust paradigm for the fundamental challenge of learning the functional behavior of a circuit graph.

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

NOVA: NOise-aware Verbal Confidence CAlibration for Robust Large Language Models in RAG Systems

Accurately assessing model confidence is essential for deploying large language models (LLMs) in mission-critical factual domains. While retrieval-augmented generation (RAG) is widely adopted to improve grounding, confidence calibration in RAG settings remains poorly understood. We conduct a systematic study across four benchmarks, revealing that LLMs exhibit poor calibration performance especially when noisy contexts are retrieved. Specifically, contradictory or irrelevant evidence tends to exacerbate the model's overconfidence issue. To address this, we propose NOVA Rules (NOise-Aware Verbal Confidence CAlibration Rules) to provide a principled foundation for resolving overconfidence under noise. We further design NOVA, a noise-aware calibration framework that synthesizes supervision from ~2K HotpotQA examples guided by these rules. By performing supervised fine-tuning (SFT) with this data, NOVA equips models with intrinsic noise awareness without relying on stronger teacher models. Empirical results show that NOVA yields substantial gains, improving ECE scores by 10.9% in-domain and 8.0% out-of-domain. By bridging the gap between retrieval noise and verbal calibration, NOVA paves the way for both accurate and epistemically reliable LLMs.