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01.
arXiv (CS.AI) 2026-06-25

FDN: Interpretable Spatiotemporal Forecasting with Future Decomposition Networks

arXiv:2606.25201v1 Announce Type: cross Abstract: Spatiotemporal systems comprise a collection of spatially distributed yet interdependent entities each generating unique dynamic signals. Highly sophisticated methods have been proposed in recent years delivering state-of-the-art (SOTA) forecasts but few have focused on interpretability. To address this, we propose the Future Decomposition Network (FDN), a novel forecast model capable of (a) providing interpretable predictions through classification (b) revealing latent activity patterns in the target time-series and (c) delivering forecasts competitive with SOTA methods at a fraction of their memory and runtime cost. We conduct comprehensive analyses on FDN for multiple datasets from hydrologic, traffic, and energy systems, demonstrating its improved accuracy and interpretability.

03.
arXiv (quant-ph) 2026-06-17

Full-state information-disturbance tradeoff for direction estimation with antiparallel spin-coherent pairs

arXiv:2606.18040v1 Announce Type: new Abstract: We determine the optimal information–disturbance tradeoff for estimating an unknown spatial direction encoded in two antiparallel spins. Rotational covariance reduces the optimization over all instruments to a finite-dimensional Choi problem: a positive seed operator obeys one trace constraint for each irreducible sector of the input representation, while both the directional score and the operation fidelity are linear functionals of this seed. For two antiparallel spin-$1/2$ particles, whose physical representation decomposes as $0\oplus1$, we derive the two-multiplier dual problem and characterize the optimal instrument from the kernel vectors of the dual slack operator. The optimal operation is a covariant filter with scalar–vector coherence and is generally not a convex interpolation between the identity channel and a measure-and-reprepare strategy. At maximum information we recover the Gisin–Popescu score, but the least disturbing output state is optimized independently, giving a smaller disturbance than both the parallel-spin benchmark and antiparallel measure-and-reprepare. We also formulate the parallel benchmark and, as a central extension of the method, treat antiparallel spin-coherent states of arbitrary spin $j$. In this case the signal coherently occupies all sectors $\ell=0,\ldots,2j$ of $j\otimes j$, the endpoint information is governed by nearest-neighbor sector coherences, and the endpoint disturbance is obtained from an explicit finite block-diagonal eigenvalue problem.

04.
arXiv (CS.LG) 2026-06-24

A Time-Reparameterized Cumulative Intensity Extrapolation Sampler for Discrete Flow Matching

arXiv:2606.24140v1 Announce Type: new Abstract: Discrete flow matching (DFM) provides a principled framework for generative modeling on discrete state spaces via continuous-time Markov chain dynamics. In practice, sampling for DFM commonly employs discretizations such as $\tau$-leaping, yet efficient sampling methods under a limited number of function evaluations (NFE) remain less studied. To address this gap, we propose the Time-Reparameterized Cumulative Intensity Extrapolation (TR-CIE) sampler, which aims to improve sampling quality when function evaluations are restricted. TR-CIE consists of two components. First, a schedule-based time reparameterization rescales the time grid according to the noise schedule. Under standard factorized DFM rate parameterizations, this transformation of variables absorbs the schedule-dependent growth term and mitigates stiffness near the terminal sampling stage. Second, we introduce a cumulative-intensity extrapolation updating rule. By reusing cached model outputs from the previous step as a history term, this improves the approximation of stepwise cumulative intensities on the resulting non-uniform time grid. We provide a theoretical analysis that bounds the local approximation error of cumulative intensities and establishes convergence results. The resulting sampler requires one NFE per step and introduces no additional model evaluations compared to the standard $\tau$-leaping sampler. Extensive experiments on synthetic tasks, text generation, and text-to-image benchmarks demonstrate that our method improves sampling quality under limited NFE.

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

Minimal surfaces, Knots, and Neural Networks

arXiv:2605.26234v2 Announce Type: replace-cross Abstract: A recent conjecture by Joel Fine posits a relationship between the coefficients of the HOMFLY polynomial of a knot $K$ in the 3-sphere $S^3$, and the signed count of minimal surfaces in hyperbolic 4-space $\mathrm{H}^4$ meeting the sphere at infinity at $K$, with prescribed genus and self-intersection number. In this paper, we develop a novel machine learning framework based on Physics-Informed Neural Networks (PINNs) to solve the minimal surface equation in hyperbolic space. We utilise this framework to test Fine's Conjecture by constructing near-minimal surfaces bounding various families of knots in $S^3$. Furthermore, we develop an algorithmic method to find self-intersections and compute their sign. For every knot analysed, the computationally discovered minimal surfaces and their self-intersection numbers perfectly align with the predictions of Fine's Conjecture, providing empirical evidence for it.

07.
arXiv (CS.AI) 2026-06-11

Skill-Augmented AI Agents for Medical Research Analysis: An Exploratory Multi-Model Human Evaluation in an NSCLC Transcriptomic Biomarker Task

arXiv:2606.11830v1 Announce Type: new Abstract: Background. Large language models and AI agents are increasingly used to support biomedical research, but native model outputs may omit key analytical steps, misuse methods, or overstate conclusions. We evaluated whether autonomous access to a medical research skill package was associated with higher-quality AI-generated transcriptomic research-analysis outputs compared with native AI without skills. Methods. We conducted an exploratory multi-model human evaluation using a non-small cell lung cancer immunotherapy biomarker task. Six model backbones were tested. The evaluation included 21 anonymized outputs: 9 native-AI outputs and 12 skill-augmented outputs generated through an AI agent implementation represented by OpenClaw. Four non-expert biomedical reviewers and two blinded experts evaluated each output, with two ratings from each reviewer type. The primary outcome was expert-rated overall quality. Results. Skill-augmented outputs showed directionally higher expert overall quality than native-AI outputs (mean 5.50 vs 5.11; difference=0.39; bootstrap 95\% CI, -0.04 to 0.90; Welch p=0.156). Non-expert reviewer quality showed the same direction (mean 4.72 vs 4.47; difference=0.26; bootstrap 95\% CI, -0.25 to 0.80; Welch p=0.373). Expert agreement was limited (single-rating ICC=-0.15), and model-specific effects were descriptive and heterogeneous. Conclusions. Autonomous skill access showed a directional quality signal in this exploratory sample, but the signal was smaller than expert-rating noise and should not be interpreted as confirmatory evidence. The findings primarily motivate larger evaluations of skill-augmented AI agents with stronger reliability controls, platform replication, and biological-validity assessment.

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

Leveraging Energy Features for Surface Classification with Deep Learning: A Comparative Analysis Across Three Independent Datasets

arXiv:2606.18698v1 Announce Type: cross Abstract: The energy-based method remains a comparatively underexamined approach for surface classification in mobile robotics, despite promising results in constrained environments. This study evaluated the viability of using energy-derived features as either a standalone classification modality or as supplementary input to inertial data. A comprehensive evaluation was conducted across three publicly available datasets, comparing the performance of modern deep learning architectures including recurrent neural networks, convolutional neural networks, encoder-only transformers, and Mamba state-space models, under automated hyperparameter tuning and input sequence length optimization. The models achieved higher accuracy than previously reported values on all evaluated datasets, with the convolutional neural network yielding the highest overall performance. When relying exclusively on energy-based features, the models attained classification accuracies in the range of 85-90%, approximately 5-10% lower than those achieved when combined with inertial features (96-99%). Augmenting inertial data with energy features resulted in a consistent mean accuracy improvement of 1-2%. These findings indicate that classifiers relying solely on energy features offer sufficient accuracy for standalone deployment, while also providing a consistent gain when used in combination with other sensing modalities.

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

KANLib – An Modular, Extensible and Fast Kolmogorov-Arnold Network Implementation

arXiv:2606.17927v1 Announce Type: cross Abstract: Kolmogorov-Arnold Networks (KANs) have recently emerged as a promising alternative to traditional multilayer perceptrons by replacing linear weights with learnable univariate functions. Despite their theoretical advantages in interpretability and expressiveness, practical research of KANs remains difficult due to high computational costs and inconsistent feature support across existing frameworks. This paper introduces KANLib, a modular, extensible, and computationally efficient framework for developing and evaluating KAN architectures. KANLib unifies core concepts from existing implementations, including PyKAN, EfficientKAN, and FastKAN, within a consistent software architecture that emphasizes flexibility, feature parity, and high performance. The framework supports two basis function types, adaptive grid rescaling, grid extension, and fine-grained architectural customization while maintaining compatibility with standard PyTorch workflows. Experimental evaluation on the California Housing benchmark demonstrates that KANLib reproduces the predictive behavior of established reference KAN implementations while achieving competitive computational efficiency. Furthermore, the framework enables the exploration of architectural variations beyond standard KAN formulations with only minor impacts on predictive performance. Overall, KANLib provides a robust foundation for future research on scalable and extensible KAN architectures.

10.
arXiv (quant-ph) 2026-06-15

Efimov Effect in Ultracold Microwave-Shielded Polar Molecules

arXiv:2602.21433v2 Announce Type: replace-cross Abstract: A quantum-mechanical description is presented for the three-body physics of shielded dipolar molecules, including a prediction of observable Efimov physics. Despite the anisotropic and long-range nature of the interaction, shielding enables a regime in which universality emerges already at the two-body level and extends to the three-body sector, where Efimov physics emerges. On the negative side of the scattering-length resonance, computed trimer binding energies display the characteristic scaling expected for Efimov resonances. Finally, the sudden approximation can be used to create trimer bound states, starting from positive energy trap states as a way to create or detect these molecular trimers. Moreover, the three-body parameter expressed in dipolar units is found to be universal.

11.
medRxiv (Medicine) 2026-06-24

Breaking The Pain-Stiffness Cycle- Supraclavicular Catheter Facilitated Rehabilitation Of Post-Surgical Elbow stiffness- A Retrospective Observational Study

ABSTRACT Background: Post-traumatic elbow stiffness is a recognised complication following orthopaedic trauma surgery, occurring in 10-15% of trauma patients sustaining injuries. Pain remains the primary barrier to physiotherapy compliance, with surgical arthrolysis carrying recurrence rates of up to 34%. The supraclavicular brachial plexus block, referred to as the 'spinal of the arm', provides anaesthesia and analgesia to the entire upper limb below the shoulder. A structured non-surgical approach combining continuous catheter analgesia with timed rehabilitation was identified as an unmet need in this patient group. Methods: A single-centre retrospective observational study was conducted on data of patients treated for post-surgical upper limb stiffness between January 2022 and April 2026. Of 30 patients identified, 28 with elbow involvement formed the primary analysis group following exclusion of 2 patients with isolated wrist stiffness and complex regional pain syndrome. Ultrasound- guided supraclavicular brachial plexus catheters were inserted using the Contiplex system. Patients received 0.5% Bupivacaine (10-15ml) for initial blockade, followed by daily top-up doses of 0.2% Ropivacaine(20ml) given 30 minutes prior to structured physiotherapy and CPM sessions for up to 5 days. The primary outcome was change in arc of elbow motion in degrees, measured by the attending orthopaedic consultant using standard goniometry. Results: Complete pre- and post- intervention data were available for all 28 patients. Mean pre-intervention arc of elbow motion was 39.1{degrees}(SD+/-23.2{degrees}), improving to 104.2{degrees}(SD+/- 30.0{degrees}) post-intervention. Mean improvement was 65.1{degrees}(SD+/- 30.6{degrees} ); 95% CI 53.8{degrees} to 76.4{degrees} ; range 10{degrees}-140{degrees} ; paired t-test t=-11.27, p

12.
medRxiv (Medicine) 2026-06-23

Isolation And Characterization Of Bacteria Associated With Urethritis In Women Within Child Bearing Age Attending Local African Health Clinics

Background: Urethritis in women of childbearing age constitutes a significant but underreported burden of reproductive morbidity in Sub-Saharan Africa, where diagnostic constraints often necessitate suboptimal syndromic management. Methods: To identify the localized etiological profile, mid-stream urine and urethral swab specimens were prospectively collected from symptomatic women attending local clinics, subjected to standard microbiological culture, and characterized using rigorous phenotypic and biochemical diagnostic protocols. Results: Microbiological analysis successfully isolated a high prevalence of both Gram-negative and Gram-positive uropathogens, predominantly Escherichia coli, Staphylococcus aureus, and Klebsiella pneumoniae, demonstrating distinct phenotypic traits characteristic of the regional microbial ecology. Conclusion: The pronounced isolation of these specific bacterial agents highlights the critical inadequacy of generalized empirical treatments and underscores the urgent need for tailored diagnostic criteria in resource-limited African healthcare settings.

13.
arXiv (math.PR) 2026-06-19

Finite-Sample Bounds for Expected Signature Estimation under Weak Dependence

arXiv:2605.20541v2 Announce Type: replace-cross Abstract: The expected signature uniquely determines the law of a random rough path under a moment-growth condition, yet finite-sample bounds for estimating its truncations from a single long dependent trajectory remain unavailable. We study a strictly stationary stochastic process equipped with a geometric rough-path lift, observed in non-overlapping blocks of equally-spaced samples, and prove a non-asymptotic mean-squared error (MSE) bound for the block-averaging estimator of its truncated expected signature. Under moment and stationarity assumptions together with a direct covariance-decay condition on block signatures – strictly weaker than $\alpha$-mixing and applicable to long-range-dependent processes – the error separates into a discretization term and a fluctuation term, with rates determined respectively by path regularity and dependence strength. A levelwise rough-factorial variance analysis keeps finite-truncation constants explicit and yields an optimal allocation rule under a fixed observation budget. We verify the assumptions for independent-coordinate fractional Ornstein–Uhlenbeck processes in three regimes: short-range (Hurst $1/41/2$. Monte Carlo experiments show empirical slopes steeper than the guaranteed upper-bound rates.

14.
arXiv (CS.CV) 2026-06-25

Brevity is the Soul of Inference Efficiency: Inducing Concision in VLMs via Data Curation

Inference efficiency is typically pursued by shrinking the model: distillation, pruning, quantization, and sparse routing each lower per-token cost while treating token count as fixed. But output length has been inflating, and it is precisely the component the standard toolkit leaves untouched. Here, we argue that brevity is the missing inference-efficiency lever, and that pretraining data curation is a practical way to pull it: a model trained on concise, correct data learns to answer in fewer tokens; i.e. it has a lower Cost-of-Pass. We apply our VLM curation pipeline to the MAmmoTH-VL single-image subset, and compare models trained on our curated data, the standard MAmmoTH-VL data, and external open-weight frontier VLMs. On a controlled 20-evaluation set and 14 VLMs at 1B-4B activated parameters, we hold output length fixed with a per-model regression, separating brevity from quality, and price models in FLOPs per correct answer. Curation buys a 35x Cost-of-Pass advantage over the most verbose 4B comparator (Qwen3.5-4B) within $\sim$1 pp of accuracy (0.41 vs 14.58 TFLOPs per correct answer; 0.691 vs 0.704 mean accuracy). Curation also buys a +17.55-percentage-point matched-length accuracy gain over the uncurated baseline that grows with model scale (from +16.7 pp at 1B to +21.2 pp at 4B). This brevity improvement concedes no quality: generic verbosity buys no accuracy at any capability or scale, and the window where reasoning-structured verbosity still earns its tokens shrinks from 4 of 8 capability groups at 2B to 1 of 8 at 4B. Per example, the concise model even reaches correct answers the verbose reasoning model misses, marking reasoning as a distinct curation target rather than something brevity gives up. Inference efficiency in this regime is a tokens-per-correct problem, and brevity is the lever that targets it directly.

15.
arXiv (CS.AI) 2026-06-24

AI Tokenomics: The Economics of Tokens, Computation, and Pricing in Foundation Models

Authors:

arXiv:2606.24616v1 Announce Type: new Abstract: Tokens have become the practical accounting unit for modern foundation model services, linking information processing, computation, memory use, energy expenditure, pricing, and economic value. This paper develops a framework for AI tokenomics: the study of how tokens are generated, consumed, priced, allocated, and optimized across AI systems. We connect token-level technical costs to workflow-level production functions, enterprise resource allocation, measurement and instrumentation methods, and emerging market-design questions. The framework shows that token expenditure and economic value are distinct: value depends on marginal productivity, workflow position, hidden reasoning activity, risk, and downstream propagation effects. The paper concludes by identifying open research directions in hidden-token measurement, empirical calibration, token productivity, dynamic allocation, and token-based markets.

16.
arXiv (CS.AI) 2026-06-24

Fast and Slow Variational Continual Learning

arXiv:2606.24007v1 Announce Type: cross Abstract: Continual learning remains a major challenge for modern deep networks, partly because commonly used optimizers lack inherent mechanisms for continual adaptation. One such natural mechanism is fast and slow adaptation to balance stability and plasticity. This mechanism has deep roots in neuroscience and biology, but there is no consensus on how to best incorporate it in commonly used optimizers. Here, we show that this can be easily done via the VCL framework, where past posteriors are used as priors in the future. Our key idea is to incorporate slow adaptation via merging of past posteriors to slow down the drift in the knowledge as learning progresses. The merged posterior is then used as the prior in the VCL update to implement the fast-weight updates. These steps can be seamlessly implemented in the IVON optimizer, whose form and costs are nearly identical to that of Adam. We call this new optimizer the Continual IVON (CoVON) optimizer and show that it not only consistently improves over existing VCL optimizers, but also performs better than other weight-regularization strategies across domain-incremental learning, continual pre-training, and fine-tuning of large language models.

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

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

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

18.
arXiv (CS.CL) 2026-06-18

CEO-Bench: Can Agents Play the Long Game?

Language model agents are becoming proficient executors at isolated, short-horizon tasks such as software engineering and customer service. Yet real-world challenges require a combination of sophisticated skills that remain largely untested in agents: (1) navigating long horizons amid uncertainty; (2) acquiring information in noisy environments; (3) adapting to a changing world; (4) orchestrating multiple moving parts toward a coherent goal. We introduce CEO-Bench, which evaluates these capabilities together by simulating a representative real-world task: operating a startup for 500 days. An agent manages pricing, marketing, budgeting, and many other aspects of a fictional company through a programmable Python interface, operating in the same environment and facing the same challenges as a human CEO. Success demands analyzing noisy, interconnected business databases, translating signals into sound strategy, and coordinating many decisions with programming. The strongest agents write sophisticated code that simulates customer cohorts to forecast future cash and mines negotiation history to uncover hidden customer preferences. Even so, most state-of-the-art models struggle in this environment. Only Claude Opus 4.8 and GPT-5.5 finish above the $1M starting balance, and neither consistently turns a profit. CEO-Bench takes a first step toward measuring the intelligence required to drive sustained, adaptive progress over time.

19.
bioRxiv (Bioinfo) 2026-06-24

An atlas-scale generative model for unified representation learning of bulk RNA-seq data

Public bulk RNA-seq repositories contain hundreds of thousands of samples, creating opportunities for large-scale representation learning, but integration across studies remains challenging because of heterogeneous annotations, experimental protocols, and technical variation. While pre-trained foundation models are now widely available for single-cell RNA-seq, comparable resources for bulk RNA-seq remain scarce, motivating a model that learns a unified, tissue-aware representation directly from bulk data. We trained a supervised variational autoencoder (VAE) on a compendium of 118,263 bulk RNA-seq samples that we assembled from TCGA, GTEx, and ARCHS4 and mapped to 42 tissue categories. The model classifies tissue of origin at 94.9% balanced accuracy (weighted F1 96.2%) and compresses 16,115 genes into a 121-dimensional latent space. Tissue identity is the primary organizing axis of the latent space, while source effects remain secondary. To assess the impact of data volume, we constructed training sets at three different scales (38K, 75K, and 118K samples). Our results demonstrated that reconstruction fidelity improved incrementally with each expansion of the dataset, but with diminishing returns. We validated the model on an independent cohort of 734 paediatric tumour samples from TARGET, achieving 84.6% agreement with the expected tissue of origin. The trained model and code are available at GitHub (https://github.com/BIMSBbioinfo/flexynesis_tissue_vae_manuscript) with an interactive web application.

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

Variational Learning for Insertion-based Generation

arXiv:2606.02133v3 Announce Type: replace-cross Abstract: Non-monotonic sequence generation methods, such as masked diffusion models, provide a flexible alternative to left-to-right autoregressive modeling by allowing tokens to be generated in non-fixed and prescribed orders. Despite their practical advantages, most existing non-monotonic models are order-agnostic and rely on a fixed-length grid, limiting their ability to support variable-length generation and adaptive insertion order. In this work, we introduce a probabilistic framework for learning insertion order in variable-length insertion models. We formalize a bijective correspondence between insertion trajectories and permutations, which enables an exact reparameterization of the data likelihood as a sum over permutations. Building on this result, we propose the Insertion Process (IP), a stochastic generative model that jointly learns where to insert, what to insert, and when to terminate, trained via permutation-based variational inference. Unlike prior fixed-canvas approaches, IP natively supports variable-length generation and learns data-driven preferences over insertion orders. Experiments on goal-conditioned planning and molecular string generation demonstrate that learning insertion order improves both modeling quality and generalization in domains without a canonical left-to-right structure.

21.
arXiv (CS.CL) 2026-06-12

EvoBrowseComp: Benchmarking Search Agents on Evolving Knowledge

Search Agents – large language models augmented with search tools – have intensified the need for future-proof evaluation benchmarks. Existing benchmarks such as BrowseComp rely on static knowledge, making them vulnerable to test-set contamination and parametric memorization. Consequently, models can achieve high scores through fact recall rather than genuine retrieval, obscuring true browsing competence via reasoning shortcuts. In this paper, we introduce EvoBrowseComp, an evolving benchmark of 400 English and 400 Chinese contamination-free complex questions synthesized via live-web traversal. To collect these questions, we design a three-agent collaborative framework: (1) a QA synthesis agent that retrieves fresh knowledge from the live web to synthesize QA pairs; (2) an information filtering agent that filters retrieved knowledge in terms of credibility and popularity to block parametric shortcuts; and (3) a high-level guidance agent that formalizes questions into reasoning graphs to reduce logical redundancy and shortcuts in synthesized QA pairs. Because the framework supports fully automated synthesis, EvoBrowseComp can be regularly updated to prevent data contamination and maintain temporal freshness. Extensive experiments confirm its great difficulty, requiring broad horizontal search. It establishes a scalable paradigm for auto-updatable, high-difficulty benchmarking that keeps pace with both evolving world knowledge and advancing agent capabilities.

22.
bioRxiv (Bioinfo) 2026-06-19

Tox21mer, A transformer foundation model for Tox21 high-throughput concentration-response curves data

The U.S. Tox21 collaboration has generated a large reference library of high-throughput concentration-response assays. Here we present Tox21mer, a 43.5-million-parameter transformer that encodes each Tox21 concentration-response curve together with assay metadata into a 768-dimensional representation. Tox21mer was pretrained on ~2.5 million curves from 102 assay protocols and 6,727 compounds using masked-response reconstruction as the primary objective, with low-weight auxiliary supervision on assay outcome and AC50. To evaluate the learned representation, we trained lightweight probes on frozen embeddings from concentration-response curves of held-out compounds. The representation supported a macro-F1 of 0.985 for three-class outcome prediction (agonist, antagonist, inactive), a binary F1 of 0.994 for active/inactive prediction, and an R2 of 0.87 for log10(AC50). The learned embeddings formed coherent groupings by curve-class category. A masked-only pretraining variant retained near-baseline probe performance, indicating that the representation is learned largely from the self-supervised objective rather than from auxiliary labels. Ablation analyses further showed that predictive performance depends mainly on curve-level response-value distributions conditioned on assay context, with limited reliance on detailed within-curve ordering. Tox21mer thus provides a reusable foundation representation for Tox21 concentration-response data that can support extrapolation to untested compounds through integration with chemical features or distillation into chemistry-only student models for large-scale external screening.

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

Imbalanced Semi-Supervised Learning via Label Refinement and Threshold Adjustment

arXiv:2407.05370v3 Announce Type: replace Abstract: Semi-supervised learning (SSL) algorithms often struggle to perform well when trained on imbalanced data. In such scenarios, the generated pseudo-labels tend to exhibit a bias toward the majority class, and models relying on these pseudo-labels can further amplify this bias. Existing imbalanced SSL algorithms explore pseudo-labeling strategies based on either pseudo-label refinement (PLR) or threshold adjustment (THA), aiming to mitigate the bias through heuristic-driven designs. However, through a careful statistical analysis, we find that existing strategies are suboptimal: most PLR algorithms are either overly empirical or rely on the unrealistic assumption that models remain well-calibrated throughout training, while most THA algorithms depend on flawed metrics for pseudo-label selection. To address these shortcomings, we first derive the theoretically optimal form of pseudo-labels under class imbalance. This foundation leads to our key contribution: SEmi-supervised learning with pseudo-label optimization based on VALidation data (SEVAL), a unified framework that learns both PLR and THA parameters from a class-balanced subset of training data. By jointly optimizing these components, SEVAL adapts to specific task requirements while ensuring per-class pseudo-label reliability. Our experiments demonstrate that SEVAL outperforms state-of-the-art SSL methods, producing more accurate and effective pseudo-labels across various imbalanced SSL scenarios while remaining compatible with diverse SSL algorithms. The code is publicly available (https://github.com/ZerojumpLine/SEVAL).

24.
arXiv (quant-ph) 2026-06-11

Permutation-Invariant N-body gates via Tavis-Cummings Hamiltonian

arXiv:2506.03453v3 Announce Type: replace Abstract: Global control provides a promising route to implementing multi-qubit gates without individual qubit addressing. This is especially appealing for permutation-invariant (PI) gates, whose symmetry is often broken when they are compiled into individually addressed one- and two-qubit gates. Important examples include SWAP, $\sqrt{iSWAP}$, and the n-qubit controlled-Z gate, which is equivalent, up to two single-qubit Hadamard gates, to the multi-qubit Toffoli gate. Motivated by this global-control perspective, we show that all PI unitaries on an arbitrary number of qubits can be realized using the Tavis-Cummings (TC) interaction, the multi-qubit version of the Jaynes-Cummings interaction, together with global uniform z and x fields. Here, the $n$ qubits are identically coupled to a single bosonic mode (oscillator), which is initialized in and returned to its vacuum state. A corollary is that all PI states, including GHZ and Dicke states, can be prepared using the same global control. For the case n=2 qubits, which is particularly important in quantum computing, we also find explicit pulse sequences for implementing all PI qubit unitaries that conserve angular momentum in the z direction, using only the TC interaction and global z fields. This includes controlled-Z, SWAP, and $\sqrt{iSWAP}$.

25.
arXiv (CS.CV) 2026-06-16

When Confidence Lacks Concepts: Interpretable OOD Detection via Representation Perturbations

Deep neural networks have achieved remarkable performance across medical imaging tasks, yet their tendency to overgeneralize under distributional shifts poses a major obstacle to safe clinical deployment. Out-of-Distribution (OOD) detection methods aim to mitigate this risk, but most existing approaches rely on opaque internal signals with poorly understood semantic meaning, limiting trust in safety-critical settings. In this work, we propose an interpretable OOD detection framework that probes the stability of model predictions under class-conditioned semantic perturbations. Leveraging sparse autoencoders (SAEs), we learn class-specific concept vectors from in-distribution data that disentangle dense intermediate representations into sparse, semantically meaningful components. At inference, we perturb deeper-layer representations using the concept vectors associated with the model's predicted class and measure the class logits stability. We hypothesize that in-distribution samples exhibit low sensitivity to such perturbations, as their representations align with class-specific semantic directions, whereas OOD samples show amplified deviations due to representational misalignment. By framing OOD detection as a concept conditioned stability analysis, our approach provides both a discriminative OOD signal and an interpretable lens into the internal mechanisms driving model uncertainty, making it particularly suitable for high stakes medical applications.