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01.
arXiv (CS.LG) 2026-06-19

Predicting Mergeability of Parameter-Efficient Fine-Tuning Updates

arXiv:2606.19549v1 Announce Type: new Abstract: Low-rank adaptation (LoRA) makes it cheap to train many domain- and task-specific language model adapters, but whether two adapters can be merged is usually discovered only after both have been fully trained and evaluated. This late feedback is costly: adapters that are strong in isolation can interfere destructively once their updates are combined. We ask whether this outcome can be anticipated. We formalize adapter mergeability as the degree to which an adapter preserves its single-task utility after merging, and show that it can be forecast from signals measured in the first few percent of training – chiefly how the low-rank updates and their gradients align across tasks and how much they disturb shared representations. We package these signals into MergeProbe, a lightweight predictor that estimates pairwise and set-level retention and turns the estimate into a concrete decision: merge directly, reweight, prune, or route. On MERGE-PEFT, a five-domain benchmark spanning math, code, science, instruction following, and safety, MergeProbe attains the best average and worst-case retention among strong interference-aware merge baselines while adding far less deployment overhead than full task routing. This turns LoRA merging from a post-hoc engineering step into an anticipatory measurement problem.

02.
arXiv (CS.CL) 2026-06-19

Quality Over Clicks: Iterative Reinforcement Learning for Early-Stage E-Commerce Query Suggestion

Existing dialogue systems rely on query suggestion to enhance user engagement. Recent approaches mainly optimize generative models using click-through rate (CTR) models to align with user preferences. However, these methods are less effective in early-stage deployment scenarios, where click feedback is sparse and insufficient for training a reliable CTR model. To bridge this gap, we propose QualEQS, a quality-first iterative reinforcement learning framework for e-commerce query suggestion. We formalize actionable suggestion quality along three dimensions that directly affect downstream usability: answerability, factuality, and information gain. To continuously improve from online traffic without click supervision, we further propose group-level disagreement among candidate suggestions to identify ambiguous query contexts and mine hard training cases for iterative refinement. We also introduce EQS-Benchmark, a dataset of 16,949 real-world e-commerce queries for offline training and evaluation. Experiments show that our quality-based offline metrics correlate strongly with online performance, providing a practical evaluation recipe for sparse-feedback deployment. In both offline and online settings, QualEQS consistently outperforms strong baselines, yielding a 6.81% improvement in online ChatPV in a real-world enterprise-level conversational shopping assistant system.

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

Before You Think: System 0, AI-Mediated Cognition and Cognitive Colonization

arXiv:2606.13658v1 Announce Type: new Abstract: This paper examines three recent frameworks for understanding the cognitive and epistemic consequences of artificial intelligence: Tri-System Theory, Thinkframes, and System 0. It argues that while the first two capture important dimensions of AI's influence on individual reasoning and collective epistemic practices, System 0 occupies a theoretically distinctive position that neither can fully replicate. The paper introduces the concept of cognitive colonization, according to which AI systems can embed external interests within the architecture of the self in ways that are difficult for users to perceive. Because such systems are already widely deployed, understanding these invisible forms of influence is an urgent philosophical and practical task.

04.
arXiv (CS.AI) 2026-06-16

The Distributed Detectability Band Against Marginal-Preserving Attacks

arXiv:2606.10456v2 Announce Type: replace-cross Abstract: AI-control monitors score individual agent actions to detect misbehavior, but real harm can be distributed across many benign-looking steps, each individually below any per-step alarm. We construct a marginal-preserving, correlation-encoded distributed-sabotage attack using a Gaussian-copula AR(1) construction: the per-step monitor-score marginal is held exactly equal to benign, so mean, max, top-k tail, and threshold monitors (Monitor A) are defeated by construction, while harm is encoded in the temporal correlation structure. We sequence the paper around three reviewer-mandated gates. (1) Realizability gate: the stealthy attack achieves KS-distance to benign of 0.013 (effectively zero) at all tested harm levels up to 3.0, confirming that harm is fully decoupled from the per-step marginal and realizability is not harm-limited. (2) Monitor-A-vs-B reconciliation: we show formally that the attack, built against Monitor A's score marginal, remains marginal-preserving under a different-score Monitor B (the correlation/sequence family: CUSUM, SPRT, HMM-LR, runs test, autocorrelation, windowed logistic), and scope worst-case claims to score functions that admit a temporal signature. (3) Non-empty detectability band: Monitor A achieves AUC 0.52 (chance); Monitor B spans AUC 0.79-0.97 at the same 1% FPR target, and as harm is amortized over more steps Monitor A collapses to chance while Monitor B holds at AUC ~0.95. These results demonstrate a non-empty detectability band and characterize the sub-threshold sabotage frontier: distribution-shape monitors fail by construction; temporal-correlation monitors can detect but are not trivially optimal.

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

A Unified Latent Space Disentanglement VAE Framework with Robust Disentanglement Effectiveness Evaluation

arXiv:2603.11242v2 Announce Type: replace-cross Abstract: Evaluating and interpreting latent representations, such as variational autoencoders (VAEs), remains a significant challenge for diverse data types, especially when ground-truth generative factors are unknown. To address this, we unify several state-of-the-art disentangled VAE approaches for latent space disentanglement into one framework – bfVAE. To assess the effectiveness of a disentangled VAE model and enhance latent space interpretability, we propose Feature Variance Heterogeneity via Latent Traversal (FVH-LT) and Dirty Block Sparse Regression in Latent Space (DBSR-LS). To ensure robust interpretability of learned latent space, we develop a greedy alignment strategy (GAS) that mitigates label switching and aligns latent dimensions across runs to set the foundation of result aggregation. We also introduce a convenient scalar latent space separation index (LSSI) based on the GAS-aligned outputs of FVH-LT and DBSR-LS to summarize the overall latent structural separation without knowledge of the ground-truth generative factors. We compare bfVAE to five VAE models and validate the effectiveness FVH-LT, DBSR-LS, and LSSI in on seven tabular and image datasets. Under our examined experimental settings, bfVAE provides a more flexible disentanglement framework achieves more favorable overall trade-off between disentanglement and reconstruction than the benchmark VAE models; FVH-LT and DBSR-LS reliably uncover semantically meaningful and domain-relevant latent structures and generally yield consistent results; and LSSI makes an effective quantitative summary of latent structural separation.

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

Time-Series Foundation Model Embeddings for Remaining Useful Life Estimation

arXiv:2606.11990v1 Announce Type: cross Abstract: Remaining Useful Life (RUL) prediction is essential for industrial predictive maintenance, yet many learning-based approaches rely on extensive feature engineering or large labeled datasets to train task-specific sequence models. In this work, we introduce a lightweight learning approach, in which we leverage a frozen pretrained time-series foundation model (TSFM) and combine it with a small regression head for RUL estimation from multivariate sensor streams. More specifically, we use Chronos-2 as a frozen backbone to extract context window features and train a lightweight regression neural network for RUL prediction. Experiments on real-world industrial sensor data from two device types show that Chronos-2 features consistently improve over recurrent, convolutional, Transformer-based, and gradient-boosting baselines under the same preprocessing and evaluation protocol. We further analyze the impact of context length and find that performance improves significantly with longer histories, indicating that TSFM representation offer a practical and data-efficient alternative for RUL estimation in industrial settings.

07.
arXiv (CS.AI) 2026-06-17

A Machine-Learned Comorbidity Index

arXiv:2606.17450v1 Announce Type: new Abstract: Traditional comorbidity scores (e.g., Charlson and Elixhauser) are widely used for risk adjustment and patient stratification, but they have two key limitations: (i) they are largely mortality-centric and do not align well with other clinical outcomes, and (ii) their linear, rule-based structure cannot capture nonlinear, outcome-specific risk relationships. We propose a Machine-Learned Comorbidity Index (MLCI) that maps diagnosis codes to a single scalar by maximizing the normalized Hilbert-Schmidt Independence Criterion (nHSIC) between the learned score and multiple clinical outcomes. MLCI captures nonlinear risk-outcome dependence and is supported by a theory that characterizes when a unified, informative admission-level ordering can be achieved across outcomes. Empirical results on multiple benchmark electronic health record (EHR) datasets show that MLCI outperforms strong baselines across multiple evaluation metrics.

08.
arXiv (CS.AI) 2026-06-11

SPEAR: A System for Post-Quantization Error-Adaptive Recovery Enabling Efficient Low-Bit LLM Serving

arXiv:2606.11244v1 Announce Type: cross Abstract: Efficient large language model (LLM) serving is increasingly constrained by deployment cost. Quantization is a key technique for reducing serving cost, yet even state-of-the-art 4-bit quantizers exhibit a noticeable quality gap from FP16, particularly for smaller models where low-bit serving is most beneficial. We identify a fundamental cause of this gap: quantization error is highly input-dependent and varies substantially across tokens, while existing post-quantization compensation methods are static and apply identical corrections to all inputs. As a result, easy tokens are over-corrected while hard tokens remain under-corrected. We present SPEAR, a system for post-quantization error-adaptive recovery that improves low-bit LLM serving. SPEAR introduces lightweight Error Compensators (ECs) modulated by per-token gates and places them only at the most error-sensitive layers identified through a CKA-guided entropy-aware diagnostic. This focuses a small parameter budget where it is most effective. Efficient deployment of ECs presents several systems challenges, including additional computation, tensor-parallel synchronization caused by input-dependent gating, and latency instability across configurations. SPEAR addresses these issues through adaptive kernel-fusion dispatch, combining an epilogue-integrated peer-reduction kernel with P2P dual-write to fuse the post-EC computation into low-bit GEMMs, and an SLO-constrained EC-aware scheduler for predictable serving performance. Across challenging per-channel quantization settings, SPEAR recovers 56-75% of the perplexity gap between W4 and FP16 while adding less than 1% model memory overhead and maintaining latency comparable to a widely used 4-bit serving deployment.

09.
arXiv (quant-ph) 2026-06-17

Demultiplexing Generalized Information via Quantum Transmission Lines

arXiv:2606.17894v1 Announce Type: new Abstract: Demultiplexers are the fundamental primitives of network architecture, enabling perfect routing of an input classical signal to a designated one, among multiple output ports. Quantum transmission lines, having access to the quantum systems directly, are able to transmit both the classical and quantum information encoded in quantum systems. A natural question therefore emerges that whether the scrambled classical and quantum information in a quantum system can be perfectly demultiplexed in the designated classical and quantum output ports? Here we answer this question by introducing a quantum to quantum-classical device, namely the quantum demultiplexer (Q-DEMUX). We characterize the class of Q-DEMUXs enabling perfect routing of both the classical and the quantum information along with their simple circuit realizations. Our results highlight an explicit connection between the strength of a Q-DEMUX with the incompatibility of quantum instruments. Finally, we extend the notion in a stronger variant where the sender is oblivious regarding the nature of the data to be transmitted through the Q-DEMUX.

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

The Answer Lies Within: Self-Derived Rewards Enable Explainable Relation Extraction

Despite the remarkable reasoning capabilities of large language models, they still struggle with one-shot relation extraction without predefined relation labels. We identify two pitfalls: models are often misled by irrelevant tokens instead of relation-conveying semantics, and they often fail to align with the abstraction level human annotators expect. We introduce a novel framework that closes this gap with two components: (1) COGRE, a cognitively-inspired reasoning framework that structures RE into a series of processes mimicking human text-processing; and (2) HIT@DICT, a reinforcement learning intermediate reward strategy that encourages reasoning to align with relational labels by rewarding relation-relevant phrases in reasoning. The reward is derived on a credit dictionary automatically extracted from correct predictions. Our experiments show that our framework improves both accuracy and explanation quality by addressing these two pitfalls. For example, COGRE with Qwen2.5-14B-Instruct on One-shot NYT29 achieves 24.65% F1, surpassing prior reasoning-based designs. Optimizing this approach with RL using HIT@DICT further improves performance by +23.46% points. Finally, human evaluation shows that our best model generates relational phrases closely aligned with gold labels, increasing human explanation quality ratings by 54% (relative).

11.
arXiv (CS.CL) 2026-06-18

Phonikud: Overcoming Phonetic Underspecification for Hebrew Text-To-Speech

Text-to-speech (TTS) for Modern Hebrew is challenged by the language's orthographic complexity, with existing solutions ignoring underspecified phonetic features such as stress. We present a framework for more phonetically accurate Hebrew TTS with four contributions: (1) Phonikud, an open-source Hebrew grapheme-to-phoneme (G2P) system that outputs fully-specified International Phonetic Alphabet (IPA) transcriptions, designed by augmenting a base diacritizer. (2) The ILSpeech corpus of paired Hebrew audio, text, and expert IPA annotations. (3) A benchmark for the previously unmeasured task of Hebrew G2P conversion. (4) Hebrew audio-to-IPA models capturing previously disregarded phonetic details for automatic TTS evaluation. Our results show that Phonikud more accurately predicts Hebrew phonemes than prior methods, and that small, local TTS models with phonetic input from Phonikud approach large proprietary systems. We release our code, data, and models at https://phonikud.github.io.

12.
arXiv (math.PR) 2026-06-16

A Concavity Theorem for the Parisi PDE

作者:

arXiv:2606.15432v1 Announce Type: new Abstract: We prove that the map sending the diffusion profile to the solution of a time-changed Parisi PDE evaluated at time-space $(0,0)$ is concave. This result strengthens the raywise concavity result proven by Auffinger and Chen (2016). As an application, for the balanced multispecies Ising spin glasses, the lower bound of Bates and Sohn (2025) matches the Hopf-type upper bound given by the Hamilton–Jacobi framework developed by Mourrat, Chen and Xia.

13.
arXiv (quant-ph) 2026-06-16

Adaptively secure unitary designs with constant non-Clifford cost

arXiv:2510.08129v2 Announce Type: replace Abstract: Randomness is a fundamental resource in quantum information, with crucial applications in cryptography, algorithms, and error correction. A central challenge is to construct unitary $k$-designs that closely approximate Haar-random unitaries while minimizing the costly use of non-Clifford operations. In this work, we present a protocol able to generate unitary $k$-designs on $n$ qubits, secure against any adversarial quantum measurement, with a system-size-independent number of non-Clifford gates. Our construction applies a $k$-design only to a subsystem of size $\Theta(k)$, independent of $n$. This ``seed'' design is then ``diluted'' across the entire $n$-qubit system by sandwiching it between two random Clifford operators. The resulting ensemble forms an $\varepsilon$-approximate unitary $k$-design on $n$ qubits. We prove that this construction achieves full quantum security against adaptive adversaries using only $\tilde{O}(k^2 \log\varepsilon^{-1})$ non-Clifford gates. If one requires security only against polynomial-time adaptive adversaries, the non-Clifford cost decreases to $\tilde{O}(k + \log^{1+c} \varepsilon^{-1})$. This is optimal, since we show that at least $\Omega(k)$ non-Clifford gates are required in this setting. Compared to existing approaches, our method significantly reduces non-Clifford overhead while strengthening security guarantees to adaptive security as well as removing artificial assumptions between $n$ and $k$. These results make high-order unitary designs practically attainable in near-term fault-tolerant quantum architectures.

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

TwinBI: An Agentic Digital Twin for Efficient Augmented Interactions with Business Intelligence Dashboards

arXiv:2606.13731v1 Announce Type: new Abstract: Business intelligence (BI) increasingly combines dashboard interaction with LLM-based assistance, but these two modes often fall out of sync during multi-step analysis. As users switch between direct dashboard manipulation and natural-language queries, it becomes difficult to preserve a consistent analytical state across filters, hierarchies, metrics, and chart context. We present TwinBI, an agentic digital-twin framework that couples an LLM-based agent system with an executable BI dashboard state. TwinBI unifies conversational interaction, dashboard manipulation, semantic grounding, and provenance tracking through a shared analytical state reconstructed from a unified interaction log. It also exposes artifacts such as schema views, SQL, logs, and an /insights command for state-grounded analytical summaries. We evaluate TwinBI in two complementary ways. In a controlled A/B benchmark with the same backbone agent, TwinBI improves exact-match accuracy from 43.3% to 63.3%, partial-credit accuracy from 48.3% to 70.8%, and substantially reduces timeout rate from 40.0% to 10.0% relative to Dashboard alone. In a usability study, participants benefited from the integrated dashboard-and-chat workflow, with high task accuracy, moderate workload, and favorable ratings for state-aware interaction mechanisms. These results suggest that TwinBI improves both agent-level analytical reliability and user-facing analytical support by turning visible dashboard state into richer actionable context. Our dataset and source code are available at: https://github.com/simonjisu/TwinBI

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

iSAGE: A Human-in-the-Loop Framework for Remote Sensing Semantic Segmentation via Sparse Point Supervision

Semantic segmentation in remote sensing requires costly pixel-level annotations, and nearly every problem demands a new dataset since models rarely transfer across sensors, platforms, or geographies. Existing human-in-the-loop frameworks expand sparse clicks into dense supervision via auxiliary machinery (pseudo-labels, propagation, CRFs, foundation-model prompts, auxiliary heads), all operating on the model's predictive distribution. A confidently wrong pixel is indistinguishable from a confidently correct one in that distribution by construction, so no rule reading it can separate the two; the distinguishing signal is external to the model. This paper hypothesizes that expert clicks targeting confident model errors, not arbitrary pixels, suffice to match dense supervision, with no expansion machinery. iSAGE (Iterative Sparse Annotation Guided by Expert) realizes this hypothesis on an integrated open-source platform, where an error-weighted loss amplifies the gradient at each click and the annotation record itself is the dataset, extensible, correctable, and auditable. Experiments use a minimum-effort regime: at most one labeled pixel per class per frame. On BsB Aerial, iSAGE recovers 97.2% of dense supervision (74.79% mIoU on 0.040% of pixels) with contrasting class dynamics: amorphous classes (permeable areas) saturate from the seed, while small classes (cars) require late-iteration effort. On ISPRS Vaihingen (external benchmark), iSAGE reaches 76.78% mIoU with 0.011% of pixels, matching the dense baseline (76.65%) and exceeding all published methods. Under the same pipeline, four output-reading mechanisms (oracle entropy across budgets 1–100x, pseudo-labels across thresholds 0.90–0.99, CRF-based propagation, uniform random) plateau 7.4 to 14.5 pp below iSAGE. Across 31 surveyed methods, iSAGE is the only iterative human-in-the-loop framework operating without auxiliary machinery.

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

Cluster LOCO: Feature Importance For Interpreting Clusters

arXiv:2606.14592v1 Announce Type: cross Abstract: Clustering is widely used for exploratory analysis and scientific discovery, driving insights from market segmentation to biological data analysis, but its outputs can be difficult to interpret, audit, and reproduce as modern datasets become increasingly large and complex. Reliable use of clustering requires understanding which features drive the discovered structure, yet feature-level explanations for clustering remain scarce compared with methods in supervised learning. Furthermore, existing clustering feature importance scores are often tied to specific algorithms and data assumptions. To address these challenges, we propose Cluster LOCO (Leave-One-Covariate-Out), a family of model-agnostic feature importance scores for clustering. Cluster LOCO is built on feature occlusion and clustering generalizability, defined as whether cluster labels learned on one subset of the data can be accurately predicted on held-out samples. For any chosen clustering algorithm, Cluster LOCO quantifies a feature's importance by measuring how much its removal degrades generalizability. We first introduce Cluster LOCO-Split, which relies on data splitting, and then extend it to Cluster LOCO-MP, a minipatch ensemble-based version designed for large-scale data. Across synthetic simulations and an application to cell-type discovery in single-cell transcriptomics, we show that Cluster LOCO more reliably recovers informative features than existing clustering feature importance methods.

17.
arXiv (CS.CV) 2026-06-16

Learning Sparse Latent Predictive Foundation Model for Multimodal Neuroimaging

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

18.
arXiv (CS.AI) 2026-06-19

A Multi-Agent system for Multi-Objective constrained optimization

arXiv:2606.20236v1 Announce Type: new Abstract: Many decision-making problems in computing and networking systems can be naturally formulated as cost-minimization problems under performance constraints. In dynamic environments, reinforcement learning (RL) is often used to solve such problems at runtime by embedding both costs and constraint violations into a single scalar reward through weighted penalty terms, following a Lagrangian-inspired formulation. However, in this context the behavior of the learned policy critically depends on the choice of these weights, which are typically selected manually. This makes it difficult to identify an appropriate trade-off between optimizing the primary objective and effectively avoiding constraint violations, particularly in non-stationary environments where their relative importance may change. This paper presents MAMO (Multi-Agent system for Multi-Objective constrained optimization), an approach to tackle this balancing problem through multi-agent RL. MAMO decouples task execution from objective design by formulating the selection of reward weights as a learning problem, providing a !rst step towards more autonomous and robust RL-based solutions for constrained optimization problems in dynamic environments.

19.
arXiv (CS.AI) 2026-06-16

Honeypot Protocol

作者:

arXiv:2604.13301v1 Announce Type: cross Abstract: Trusted monitoring, the standard defense in AI control, is vulnerable to adaptive attacks, collusion, and strategic attack selection. All of these exploit the fact that monitoring is passive: it observes model behavior but never probes whether the model would behave differently under different perceived conditions. We introduce the honeypot protocol, which tests for context-dependent behavior by varying only the system prompt across three conditions (evaluation, synthetic deployment, explicit no-monitoring) while holding the task, environment, and scoring identical. We evaluate Claude Opus 4.6 in BashArena across all three conditions in both honest and attack modes. The model achieved 100% main task success and triggered zero side tasks uniformly across conditions, providing a baseline for future comparisons with stronger attack policies and additional models.

20.
arXiv (CS.AI) 2026-06-15

Hyperdimensional computing for structured querying on tabular data embeddings

arXiv:2606.13871v1 Announce Type: new Abstract: Tabular data embeddings have become a cornerstone of data profiling and data integration pipelines, enabling tasks such as entity annotation and resolution; schema matching; column type detection; and table search, among others. Existing approaches embed rows, columns, or entire tables into a vector space and rely on nearest-neighbor search to retrieve candidate matches. A fundamental limitation of current embedding methods is the lack of interpretable similarity scores: the concrete similarity value between a query and its nearest neighbour carries no intrinsic meaning, making it impossible to determine whether that neighbour is a true match or simply the least-dissimilar item in a corpus that contains no valid answer. This inability to set principled thresholds for retrieval undermines practical deployment, particularly for zero-match detection. We investigate the use of HyperDimensional Computing (HDC), specifically the Holographic Reduced Representations (HRR) model, as a framework for tabular row embeddings when the retrieval task corresponds to answering structured select-project queries in vector space. Exploiting the algebraic properties of HDC operations, we derive closed-form expected similarity values for both equality and non-equality retrieval predicates, which converge to interpretable values as dimensionality increases, and use these to identify suitable retrieval thresholds. We evaluate HDC against EmbDI, a graph-based baseline, on two real-world datasets across varying table sizes and predicate lengths. Our results show that HDC matches or outperforms EmbDI for row retrieval across all configurations, handles non-equality predicates more robustly, and achieves perfect attribute projection accuracy at sufficient dimensionality – while uniquely enabling reliable identification of zero-match predicates through its principled thresholds.

21.
bioRxiv (Bioinfo) 2026-06-12

The Geometry of Allostery: A Laplacian Minor Hierarchy for Many-Body Protein Communication

Quantifying how cooperative, many-body relationships drive allostery in protein networks remains a major challenge. To address this, we develop the Laplacian minor hierarchy, a mathematical framework that characterizes the geometric invariants of a protein network. Lower-order minors yield standard metrics including the partition function and effective distances, whereas higher-order minors define novel topological measures: cooperation indices, each bounded between zero and one, that characterize pathway correlations at increasing levels of complexity, the third-order minor determines whether allosteric pathways are correlated or uncorrelated, and the fourth-order minor quantifies how distinct pathways communicate through intermediary residues. We apply this framework to analyze the evolutionary adaptation of the PSD95pdz3 domain from Class I to Class II ligand specificity via mutations G330T and H372A. The cooperation index demonstrates a distinct evolutionary hierarchy: the G330T mutation establishes distributed pathway couplings that the H372A mutation subsequently exploits, whereas H372A alone produces minimal global changes. Furthermore, the fourth-order analysis identifies His317 as a critical intermediary node bridging the class-switching (330-372) and class-bridging (330-400) allosteric pathways. These results demonstrate that allosteric dependencies emerge only when mutations accumulate in specific combinations, with a hierarchical organization of pathways structured around position 330 and intermediary nodes His317 and Phe400. Rather than predicting allosteric mechanisms, this framework provides a mechanistic explanation for why and how allostery emerges during protein evolution.

22.
arXiv (CS.CV) 2026-06-16

PURe: A Plug-and-Play Product-Unit Residual Module for Vision Networks

Modern vision networks are dominated by additive local transformations, whereas explicit multiplicative local interactions remain underexplored. Product units offer a direct approach to modeling such interactions, but their use in deep architectures has been limited by optimization instability. In this work, we propose PURe, a Product-Unit Residual Module for deep vision networks. PURe is built around a 2D Product Unit with a real-valued log-domain formulation that makes multiplicative local aggregation practical within deep residual hierarchies. The resulting module serves as a drop-in replacement for native residual units. We instantiate PURe in residual CNNs for image classification and in 2D residual encoder-decoder networks for slice-based segmentation on volumetric CT data. Across Galaxy10 DECaLS, ImageNet, and CIFAR-10, PURe consistently improves residual CNNs and yields a more favorable accuracy-parameter trade-off, allowing moderately deep models to match or surpass substantially deeper ResNet baselines with much smaller parameter budgets. On the AMOS benchmark, PURe also improves slice-based CT segmentation under 3D case-level evaluation. These results show that explicit multiplicative local interaction is a practical and effective design primitive for deep residual vision networks.

23.
PLOS Computational Biology 2026-06-02

PepAnno: A structure-aware deep learning framework for bioactive peptide prediction, structural visualization, and physicochemical profiling

作者:

by Enyan Liu, Yueming Hu, Liya Liu, Yifan Chen, Shilong Zhang, Sida Li, Haoyu Chao, Luyao Xie, Yi Shen, Liangwei Wu, Julio Raúl Fernández Massó, Ming Chen Peptides are gaining prominence as therapeutic candidates due to their diverse physiological functions and structural simplicity. Although multiple computational tools exist for bioactive peptide prediction, many suffer from limitations such as non-intuitive interfaces, sequence-only representations, insufficient structural awareness, restricted interpretability, or fragmented analysis workflows, leading to reduced research efficiency and higher costs. To address these challenges, we present PepAnno (https://bis.zju.edu.cn/pepanno/), a comprehensive and user-friendly web server for multi-functional peptide annotation. PepAnno is powered by a novel structure-aware, multi-view geometric deep learning framework that integrates pre-trained sequence embeddings with predicted 3D structural graphs through a dual-stream architecture combining a Transformer and a GATv2 network. A cross-modal attention mechanism is employed to effectively fuse semantic and geometric representations, enabling accurate multi-task prediction across 7 key bioactivities, including antimicrobial and anticancer properties. Comprehensive evaluation on seven curated bioactivity datasets demonstrates that PepAnno achieves robust and competitive predictive performance across tasks, consistently outperforming or matching existing methods in terms of discrimination and stability. Beyond functional prediction, PepAnno provides automated calculation of physicochemical properties, structure visualization, and access to an integrated repository of peptide-related databases and tools. By enabling one-click peptide annotation, PepAnno offers an efficient and interpretable solution for large-scale peptide analysis and facilitates downstream experimental design and peptide-based drug discovery.

24.
arXiv (CS.LG) 2026-06-19

Optimal Deterministic Multicalibration and Omniprediction

arXiv:2606.20557v1 Announce Type: new Abstract: A model is multicalibrated on a collection of group weights $G$ if it is calibrated – i.e. unbiased even conditional on its prediction – not just overall, but also after reweighting contexts by each $g \in G$. It is a useful property for many downstream applications and is a basic desideratum of trustworthy machine learning. Before this work, all predictors known to attain the minimax-optimal $\widetilde O(\varepsilon^{-3})$ sample complexity rate for $\varepsilon$-multicalibration were randomized, while deterministic predictors were known only with substantially worse sample complexity. Whether randomization is necessary for optimal sample complexity in multicalibration was explicitly asked by [CLNR26] and implicitly in several prior works. We resolve this open problem by giving a minimax-optimal multicalibration algorithm that outputs a deterministic predictor. We then generalize the algorithm to produce optimal deterministic predictors that satisfy outcome indistinguishability (OI) with respect to finite or finitely covered collections of tests. As an application, this also gives deterministic omnipredictors and panpredictors with optimal sample complexity, resolving open problems posed by [OKK25] and [BHHLZ25].

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

APEX: Adaptive Principle EXtraction A Three-Layer Self-Evolution Framework for Production AI Agents

arXiv:2606.15363v1 Announce Type: new Abstract: Self-improvement in AI agents has emerged as a key research frontier: systems that modify their own prompts, workflows, and decision rules based on accumulated operational experience. The state-of-the-art Self-Harness framework [1] achieves 14–21% improvement on Terminal-Bench-2.0 by mining failure clusters and patching the agent harness. However, Self-Harness optimises only one dimension – the prompt harness – leaving behavioural principles and workflow topology unchanged. We propose APEX (Adaptive Principle EXtraction), a three-layer co-evolution framework that simultaneously evolves: (L1) the harness via failure-mode patching, (L2) behavioural principles via success-trace distillation [2], and (L3) the agent workflow topology via structural fitness-based selection [6]. We implement APEX on Joe [13], a production-grade super AI Agent built on NVIDIA Nemotron and designed as an Edge AI Agent Factory for the NVIDIA Agent Challenge 2026, managing a 15-node compute fleet using 114 real task traces collected over 18 days. APEX achieves an APEX Health Score of 0.570 (+90% vs. baseline 0.300) in a single evolutionary run, distilling 6 novel reusable principles and selecting a research-first workflow topology scoring 0.900 (+20%). Our results demonstrate that multi-dimensional co-evolution substantially outperforms single-axis harness optimisation, at a cost of only 4 LLM calls (~270 s) on a local qwen2.5-coder:32b instance.