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01.
arXiv (CS.CV) 2026-06-18

Confidence is Not Reliability: Rethinking MC Dropout in Brain Tumour Segmentation

Glioma segmentation in multiparametric MRI is a critical component of treatment planning. A segmentation model that fails silently on treatment-critical sub-regions represents a patient safety risk that overlap-based metrics such as Dice scores cannot expose. We ask whether voxel-level uncertainty estimation via Monte Carlo (MC) Dropout can reliably identify segmentation errors in clinically critical sub-regions, and whether calibration failure modes are detectable from standard reporting metrics alone. In an empirical two-model case study on 126 BraTS21 patients, we evaluate a high-performance pretrained SegResNet and a locally trained UNet with residual units (UNet-Res). MC dropout preserved segmentation accuracy ($|\Delta Dice|$ $

02.
arXiv (CS.CV) 2026-06-24

Do Foundation Models See Biology? Evaluating Attention Coherence with Spatial Transcriptomics in Glioblastoma

Whether attention maps from pathology foundation models capture genuine biology remains unknown, yet this question is critical for clinical trust and regulatory approval. We propose a spatial transcriptomics-based framework for orthogonal, hypothesis-free evaluation of attention and apply it to five pathology foundation models (CONCH v1.5, UNI v2, Virchow2, GigaPath, H-Optimus-1) and a ResNet50 baseline. Using attention-based multiple instance learning, we train single-task and multi-task models to predict five molecular alterations in glioblastoma on the CPTAC cohort, validate on an independent TCGA cohort, and evaluate biological coherence of attention maps against 87 transcriptional signatures using co-registered Visium spatial transcriptomics data from 18 samples. Internally, no single encoder dominates across all tasks, and external validation inverts internal performance rankings. Attention maps show a five-fold enrichment gradient from pathways (Cohen's d=0.329) to individual genes (d=0.055), indicating that attention captures emergent multi-gene transcriptional programs rather than individual molecular events. Spatially smooth attention maps do not imply biological coherence, and different encoders attend to distinct biological compartments. Our framework provides objective, quantitative assessment of what foundation models learn from histopathology, moving the field beyond qualitative saliency map review.

03.
arXiv (CS.CV) 2026-06-16

Multi-view feature High-order Fusion for Space Weak Object Detection and Segmentation

Weak objects are common in images and videos of space applications. However, it is hard to learn proper representations from their limited appearance information. Inspired by multi-view learning, we develop simple multi-view attentions, treating their outputs as multi-view features. We also propose a multi-view feature high-order fusion method (MHF) to aggregate more accurate and richer features of weak objects. Our MHF extends the commonly used low-order feature fusion method to higher orders. It enhances the model's capacity to capture relevant and complementary information about weak objects. This is achieved by introducing high-order multi-view features perception and a recursive task-contribution gated selection of multi-view features. The new operation is highly flexible and customizable. It is compatible with various variants of multi-view feature representations. We conduct extensive experiments on two newly constructed space science datasets and an open, large-scale satellite video dataset. Our MHF serves as a plug-and-play module and significantly improves various vision transformers and convolution-based detection and segmentation models. We achieve all state-of-the-art accuracies on both tasks across three datasets. Our MHF can be a new basic module for visual modeling that effectively represents weak objects in terms of multi-view learning. The code will be available at https://github.com/Kingdroper/MHF.

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

Rapid FinFET Modelling Using an Autoencoder

arXiv:2606.24046v1 Announce Type: cross Abstract: This work presents a machine learning framework that leverages an autoencoder (AE) for the efficient modeling of FinFET. We first calibrated a BSIM-CMG model to generate a dataset of current-voltage (ID-VG) characteristics. This data was used to train an autoencoder that compresses full I-V curves into a low-dimensional latent space, which intrinsically encodes key device physics. A key innovation is the explicit incorporation of parameter such as drain to source voltage (VDS) as an input feature, enhancing the model ability to capture bias dependent variation. The trained model successfully reconstructs full I-V curves and directly extracts critical device metrics including threshold voltage (VTH), subthreshold slope (SS), and peak transconductance (gm). This approach demonstrates that data driven compact models, built from actual characterization data, can achieve high accuracy with minimal training data, providing a powerful tool for rapid device characterization, modelling and circuit level simulation.

05.
arXiv (CS.AI) 2026-06-18

Mechanism-Guided Selective Unlearning for RLVR-Induced Reasoning

arXiv:2606.19222v1 Announce Type: cross Abstract: We propose MAST (Mechanism-Aligned Selective Targeting), a mechanism-guided method for unlearning RLVR-induced reasoning with substantially lower collateral damage than standard full-parameter updates. In matched SFT/RLVR checkpoints on Qwen2.5-Math-1.5B and Qwen3-1.7B-Base, the SFT-to-RLVR increment differs sharply from the SFT update in token-level delta-log-probability, and full-parameter gradient ascent forgets only by damaging retain MATH and GSM8K. MAST ranks attention-projection tensors by off-principal energy, update magnitude, and forget-gradient coupling magnitude, then updates only the top-ranked subset. On the primary model, MAST induces statistically significant target forgetting (MATH forget 45/150 to 37/150; McNemar p=0.0078) while preserving GSM8K (+0.8 pp) and MATH retain (-0.5 pp). The advantage reproduces across seeds, NPO/SimNPO objectives, and Qwen3, where MAST preserves GSM8K while full-parameter unlearning collapses it.

06.
Nature (Science) 2026-06-17

Revealing competitive interfacial reactions in high-energy Li–S batteries

Authors:

Charge transfer at solid–liquid interfaces plays a critical role in various energy-storage systems1, particularly under dynamically varying reactant concentrations. Deciphering these intricate reaction pathways remains a substantial challenge, notably in lithium–sulfur (Li–S) batteries, in which achieving high energy density requires efficient conversion of highly concentrated lithium polysulfides (LiPSs)2,3. However, the mechanisms governing lithium sulfide (Li2S) deposition and dissolution under lean electrolyte conditions remain poorly understood. Here, using in situ liquid-cell electron microscopy, we directly visualize concentration-driven phase segregation at the electrode–electrolyte interface. Within these high-concentration interfacial layers (HCILs), competitive surface and solution dictate the charge-transfer dynamics and ultimately govern Li2S deposition at different phase boundaries. Density functional theory (DFT) calculations reveal that the aggregation of LiPSs alters molecular geometry, electronic properties and orbital hybridization, collectively facilitating charge transfer through highly concentrated LiPSs clusters. Guided by these insights, we design optimized electrodes that balance interfacial reaction pathways, enabling fast charging (4 C, 26.8 mA cm−2) and achieving high energy densities exceeding 400 Wh kg−1. These findings provide mechanistic understanding of interfacial reactions under practical working conditions and offer a design strategy to advance Li–S batteries. Visualization of concentration-driven phase segregation within high-concentration interfacial layers in the context of high-energy lithium–sulfur batteries using liquid-cell electrochemical transmission electron microscopy reveals competitive interfacial reactions under lean electrolyte conditions at different phase boundaries.

07.
arXiv (quant-ph) 2026-06-16

Quantum Field-Theoretic Predictions of {\Psi}-Epistemic Models of Quantum Mechanics

arXiv:2605.12546v2 Announce Type: replace Abstract: {\Psi}-epistemic models of quantum mechanics imply that the quantum state does not correspond to physical reality, but instead reflects the observer's knowledge of the underlying quantum system. The epistemic view of the quantum state has the potential to shed light on several foundational problems of quantum theory and has attracted considerable attention in the literature. On the other hand, the Pusey-Barrett-Rudolph theorem demonstrated that broad classes of {\psi}-epistemic models must lead to predictions that deviate from those of quantum mechanics. Although the original theorem involved entangled joint measurements on composite systems, alternative no-go theorems involving measurements on single quantum systems were developed shortly thereafter. Experimental investigations of the deviations predicted by {\psi}-epistemic models from quantum mechanics are still ongoing. So far, such tests have been performed within the framework of non-relativistic quantum mechanics and predominantly rely on quantum information based measurement procedures. In this work, we show that {\psi}-epistemic models can give rise to deviations from standard quantum field-theoretic predictions through modifications of polarized scattering cross sections and decay widths. Our results do not require a relativistic formulation of ontological models or of the Harrigan-Spekkens criterion; the essential assumption is merely that measurements implemented through relativistic processes can still be represented within the ontological framework by well-defined response functions and probabilities. The present work constitutes a proof-of-principle study demonstrating that particle physics tests of the ontological status of the quantum state are possible and that {\psi}-epistemic models may exhibit experimentally distinguishable signatures in particle phenomenology.

08.
arXiv (quant-ph) 2026-06-11

A saturation-absorption rubidium magnetometer with multilevel optical Bloch-equation modeling for intermediate-to-high fields

arXiv:2601.09115v2 Announce Type: replace Abstract: We present SASHMAG (Saturated Absorption Spectroscopy High-field MAGnetometer), an atomic sensor designed for precision magnetic-field measurements in the intermediate-to-high field regime ($>0.2\,T$) using Rubidium-87 ($^{87}Rb$). The sensor operates in the hyperfine Paschen-Back regime, where the hyperfine and Zeeman interactions decouple, and utilizes counter-propagating pump-probe configuration in Faraday geometry to resolve isolated, Doppler-free Zeeman transitions. To interpret the resulting spectra in this strongly field-dependent regime, we developed a comprehensive multilevel optical Bloch-equation model solved explicitly in the uncoupled $\ket{m_I, m_J}$ basis, capturing state mixing and nonlinear saturation dynamics. This model reproduces measured spectra at sub-Doppler resolution and is consistent with analytical expectations for power broadening and thermal Doppler scaling. Magnetic field estimation is performed using a physics-constrained optimization routine that infers the magnetic field by minimizing the residual between experimentally extracted line centers and calculated transition frequencies from the field-dependent Hamiltonian. We demonstrate magnetic field retrieval from $0.2\,T$ to $0.4\,T$ with a precision of $\pm 0.0017 \,T$). Furthermore, the validated simulation establishes a foundation for generating synthetic training datasets, paving the way for autonomous, Machine Learning-enhanced magnetometry in applications ranging from MRI to fusion reactors.

09.
medRxiv (Medicine) 2026-06-16

MRMU: A New Paradigm for Mendelian Randomization by Accounting for Measured Covariates and Unmeasured Confounders

Mendelian randomization (MR) is a powerful approach for causal inference, however, its reliability is frequently compromised by unadjusted covariates and unmeasured confounders, such as unmeasured pleiotropy and sample structure. To address these challenges, we introduce MRMU, a novel paradigm for the MR framework. Unlike traditional single-variable or multivariable MR methods, MRMU selects instrumental variables only from the exposure of interest and estimates one exposure effect at a time, while jointly accounting for measured covariates and unmeasured confounders. This design improves the reliability of MR analyses. In simulations and real data, MRMU achieved better type I error control, higher statistical power, and more accurate effect estimation than existing MR methods. Applying to coronary artery disease (CAD), MRMU identified robust cardiometabolic risk factors, including LDL-C, APOB, systolic blood pressure, body mass index, and smoking initiation, with consistent evidence across multiple CAD datasets. In contrast, traits such as HDL-C, height, and educational attainment, which were found to be significant by existing MR methods, were no longer supported by MRMU. MRMU further supported blood pressure-related traits, rather than lipid traits, as the more relevant pathway linking urate to CAD. Finally, by integrating large-scale plasma proteomics data, MRMU identified candidate CAD drug targets beyond established HMGCR- and PCSK9-related pathways, highlighting its utility for therapeutic target prioritization.

10.
arXiv (quant-ph) 2026-06-25

Towards Robust Optimal Measurements Against Noise in Quantum Metrology

arXiv:2606.25638v1 Announce Type: new Abstract: Quantum parameter estimation utilizes quantum mechanical effects to attain higher measurement precision than classical schemes. In practical implementations, however, noise is inevitably present during the measurement process, causing a decrease in precision. Quantifying the impact of noise on different measurements is of considerable significance. Here, we experimentally investigate robust optimal measurements based on the theory of Fisher information measurement noise susceptibility (FI MENOS), which quantifies how susceptible a measurement is to noise. By constructing a polarizing Mach-Zehnder interferometer, we implement phase estimation under controlled noise. Our results indicate that different measurements exhibit distinct sensitivities to noise. To assess the influence of diverse noise types on precision, we further construct an experimental setup capable of introducing various forms of noise. The experimental results affirm that FI MENOS represents the worst-case scenario for estimation precision, enabling us to evaluate the noise immunity of optimal measurements. Our work provides a deeper insight into quantum metrology with noise, marking a notable advancement in quantifying the robustness of quantum estimation schemes against measurement noise effects.

11.
medRxiv (Medicine) 2026-06-22

Level of Physical Activity and ApoE Status - Effects on Alzheimer's Disease and on Mortality

Background: Alzheimer's disease and related dementias (ADRD) affect over 7.2 million Americans aged 65 and older, with the APOE-4 allele representing the strongest known genetic risk factor. Physical activity (PA) has been associated with reduced dementia risk, but its interaction with APOE genotype remains poorly characterized in large, genomically informed cohorts. Methods: We conducted a retrospective cohort analysis using linked genomic, survey, and longitudinal electronic health record data from the VA Million Veteran Program (MVP). Veterans aged

12.
arXiv (CS.AI) 2026-06-17

LLM-Aided Joint Secrecy Precoding and Trajectory for RSMA-Based Heterogeneous UAV Networks

arXiv:2507.17188v3 Announce Type: replace-cross Abstract: This paper investigates secure communications in rate-splitting multiple access (RSMA) enabled heterogeneous UAV networks, where multiple UAVs collaboratively serve ground terminals in the presence of eavesdroppers. By jointly considering secrecy rate maximization and propulsion energy consumption minimization, we formulate a multi-objective optimization problem involving UAV trajectory design, service association, power allocation, and secrecy precoding under mobility, collision-avoidance, service-capacity, and communication constraints. The formulated problem is highly non-convex due to the coupling among UAV trajectories, RSMA transmission variables, and secrecy constraints.To address the resulting non-convex and highly coupled optimization problem, we propose a hierarchical optimization framework. The inner layer uses a semidefinite relaxation (SDR)-based S2DC algorithm combining penalty functions and difference-of-convex (D.C.) programming to solve the secrecy precoding problem with fixed UAV positions. The outer layer introduces a Large Language Model (LLM)-guided heuristic multi-agent reinforcement learning approach (LLM-HeMARL) for trajectory optimization. LLM-HeMARL efficiently incorporates LLM-generated expert heuristic policy, enabling UAVs to learn energy-aware, security-driven trajectories without the inference overhead of real-time LLM calls. The simulation results show that our method outperforms existing baselines in secrecy rate and energy efficiency, with consistent robustness across varying UAV swarm sizes and random seeds.

13.
medRxiv (Medicine) 2026-06-16

Care Delivery Gap framework: a proof-of-concept patient-reported measure of guideline-referenced care-process omissions in sickle cell disease

Abstract Background:Sickle cell disease (SCD) is concentrated in sub-Saharan Africa, where delivery of guideline-referenced care remains challenging. Current evaluation approaches rely largely on access indicators and clinical outcomes, which do not directly measure care delivery. We developed the Care Delivery Gap (CDG) framework, a patient-reported approach for identifying care-process omissions, and conducted a proof-of-concept study to assess feasibility and explore variation across income strata. Methods: We conducted a cross-sectional framework-development study involving a proof-of-concept sample of 52 individuals with SCD or caregivers recruited through clinics and moderated SCD communities across Africa, North America, and Europe between June 2025 and March 2026. The CDG framework assessed patient-reported omissions in specialist involvement, follow-up continuity, cardiovascular screening, and biochemical surveillance. Analyses were descriptive. Results: Substantial multi-domain care-process omissions were identified despite high reported healthcare engagement. Across geographic income strata, cardiovascular screening was reported by 4/35 (11%) LMIC versus 16/17 (94%) HIC participants, and regular follow-up within the preceding 12 months by 14/35 (40%) versus 16/17 (94%), respectively. High CDG scores, representing 1 omissions across three or four domains, occurred in 20/35 (57%) LMIC compared with 1/17 (6%) HIC participants. Similar disparities were observed across specialist review and vitamin B12 surveillance domains. Conclusion: A structured patient-reported framework identified multi-domain omissions in guideline-referenced SCD care, including among individuals reporting healthcare access. The divergence between access indicators and reported care delivery suggests that service contact alone may not reflect care quality. The framework provides a feasible foundation for future process-level quality measurement in high-burden settings.

14.
arXiv (quant-ph) 2026-06-19

Effective Faraday interaction between light and Helium-3 nuclear spins in a multi-pass cell

arXiv:2606.20328v1 Announce Type: new Abstract: Helium-3 nuclear spins form an exceptionally stable quantum system with extremely long coherence time, offering exciting opportunities for quantum technologies. In particular, nuclear spin-squeezed states promise enhanced precision for sensing tasks and tests of new physics. A central challenge for all these applications is the realization of a controllable light-nuclear spin interface. Here we experimentally demonstrate such an interface by exploiting metastability-exchange collisions in a low-pressure helium-3 gas cell at room temperature. A radio-frequency discharge produces a small population of metastable atoms that both enables efficient optical pumping and mediates an effective Faraday interaction between the collective nuclear spin and an optical probe. We quantitatively characterize the strength of this interaction as a function of the nuclear polarization, applied magnetic field, and probe-beam parameters. Moreover, we show that using a multi-pass cell enhances this interaction by effectively increasing the optical depth. Extrapolating to a tenfold increase of the probe power used in the present experiment, we project a measurement-induced squeezing rate of 0.52 s$^{-1}$. Our results provide a practical pathway for optical access to helium-3 nuclear spins and open prospects for generating long-lived, macroscopic nuclear spin-squeezed states for quantum metrology.

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

RoSE: Round-robin Synthetic Data Evaluation for Selecting LLM Generators without Human Test Sets

LLMs are powerful generators of synthetic data, which are used for training smaller, specific models. This is especially valuable for low-resource languages, where human-labelled data is scarce but LLMs can still produce high-quality text. However, LLMs differ in how useful their outputs are for training. Selecting the best LLM as a generator is challenging because extrinsic evaluation requires costly human annotations (which are often unavailable for low-resource languages), while intrinsic metrics correlate poorly with downstream performance. We introduce Round robin Synthetic data Evaluation (RoSE), a proxy metric for selecting the best LLM generator without human test sets. RoSE trains a small model on the outputs of a candidate generator (LLM) and then evaluates it on generated synthetic examples from all other candidate LLMs. The final RoSE score is the mean performance of this small model. Across six LLMs, eleven languages, and three tasks (sentiment, topic, intent), RoSE identifies the optimal generator more often than any other intrinsic heuristics. RoSE outperforms intrinsic heuristics and comes within 0.76 percentage points of the optimal generator baseline. This result is measured in terms of downstream performance, obtained by training a small model on the chosen generator's outputs (optimal vs. proxy metric selected) and evaluating it on human-labelled test data. Additionally, RoSE is the only metric to achieve a positive correlation with performance on human test data.

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

A Quantitative Analysis of Multimodal Biomarkers in Alzheimer's Disease

Despite increasing adoption of multimodal approaches in Alzheimer's Disease (AD) research – aimed at integrating molecular, structural, clinical, and genetic biomarkers to enhance disease characterization – the relationships among these modalities remain poorly understood. A systematic analysis of their dynamic interaction is essential for improving disease modeling, identifying redundant assessments, and reducing patient burden and acquisition costs. In this paper, we present a quantitative analysis of multimodal AD biomarkers by integrating tau-PET, structural MRI, cognitive scores (MMSE and CDR), and APOE4 data from 789 subjects drawn from the ADNI dataset. In our analyses, we (A) quantify cross-modal mutual information and explained variance to assess redundancy and predictive dependencies; (B) examine associations between tau topologies and structural atrophy across brain regions to select informative ROIs; (C) perform a statistical decomposition of the tau-cognition association into atrophy-related and atrophy-independent components; (D) and identify a dominant neurodegenerative trajectory that aligns with cognitive decline. This study provides a systematic characterization of cross-modal relationships, improving the interpretability and selection of biomarkers in AD. Code is publicly available at: https://github.com/antonioscardace/Multimodal-AD.

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

Objective Quality Assessment of Point Clouds Using Multi-scale Implicit Structural Similarity

The unstructured and irregular nature of points poses a significant challenge for accurate point cloud quality assessment (PCQA), particularly in establishing accurate perceptual feature correspondence. To tackle this, we propose the Multi-scale Implicit Structural Similarity Measurement (MS-ISSM). Unlike traditional point-to-point matching, MS-ISSM utilizes radial basis function (RBF) to represent local features continuously, transforming distortion measurement into a comparison of implicit function coefficients. This approach effectively circumvents matching errors inherent in irregular data. Additionally, we propose a ResGrouped-MLP quality assessment network, which robustly maps multi-scale feature differences to perceptual scores. The network architecture departs from traditional flat multi-layer perceptron (MLP) by adopting a grouped encoding strategy integrated with residual blocks and channel-wise attention mechanisms. This hierarchical design allows the model to preserve the distinct physical semantics of luma, chroma, and geometry while adaptively focusing on the most salient distortion features across High, Medium, and Low scales. Experimental results on multiple benchmarks demonstrate that MS-ISSM outperforms state-of-the-art metrics in both reliability and generalization. The source code is available at: https://github.com/ZhangChen2022/MS-ISSM.

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

DriveJudge: Rethinking Autonomous Driving Evaluation with Vision-Language Models

Autonomous driving has shifted towards end-to-end policy learning, where reliable, interpretable policy evaluation is a fundamental challenge as driving quality is highly context-dependent. Commonly used rule-based driving metrics like EPDMS are interpretable but lack context-awareness, while recent VLMbased evaluations are context-aware but limited by ambiguous VLM outputs and weak physical grounding. To evaluate driving in a manner that is both interpretable and context-aware, we introduce DriveJudge. DriveJudge is a driving evaluation agent that combines rule-grounded evaluation with Vision-Language Model (VLM) reasoning and selectively invokes physically-grounded deterministic rule functions after interpreting the environmental context. To train and evaluate DriveJudge, we curate a large-scale dataset of 33,577 challenging driving samples with human annotations on whether the driving behavior is reasonable in the given scenario. With this dataset, we address the underexplored problem of driving metric evaluation, and introduce two human-aligned benchmark tasks: Driving Quality Classification and Trajectory Preference Selection. DriveJudge outperforms EPDMS for driving quality classification by 21.23 AUC, and the recent VLM-based DriveCritic for trajectory preference selection by 6.5%, setting a new standard for interpretable and precise driving evaluation.

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

Agentra: A Supervisable Multi-Agent Framework for Enterprise Intrusion Response

arXiv:2606.18325v1 Announce Type: cross Abstract: Enterprise intrusion response still depends on static playbooks and analyst-driven triage, creating delay between alert generation and containment. We present Agentra, a supervisable multi-agent Intrusion Response System (IRS) framework that converts alerts from IDS, EDR, and XDR platforms into structured incident response plans grounded in MITRE ATT&CK, MITRE D3FEND, and NIST CSF 2.0. Agentra decomposes response reasoning across role-scoped agents, validates proposed plans through a bounded Planner–Validator review loop, screens retrieved threat intelligence through a Moderator security gateway, gates actions through an Action Catalog and risk score, and records decisions in an append-only audit log. We evaluate Agentra against a static OASIS CACAO v2.0 cyber-playbook baseline on a 120-event corpus drawn from ThreatHunter-Playbook, Splunk BOTSv3, and DARPA OpTC. The strongest configuration improves FP-aware IRS F1 from 0.61 to 0.84 and restores the projected harmful-action rate to the static baseline level of 0.0% after Planner-only configurations introduce unsafe overreaction. These results indicate that multi-agent response planning can improve ontology-grounded IRS coverage while preserving analyst approval and auditability.

20.
arXiv (CS.LG) 2026-06-11

Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction

arXiv:2606.11508v1 Announce Type: new Abstract: Accurate prediction of absorption, distribution, metabolism, and excretion (ADME) properties is critical to drug discovery, but remains challenging because ADME endpoints are noisy, interdependent, and often data-limited. We propose a molecular graph-transformer pretraining framework that combines chemistry-specific self-supervision with contrastive mutual information machine learning (cMIM). Our method encodes molecular graphs into latent variables, reconstructs SMILES strings from the graph-derived latent codes, and augments the contrastive objective with domain-specific self-supervised chemistry tasks. Rather than treating these tasks as auxiliary regularizers with separately tuned loss weights, we formulate reconstruction, contrastive discrimination, and chemistry-specific supervision as unit-weighted log-probability factors in a single probabilistic latent-variable objective. For fine-tuning, we propose a multi-task GNN readout architecture with task-specific multilayer perceptron heads, preserving shared representation learning while mitigating negative transfer and improving the modeling of heterogeneous, nonlinear task relationships. Across Biogen, ExpansionRX, and ChEMBL-MT, the resulting Contrastive KERMT pretraining improves over the KERMT baseline by 7.6%, 9.9%, and 9.5% respectively (averaged over significantly-improved endpoints). Adding ADME-adjacent molecules to the pretraining corpus further improves transfer, and the contrastive component sharpens chemically meaningful latent neighborhoods.

21.
arXiv (CS.LG) 2026-06-15

MAD: Manifold Attracted Diffusion

arXiv:2509.24710v3 Announce Type: replace-cross Abstract: Score-based diffusion models are a highly effective method for generating samples from a distribution of images. We consider scenarios where the training data comes from a noisy version of the target distribution, and present an efficiently implementable modification of the inference procedure to generate noiseless samples. Our approach is motivated by the manifold hypothesis, according to which meaningful data is concentrated around some low-dimensional manifold of a high-dimensional ambient space. The central idea is that noise manifests as low magnitude variation in off-manifold directions in contrast to the relevant variation of the desired distribution which is mostly confined to on-manifold directions. We introduce the notion of an extended score and show that, in a simplified setting, it can be used to reduce small variations to zero, while leaving large variations mostly unchanged. We describe how its approximation can be computed efficiently from an approximation to the standard score and demonstrate its efficacy on toy problems, synthetic data, and real data.

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

Equivariant Representation Learning via Class-Pose Decomposition

arXiv:2207.03116v4 Announce Type: replace Abstract: We introduce a general method for learning representations that are equivariant to symmetries of data. Our central idea is to decompose the latent space into an invariant factor and the symmetry group itself. The components semantically correspond to intrinsic data classes and poses respectively. The learner is trained on a loss encouraging equivariance based on supervision from relative symmetry information. The approach is motivated by theoretical results from group theory and guarantees representations that are lossless, interpretable and disentangled. We provide an empirical investigation via experiments involving datasets with a variety of symmetries. Results show that our representations capture the geometry of data and outperform other equivariant representation learning frameworks.

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

Linear algebra at exponential scale via tensor network dimension reduction

arXiv:2606.15350v1 Announce Type: cross Abstract: Many problems in modern scientific computing are challenging because of a curse of dimension, where their mathematical formulation involves objects whose dimension is exponential in the nominal "size" of the problem. Tensor networks can provide a compact representation for exponentially large vectors and matrices that arise in applications, but these representations do not always lead to reliable algorithms. This paper develops and analyzes techniques for randomized dimension reduction of tensor network data. These techniques support a suite of efficient algorithms for provably solving exponential-scale linear algebra problems, including trace estimation and eigenvalue approximation. The paper includes several stylized illustrations from quantum many-body physics with ambient dimension up to $2^{200}$.

24.
arXiv (CS.AI) 2026-06-25

Agentic System as Compressor: Quantifying System Intelligence in Bits

arXiv:2606.25960v1 Announce Type: new Abstract: Large language models are turning from isolated predictors into agentic systems: they call tools, retrieve evidence, obey environment constraints, use verifiers, and complete tasks through search and multi-turn interaction. We adopts an analytical viewpoint based on "compression is intelligence": under a fixed task distribution, interface, and compute budget, a stronger agentic system lets a target object be reconstructed with fewer bits. We operationalize the measure with arithmetic coding, seed coding, and a fallback, and evaluate it in five settings: reversed text, chess moves, protein sequences, retrieval-augmented question answering, and semantic story compression; in all of them agentic components reduce codelength. These small, controlled experiments cover component types typical of real agentic systems, show that codelength can analyze how components, observers, and budgets change residual uncertainty, and offer guidance for evaluating real agent systems.

25.
arXiv (CS.CL) 2026-06-24

Progressive Alignment Objectives for Aligner-Encoder based ASR

Aligner-Encoders are recently proposed seq2seq end-to-end ASR models that replace decoder attention by predicting the uth token directly from the u-th encoder position, so the encoder must learn the alignment internally without cross-attention or a transducer lattice. In practice, this alignment often forms abruptly in the upper layers, making training sensitive and brittle on long utterances. We propose InterAligner, which adds an intermediate Aligner objective so alignment can form progressively across depth, together with an intermediate CTC loss (InterCTC) to stabilize optimization. On LibriSpeech with a 17-layer Conformer, a final-only Aligner reaches 5.0/7.8 WER (test-clean/other). InterCTC improves to 3.4/6.0, and InterAligner further reduces WER to 3.1/5.6 with the largest gains on long utterances.