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

DeXposure-Claw: An Agentic System for DeFi Risk Supervision

Authors:
Aijie Shu↗Bowei Chen↗Wenbin Wu↗Cathy Yi-Hsuan Chen↗Fengxiang He↗

Decentralized finance exposes supervisors to fast-moving, networked credit risks. General-purpose LLM agents fit this setting poorly: they over-read weak evidence and recommend high-stakes interventions, while existing evaluations offer no regulator-aligned way to measure the resulting false alarms. We introduce DeXposure-Claw, a forecast-grounded agentic supervision system that routes LLM decisions through structured evidence: (1) DeXposure-FM, a graph time-series foundation model, forecasts future exposure networks; (2) deterministic monitors and stress scenarios then turn those forecasts into typed alerts, attribution signals, and scenario evidence; and (3) data-health and confidence gates constrain escalation before DeXposure-Claw emits auditable supervisory tickets with rationales. We further develop DeXposure-Bench, a six-axis evaluation harness, whose decision axis scores tickets against a regulator-aligned absolute-loss ground truth and an explicit false-intervention rate. Experiments on five years of weekly real data fully support our system. Code is at https://github.com/EVIEHub/DeXposure-Claw.

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

Tracking Representation Dynamics in Large Language Models with Persistent Homology

Authors:
Naman Malhotra↗Jay Ambadkar↗Abhinav Gupta↗Kushal Kasivel↗Abbas Schwarz↗Kamillo Ferry↗Anthea Monod↗

arXiv:2606.19542v1 Announce Type: new Abstract: Large language models are commonly aligned through supervised fine-tuning, yet little is known about how their internal representations evolve during this process. We study alignment dynamics using persistent homology by tracking the topology of activation spaces throughout fine-tuning. Across four transformer language models ranging from 1B to 7B parameters and three alignment objectives corresponding to helpful, harmless, and mixed training data, we find that the majority of topological reorganization occurs during the earliest stages of training. A dense checkpoint analysis reveals a transient peak in topological activity followed by rapid stabilization. We further show that different alignment objectives induce distinguishable topological trajectories, while instruction-tuned and pretrained models exhibit qualitatively different patterns of evolution. Our results suggest that persistent homology provides a complementary perspective on alignment, revealing representation-level changes that are not apparent from behavioral metrics alone.

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03.
arXiv (quant-ph) 2026-06-12

Optimal classical shadow estimation of unitary channels at Heisenberg limit

Authors:
Entong He↗Zihao Li↗Noam Scully↗Sisi Zhou↗Yuxiang Yang↗

arXiv:2606.13638v1 Announce Type: new Abstract: Full tomography of an unknown quantum evolution is resource-intensive and often unnecessary when the goal is only to predict selected properties. This motivates the study of classical shadow estimation of unitary channels (CSEU), a task in which one queries an unknown $d$-dimensional unitary $U$ and stores classical data that can later be used to predict expectation values $\mathrm{tr}[O \cdot U\rho U^\dagger]$ up to additive error $\varepsilon$ for arbitrary input states $\rho$ and observables $O$. We propose a parallel, non-adaptive CSEU protocol using $\mathcal{O}(d\varepsilon^{-1})$ queries when the input states or observables have constant rank. This achieves Heisenberg scaling with respect to $\varepsilon$ and is query-optimal, as we prove a matching $\Omega(d\varepsilon^{-1})$ lower bound that remains valid even with stronger access to the unknown unitary. Our query-optimal CSEU protocol provides a versatile and powerful tool for quantum learning theory, pushing the performance limits of several fundamental learning tasks, including unitary channel tomography, Hamiltonian learning, boundary-regime quantum channel tomography, Pauli transfer matrix learning, inverse-free amplitude estimation, pure-state property estimation, and shallow-circuit learning. Remarkably, we show that optimal unitary channel tomography can be achieved using only parallel queries, closing the gap between the best achievable efficiency of parallel and sequential tomography protocols. Together, these applications establish our framework as a fundamental tool for learning properties of quantum processes, particularly for certain key tasks that require high precision.

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04.
arXiv (math.PR) 2026-06-17

Spectral recovery of a planted triangle-dense subgraph

Authors:
Sam van der Poel↗Cheng Mao↗Benjamin McKenna↗

arXiv:2606.17604v1 Announce Type: cross Abstract: Given a simple graph on $n$ vertices and a parameter $k$, the triangle-densest-$k$-subgraph problem is known to be computationally hard in the worst case. To circumvent the computational hardness, we study an average-case model where a triangle-dense subgraph on $k$ vertices is planted in an Erdős-Rényi random graph on $n$ vertices. For the recovery of the planted subgraph, we propose a simple spectral algorithm and a semidefinite program, both of which use a graph matrix whose entries are local signed triangle counts. Theoretical guarantees for these algorithms are established through spectral analysis of the graph matrix. Finally, we provide evidence showing a statistical-to-computational gap analogous to that for the planted clique problem. The computational threshold in terms of the subgraph size $k$ is at least $\sqrt{n}$ in the framework of low-degree polynomial algorithms, while the information-theoretic threshold is at most logarithmic in $n$.

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05.
arXiv (quant-ph) 2026-06-15

Universal Speed Limit in a Far-from-Equilibrium Bose Gas: Symmetry and Dynamical Decoherence

Authors:
Jun-Cheng Liang↗Bo Chen↗

arXiv:2605.11895v2 Announce Type: replace-cross Abstract: Predicting universal transport coefficients in far-from-equilibrium quantum systems remains a fundamental challenge. A paradigmatic example is the non-thermal fixed point (NTFP) of isolated Bose gases, where coherence spreads as $\ell^2(t) = C\hbar t/m$ with a universal constant $C$. While the scaling exponent $z=2$ is well established, the amplitude $C$ has remained elusive because the underlying particle cascade $n(k)\sim k^{-4}$ leads to a divergent kinetic energy, threatening the very existence of a constant speed limit. Here we resolve this paradox and present the first analytical, parameter-free prediction of a universal amplitude $C$. A deep interplay between symmetry and dissipation is uncovered. The emergent weak U(1) symmetry at the NTFP enforces a conserved total current, forcing the low-energy phase dynamics to obey a diffusive Langevin equation with noise entering as the divergence of a stochastic current. This structure, combined with dynamical decoherence of high-momentum modes, yields a universal power-law momentum distribution $\tilde{f}(v)\sim(1+v^2)^{-3}$ (with $v=k\ell$) that naturally regularizes the ultraviolet divergence. From this, a parameter-free geometric baseline $C=3$ is obtained, independent of microscopic details. The experimental value $C=3.4(3)$ [Martirosyan et al., Nature 647, 608 (2025)] is then shown to be quantitatively consistent with universal logarithmic corrections arising from a marginally irrelevant coupling at the fixed point. A new paradigm is thus established for predicting transport coefficients in strongly correlated non-equilibrium systems: symmetry constraints determine the low-energy effective theory, dynamical decoherence provides a natural ultraviolet completion, and scaling analysis delivers testable predictions moving beyond scaling exponents to quantitative amplitude prediction.

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

Structure-Preserving Neural Surrogates with Tractable Uncertainty Quantification

Authors:
Handi Zhang↗Adrienne M. Propp↗Brooks Kinch↗Houman Owhadi↗Nathaniel Trask↗

arXiv:2606.11650v1 Announce Type: new Abstract: Recent advances in scientific machine learning provide a means of near-real-time solution to partial differential equations (PDEs), but lack the theoretical underpinnings of conventional simulators that support contemporary verification and validation. In this work, we construct data-driven reduced-order models that serve as structure-preserving, real-time surrogates. Remarkably, the exterior calculus that imposes physical conservation structure also exposes topological structure that we use to build a Gaussian process (GP) representation of uncertainty in state-flux relationships, ultimately yielding a Dirichlet-to-Neumann map for quantities of interest with closed-form expressions for posterior uncertainty. We specifically propose structure-preserving $H(\mathrm{div})$–$L^2$ subspaces of conventional Raviart–Thomas and $dgP_0$ elements prescribed by a lightweight transformer. Reduced-order dynamics consistent with this subspace are learned by posing a conservation law in which a GP describes the fluxes between volumes. This work hinges on a novel interface between mixed FEM spaces and GP regression; when training is posed as the optimal recovery problem (ORP), the resulting GP regression can be written as an optimization problem with equality constraints that impose a conservation structure, amenable to a fast Schur-complement training strategy. The trained model can then be solved in real time with closed-form estimators for boundary fluxes driven by prescribed Dirichlet data. The paper includes RKHS posterior error bounds for linear functionals to support uncertainty quantification, as well as numerical experiments demonstrating the accuracy of the posterior distribution as a surrogate for error estimation.

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

Latent World Recovery for Multimodal Learning with Missing Modalities

Authors:
Hui Wang↗Tianyu Ren↗Joseph Butler↗Christopher Baker↗Karen Rafferty↗Simon McDade↗

arXiv:2606.12362v1 Announce Type: cross Abstract: We study multimodal learning under missing modalities, with particular motivation from bioscience applications in which heterogeneous modalities are often only partially available when decisions need to be made. We propose Latent World Recovery (LWR), a framework built on two key ideas: (i) modality-specific embeddings from different modalities are aligned in a shared latent space, and (ii) a unified representation is constructed by fusing only the embeddings of the modalities that are actually available at both training and inference time. Rather than imputing missing modalities or requiring a fixed modality set, LWR treats each modality as a partial perception of an underlying latent state and performs availability-aware representation learning directly from the observed modalities. This combination of neighbor-based latent alignment and availability-aware modality fusion enables robust multimodal prediction under partial observation, while avoiding error propagation from explicit reconstruction of missing modalities. We evaluate the proposed framework on real-world incomplete multi-omics benchmarks and demonstrate that it provides an effective approach to downstream tasks such as cancer phenotype classification and survival prediction.

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

SHARD: Safe and Helpful Alignment via Self-Reframing Distillation

Authors:
Viswonathan Manoranjan↗Amogh Gupta↗Anvesh Rao Vijjini↗Thomas Hofweber↗Snigdha Chaturvedi↗

Large language models often struggle with sensitive prompts. They may refuse outright, provide generic safety boilerplate, or fail to address the user's legitimate informational needs that can be answered safely. We introduce SHARD, a self-reframing distillation method to improve safe-helpfulness. It first rewrites sensitive prompts to surface benign intent using philosophical guidelines, then reframes its original responses into safe, more helpful ones, and finally fine-tunes the model on its self-reframed responses. Across DNA and the English subset of LINGUASAFE, SHARD improves helpfulness for most model families while preserving safety. It also remains competitive with distillation from a larger teacher model, suggesting that models can internalize safe and helpful behavior elicited from their own. Warning: This paper contains content that may be offensive or harmful.

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09.
arXiv (CS.AI) 2026-06-11

CRUMB: Efficient Prior Fitted Network Inference via Distributionally Matched Context Batching

Authors:
Jamie Heredge↗Mattia J. Villani↗Pranav Deshpande↗Akshay Seshadri↗Niraj Kumar↗

arXiv:2606.11473v1 Announce Type: cross Abstract: Prior-fitted networks (PFNs) are a promising class of tabular foundation models that perform in-context learning, whereby the entire labelled training set is supplied as context, and predictions for test queries are produced in a single forward pass. However, the quadratically scaling self-attention mechanism in many PFN architectures makes inference prohibitive for very large training datasets. We propose CRUMB (Clustered Retrieval Using Minimised-MMD Batching), a three-stage inference wrapper that (i) clusters the test queries, (ii) selects a small, distributionally matched training subset for each cluster by greedily minimising the maximum mean discrepancy (MMD), and (iii) runs exact PFN inference on each reduced-context batch. CRUMB is architecture-agnostic and requires no retraining. On the 51-dataset TabArena benchmark, evaluated across three PFN architectures (TabPFNv2, TabICLv1, TabICLv2), we show that CRUMB outperforms similar state-of-the-art context selection strategies. We also show that CRUMB is resilient to covariate drift, as the MMD-minimisation step naturally helps align the training context distribution to match the current test batch distributions.

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10.
arXiv (CS.AI) 2026-06-17

Physics-Informed Attention Mechanism and Generalization Capability of Deep Learning-Based Grain Growth Evolution Prediction

Authors:
Pungponhavoan Tep↗Marc Bernacki↗

arXiv:2606.17235v1 Announce Type: cross Abstract: Machine Learning (ML) models for grain growth prediction are typically trained on idealized synthetic data, yet practical applications require generalization to conditions outside the training distribution. This study evaluated the Out-Of-Distribution (OOD) generalization capability of the trained model from our previous study across three test cases, including experimental microstructures, microstructures characterized by a bimodal grain size distribution, and abnormal grain growth. To further probe whether physics-informed architectural design could improve robustness under these different conditions, a boundary-masked attention mechanism was proposed specifically for grain growth, constraining attention to grain boundary pixels. Both the baseline and the proposed physics-informed attention model were evaluated without retraining or fine-tuning on the OOD data. Both models successfully generalized to all three test cases, yet the boundary-masked attention mechanism provided substantial improvements, with the most notable gains for microstructures characterized by a bimodal grain size distribution, where Structural Similarity Index Measure (SSIM) improved from \num{0.6221} to \num{0.7609} and mean grain size ($\overline{R}$) error decreased from \operatorname{SI}{8.75}{\percent} to \operatorname{SI}{3.57}{\percent}. The attention heatmap analysis revealed that the boundary-masked attention model learned to concentrate attention on large grain boundaries in a manner consistent with curvature-driven grain growth physics, emerging from training without being explicitly encoded into the architecture. These results indicate that models trained on synthetic data can generalize to diverse OOD conditions without retraining, and that physics-informed attention may improve accuracy when the boundary morphology matches the training domain.

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11.
arXiv (CS.AI) 2026-06-15

Metabolic cost of information processing in Poisson variational autoencoders

Authors:
Hadi Vafaii↗Jacob L. Yates↗

arXiv:2602.13421v2 Announce Type: replace-cross Abstract: Computation in biological systems is fundamentally energy-constrained, yet standard theories of computation treat energy as freely available. Here, we argue that variational free energy minimization under a Poisson assumption offers a principled path toward an energy-aware theory of computation. Our key observation is that the Kullback-Leibler (KL) divergence term in the Poisson free energy objective becomes proportional to the prior firing rates of model neurons, yielding an emergent metabolic cost term that penalizes high baseline activity. This structure couples an abstract information-theoretic quantity – the *coding rate* – to a concrete biophysical variable – the *firing rate* – which enables a trade-off between coding fidelity and energy expenditure. Such a coupling arises naturally in the Poisson variational autoencoder (P-VAE) – a brain-inspired generative model that encodes inputs as discrete spike counts and recovers a spiking form of *sparse coding* as a special case – but is absent from standard Gaussian VAEs. To demonstrate that this metabolic cost structure is unique to the Poisson formulation, we compare the P-VAE against Grelu-VAE, a Gaussian VAE with ReLU rectification applied to latent samples, which controls for the non-negativity constraint. Across a systematic sweep of the KL term weighting coefficient $\beta$ and latent dimensionality, we find that increasing $\beta$ monotonically increases sparsity and reduces average spiking activity in the P-VAE. In contrast, Grelu-VAE representations remain unchanged, confirming that the effect is specific to Poisson statistics rather than a byproduct of non-negative representations. These results establish Poisson variational inference as a promising foundation for a resource-constrained theory of computation.

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

Optimal Spatio-Temporal Decoupling for Bayesian Conformal Prediction

Authors:
Yu-Hsueh Fang↗Chia-Yen Lee↗

arXiv:2605.00432v2 Announce Type: replace Abstract: Online conformal prediction must balance fast adaptation to distribution shift against stable coverage: feedback-driven methods react quickly but become volatile, while strongly discounted Bayesian methods lag and inflate intervals at tight coverage. We introduce State-Adaptive Bayesian Conformal Prediction (SA-BCP), which forms the predictive quantile as a gated convex combination of long-term temporal inertia and local spatial evidence from a kernel density estimate, controlled by a single interpretable evidence threshold $K$. We establish three results: (i) asymptotic marginal validity of the resulting intervals; (ii) a closed-form expression for the MSE-optimal threshold, $K^*_{\mathrm{MSE}}=\alpha(1-\alpha)/M^{\mathcal{T}}$, trading the coverage-indicator (Bernoulli) variance against the temporal structural bias $M^{\mathcal{T}}$; and (iii) a rolling-origin procedure for selecting $K$ online – consistent under stationarity, with $O(\sqrt{T\log N})$ regret against the best fixed $K$ and, for a segmented variant, a sublinear dynamic-regret bound under bounded drift. Across four financial-volatility and weather datasets, three target coverage levels, and eight baselines (including the strongest recent conditional-quantile methods, SPCI and KOWCPI), SA-BCP attains at-or-above-nominal coverage in most settings while producing substantially sharper intervals – up to roughly $3\times$ lower Winkler score than discounted Bayesian CP at the tightest coverage – and a coverage-matched audit confirms these efficiency gains are not an artifact of under-coverage. We disclose one principal limitation: a volatility-specialized conformal-GARCH competitor remains more efficient on its home volatility-base series, though it does not transfer across domains.

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13.
bioRxiv (Bioinfo) 2026-06-13

Reinforcement learning-driven unified generative framework for multi-objective RNA codon design

Authors:
Lin↗Tan↗Wang↗Zhu↗Xiong↗

Current RNA codon design methods are limited by inefficient long-sequence processing and poor generalizability, often relying on a decoupled "generate-or-optimize" paradigm. We introduce RNARL, a reinforcement learning-driven framework that unifies sequence generation with multi-objective optimization. RNARL directly learns to generate high-performance sequences, effectively optimizing sequences over 3,900 nucleotides and demonstrating superior performance and universality across six species and five RNA types. RNARL thus establishes an effective and generalizable framework for RNA codon design. Finally, a user-friendly web platform is freely available to facilitate its application for RNA therapeutic design.

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14.
arXiv (CS.CL) 2026-06-19

NAMESAKES: Probing Identity Memorization in Text-to-Image Models

Authors:
Morris Alper↗Vasudha Varadarajan↗Moran Yanuka↗Angelina Wang↗Hadar Averbuch-Elor↗

Text-to-image (T2I) models generate realistic likenesses of some individuals when prompted with their names, raising privacy concerns. However, distinguishing whether a generated face is memorized or fabricated currently requires ground-truth photos, access to training data, or white-box access to model internals, limiting applicability. We introduce a fully black-box behavioral probe that distinguishes between these regimes while requiring no reference photos or prior knowledge of training data. To benchmark this task, we present the NAMESAKES dataset of over one thousand names and faces of public figures spanning a wide range of fame levels, along with perturbed, less famous names. Experiments on state-of-the-art T2I models show that our probe substantially predicts identity memorization and separates memorized from unrecognized names, with further insights into differences across model families.

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

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

Authors:
Jianli Dai↗Guangwei Wu↗Jiacheng Li↗Weiping Wang↗An He↗Xinjun Xiao↗

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.

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16.
Nature (Science) 2026-06-15

Daily briefing: Iron-Age human bones were made into tools before interment

Authors:
Flora Graham↗

Newly uncovered bones hint at how Iron Age Britons treated their dead. Plus, AI models have failed to beat human mathematicians at research-level problems and the everyday items that make great scientific tools. Newly uncovered bones hint at how Iron Age Britons treated their dead. Plus, AI models have failed to beat human mathematicians at research-level problems and the everyday items that make great scientific tools.

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

Clustering and Pruning in Causal Data Fusion

Authors:
Otto Tabell↗Santtu Tikka↗Juha Karvanen↗

arXiv:2505.15215v3 Announce Type: replace-cross Abstract: Data fusion, the process of combining observational and experimental data, can enable the identification of causal effects that would otherwise remain non-identifiable. Although identification algorithms have been developed for specific scenarios, do-calculus remains the only general-purpose tool for causal data fusion, particularly when variables are present in some data sources but not others. However, approaches based on do-calculus may encounter computational challenges as the number of variables increases and the causal graph grows in complexity. Consequently, there exists a need to reduce the size of such models while preserving the essential features. For this purpose, we propose pruning (removing unnecessary variables) and clustering (combining variables) as preprocessing operations for causal data fusion. We generalize earlier results on a single data source and derive conditions for applying pruning and clustering in the case of multiple data sources. We give sufficient conditions for inferring the identifiability or non-identifiability of a causal effect in a larger graph based on a smaller graph and show how to obtain the corresponding identifying functional for identifiable causal effects. Examples from epidemiology and social science demonstrate the use of the results.

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18.
arXiv (CS.CL) 2026-06-16

From Argument Components to Graphs: A Multi-Agent Debate with Confidence Gating for Argument Relations

Authors:
Jakub B\k{a}ba↗Jaros{\l}aw A. Chudziak↗

Large Language Models (LLMs) are increasingly assessed and utilized in the field of Argument Mining (AM), thanks to their strong general reasoning capabilities. However, standard training-free models often miss sophisticated details, specifically in contexts where two parts of the text have to be analyzed together. Furthermore, self-correction mechanisms tend to reinforce initial hallucinations in reasoning. Overcoming these limitations typically requires expensive, domain-specific supervised fine-tuning. Recent work has shown that a multi-agent paradigm can address such weaknesses for the component classification task through dialectical refinement with a Proponent-Opponent-Judge architecture, setting a promising direction for training-free approaches in the field. In this paper, we extend and evaluate this framework on the Argument Relation Identification and Classification (ARIC) task, reformulating it as a debate over component pairs. Besides that, we introduce a confidence gating mechanism that enables debating only on the uncertain cases and accepting the initial prediction when confidence is high. On the UKP Argument Annotated Essays v2 corpus, we demonstrate that the selective debate achieves the highest Macro F1 among all training-free methods, while debate over all samples degrades performance below that of one of the baselines. All generative approaches also outperform fine-tuned RoBERTa models on Macro F1, suggesting that the under-representation of the Attack class was more damaging to supervised fine-tuning than to inference-only models. Additionally, our framework produces human-readable debate transcripts, offering interpretability absent from both single-agent and supervised classifiers.

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19.
bioRxiv (Bioinfo) 2026-06-20

SAbDab2: The structural antibody database in the age of machine learning

Authors:
Capel↗H. L↗Vavourakis↗Williams↗B. H↗Taylor↗C. R↗Deane↗C. M↗

The Structural Antibody Database (SAbDab) is a publicly available repository of experimentally determined antibody structures, first released in 2013. Explicit support for single-domain antibodies was added in 2021, with SAbDab-nano. Recently, increasing interest in antibodies has led to a proliferation of novel antibody formats, while simultaneous advances in machine learning have increased demand for standardised, high-quality structure data. Here, we present SAbDab2, re-engineered for the machine-learning age. It introduces support for a variety of new formats, and makes it easy to retrieve and compare all known structures of a given antibody. In addition, SAbDab2 provides ready access to ML-grade structures of antibody and antibody–antigen-complexes, with standardised, versioned train/test splits. These will be updated every six months going forward, and are available at https://zenodo.org/records/20083995. SAbDab2 itself is updated weekly and is freely available at https://sabdab2.opig.stats.ox.ac.uk.

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21.
arXiv (CS.LG) 2026-06-11

GLACIER: A Multimodal Student-Teacher Foundation Model for Molecular Property Prediction

Authors:
Emily Nguyen↗Yongchan Hong↗Harsh Toshniwal↗Yan Liu↗Andreas Luttens↗

arXiv:2606.11382v1 Announce Type: new Abstract: Deep learning models facilitate the discovery of molecules with tailored properties among billions of candidate compounds. However, the computational burden to develop and deploy state-of-the-art models continuously increases, limiting their scalability. Most large-scale models are unimodal in nature and overlook the potential to leverage complementary molecular data modalities. To address these shortcomings, this paper introduces the Graph-Language Alignment for Chemical Inference and Exploration using Representations (GLACIER) model, a student-teacher framework that integrates molecular graphs, SMILES strings, and physicochemical descriptors to learn rich molecular embeddings. Our framework consists of three stages: (1) we pretrain three student encoders on 100,000 drug-like molecules: a message-passing neural network for molecular graphs, a transformer-based encoder for SMILES strings, and a multilayer perceptron for physicochemical descriptors, (2) we fuse these student modalities using a novel Finsler geometry-aware module, and (3) distill complementary knowledge from large teacher models, including MiniMol and MolFormer, into a single lightweight model via contrastive learning. We demonstrate that GLACIER is a robust framework that delivers high predictive performance and computational efficiency in complex molecular property prediction tasks. Our code is publicly available at https://github.com/eemokey/glacier.

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22.
arXiv (CS.CV) 2026-06-11

FreqKD: Frequency-Decoupled Cross-Modal Knowledge Distillation for Infrared Object Detection

Authors:
Keval Thaker↗Venkatraman Narayanan↗Abdalmalek Aburaddaha↗Samir A. Rawashdeh↗

Transfer learning from large-scale RGB foundation models to infrared (IR) imagery through knowledge distillation (KD) remains challenging due to fundamental differences in image formation physics. We investigate the spectral structure of the RGB–IR modality gap and observe that feature divergence is not uniform across spatial frequencies: low-frequency components (shape, layout) show greater cross-modal alignment than high-frequency components (texture, fine edges), which reflect modality-specific characteristics. Based on this analysis, we propose FreqKD, a frequency-decoupled distillation framework that applies asymmetric supervision adapted to each band's cross-modal consistency. The method employs strict mean squared error (MSE) on the low-frequency band to preserve shared structural information and a relaxed log-MSE loss (weighted at 0.1) on the high-frequency band to provide edge guidance while tolerating texture differences. Spectral divergence analysis on 500 paired samples shows that high-frequency divergence exceeds low-frequency divergence by a factor of 2.4x on average across all analysed transformer layers. On KAIST multispectral pedestrian detection, FreqKD achieves 64.1 mAP50, improving 2.4 points over the DINOv2 baseline. The learned representation transfers across datasets (FLIR ADAS, +2.1 mAP50), tasks (MFNet segmentation, +1.85 mean intersection-over-union), and architectures (ResNet-50, +1.0 mAP50). Code is available at: https://anonymous.4open.science/r/freq_decoupled_kd-5E5A

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23.
arXiv (CS.LG) 2026-06-11

Program Evaluation with Remotely Sensed Outcomes

Authors:
Ashesh Rambachan↗Rahul Singh↗Davide Viviano↗

arXiv:2411.10959v5 Announce Type: replace-cross Abstract: We study causal inference in experiments and quasi-experiments, where the economic outcome is imperfectly measured by a remotely sensed variable. The remotely sensed variable is low-cost, scalable, and predictive of the economic outcome in observational data; examples include satellite imagery and mobile phone activity. We model the remotely sensed variable as post-outcome: variation in the economic outcome causes variation in the remotely sensed variable. For example, changes in environmental quality cause changes in satellite imagery, not vice versa. Under this assumption, we propose a formula to nonparametrically identify the causal parameter by combining experimental and observational data. We develop a method for n^{-1/2} inference that is robust to misspecification and that does not restrict the algorithms used to process remotely sensed variables.

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24.
medRxiv (Medicine) 2026-06-10

Developmental Associations Linking Childhood Trauma and Early Cannabis Use to Adolescent DNA Methylation and Psychotic-Like Experiences

Authors:
Trotta↗Liu↗Austin-Zimmerman↗Spinazzola↗Sideli↗Aas↗Rodriguez↗Li↗Leung↗B. M↗Zhang↗Sham↗…

Background. Psychotic-like experiences (PLEs) index early risk for psychotic disorders and are consistently associated with childhood trauma, yet underlying biological mechanisms remain poorly understood. DNA methylation (DNAm) may capture the biological embedding of early adversity, while adolescent exposures such as cannabis use may modify these processes. We examined epigenome-wide associations of childhood trauma and PLEs, tested the moderating role of early cannabis use, and evaluated DNAm as a potential mediator. Methods. We analysed data from the Avon Longitudinal Study of Parents and Children (ALSPAC), a UK population-based birth cohort. Childhood trauma was assessed prospectively and retrospectively. Epigenome-wide DNAm was measured in peripheral blood at ~17 years using the Illumina 450K array, and PLEs were assessed at 18 using a structured interview. Epigenome-wide association studies were conducted for trauma-DNAm and DNAm-PLEs associations in the final sample (n = 1,457), adjusting for demographic, biological, and technical covariates. Differentially methylated regions (DMRs) were identified using DMRff, followed by functional enrichment analyses. Cannabis use at 15.5 was modelled as a moderator with multiple imputation for missing data. Mediation was tested using the Divide-Aggregate Composite-null Test (DACT). Results. Childhood trauma was associated with widespread DNAm differences, primarily at the regional level, with enrichment in pathways related to cellular stress responses. In contrast, DNAm associated with PLEs was more limited and implicated loci involved in epigenetic regulatory processes. These signatures were largely distinct, and there was no evidence supporting mediation after multiple testing correction. Incorporating cannabis use altered the pattern and extent of DNAm associations, with stronger and more significant signals observed at both CpG and regional levels, although these did not translate into evidence of mediation. Conclusion. Childhood trauma and PLEs show distinct DNAm signatures in adolescence, with trauma-related DNAm reflecting broad stress-related processes and PLE-associated DNAm implicating regulatory mechanisms. We found little evidence that DNAm mediates the trauma-PLE association. Instead, adolescent exposures, particularly cannabis use, may distinctly influence trauma-related epigenetic variation with limited detectable downstream effects on PLEs. These findings support a context-dependent model of epigenetic risk and highlight the need for larger longitudinal studies to clarify causal pathways linking early adversity to psychosis.

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