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

SAERec: Constructing Fine-grained Interpretable Intents Priors via Sparse Autoencoders for Recommendation

arXiv:2606.18897v1 Announce Type: cross Abstract: Intent-based recommender systems have gained significant attention for improving accuracy and interpretability by modeling the underlying motivations behind user behaviors. Most existing models derive intents directly from user sequences via clustering or prototype learning. However, they are sensitive to sequence quality, require presetting the number of intents, and lack explicit semantic grounding. These issues lead to an incomplete and coarse intent set and limit the effectiveness of recommendation. In this paper, we propose the Sparse Autoencoder for intent-based recommendation (SAERec), a novel recommender that automatically constructs a fine-grained and interpretable intent space from a textual corpus to guide recommendation. Rather than treating texts as side signals, SAERec leverages them as high information density evidence for intent construction. Specifically, we first extract a comprehensive set of fine-grained interpretable intents from the latent space of large language models (LLMs) by using a sparse autoencoder (SAE) to disentangle and interpret text embeddings, which isolates intent-related semantics from textual noise. Then, for each user, we retrieve relevant intents from this set as priors to guide recommendation. It contains personal intents matching a user's current interests and public intents capturing general item patterns shared across users (e.g., quality, price). Finally, to integrate retrieved intents into sequence modeling, we propose a multi-branch attention mechanism that captures temporal dependencies and injects both personal and public intent signals, followed by an adaptive fusion layer to construct the final user representation for recommendation. Extensive experiments on public datasets demonstrate the superiority of SAERec, consistently outperforming state-of-the-art baselines while providing human-understandable explanations.

02.
arXiv (CS.LG) 2026-06-17

Variational autoencoders with latent high-dimensional steady geometric flows for dynamics

Authors:

arXiv:2410.10137v5 Announce Type: replace Abstract: We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework such that manifold geometries, subject to our geometric flow, embedded in Euclidean space are learned in the intermediary latent space developed by encoders and decoders. By tailoring the geometric flow in which the latent space evolves, we induce latent geometric properties of our choosing, which are reflected in empirical performance. We reformulate the traditional evidence lower bound (ELBO) loss with a considerate choice of prior. We develop a linear geometric flow with a steady-state regularizing term. This flow requires only automatic differentiation of one time derivative, and can be solved in moderately high dimensions in a physics-informed approach, allowing more expressive latent representations. We discuss how this flow can be formulated as a gradient flow, and maintains entropy away from metric singularity. This, along with an eigenvalue penalization condition, helps ensure the manifold is sufficiently large in measure, nondegenerate, and a canonical geometry, which contribute to a robust representation. Our methods focus on the modified multi-layer perceptron architecture with tanh activations for the manifold encoder-decoder. We demonstrate, on our datasets of interest, our methods perform at least as well as the traditional VAE, and oftentimes better. Our methods can outperform this and a VAE endowed with our proposed architecture, frequently reducing out-of-distribution (OOD) error between 15% to 35% on select datasets. We highlight our method on ambient PDEs whose solutions maintain minimal variation in late times. We provide empirical justification towards how we can improve robust learning for external dynamics with VAEs.

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

Phishing Email Detection Using Large Language Models

arXiv:2512.10104v2 Announce Type: cross Abstract: Email phishing is one of the most prevalent and globally consequential vectors of cyber intrusion. As systems increasingly deploy Large Language Models (LLMs) applications, these systems face evolving phishing email threats that exploit their fundamental architectures. Current LLMs require substantial hardening before deployment in email security systems, particularly against coordinated multi-vector attacks that exploit architectural vulnerabilities. This paper proposes LLMPEA, an LLM-based framework to detect phishing email attacks across multiple attack vectors, including prompt injection, text refinement, and multilingual attacks. We evaluate three frontier LLMs (e.g., GPT-4o, Claude Sonnet 4, and Grok-3) and comprehensive prompting design to assess their feasibility, robustness, and limitations against phishing email attacks. Our empirical analysis reveals that LLMs can detect the phishing email over 90% accuracy while we also highlight that LLM-based phishing email detection systems could be exploited by adversarial attack, prompt injection, and multilingual attacks. Our findings provide critical insights for LLM-based phishing detection in real-world settings where attackers exploit multiple vulnerabilities in combination.

04.
arXiv (CS.CV) 2026-06-12

Learning Visually Interpretable Oscillator Networks for Soft Continuum Robots from Video

Learning soft continuum robot (SCR) dynamics from video offers flexibility but existing methods lack interpretability or rely on prior assumptions. Model-based approaches require prior knowledge and manual design. We bridge this gap by introducing: (1) The Attention Broadcast Decoder (ABCD), a plug-and-play module for autoencoder-based latent dynamics learning that generates pixel-accurate attention maps localizing each latent dimension's contribution while filtering static backgrounds, enabling visual interpretability via spatially grounded latents and on-image overlays. (2) Visual Oscillator Networks (VONs), a 2D latent oscillator network coupled to ABCD attention maps for on-image visualization of learned masses, coupling stiffness, and forces, thereby enabling mechanical interpretability. We validate our approach on single- and double-segment SCRs, demonstrating that ABCD-based models significantly improve multi-step prediction accuracy with 5.8x error reduction for Koopman operators and 3.5x for oscillator networks on a two-segment robot. VONs autonomously discover a chain structure of oscillators. This fully data-driven approach yields compact, mechanically interpretable models with potential relevance for future control applications.

05.
arXiv (CS.AI) 2026-06-11

Inside the Latent Flow: Causal Deciphering of Attention Dynamics in Audio Separation Foundation Models

arXiv:2606.10046v2 Announce Type: replace-cross Abstract: Flow-matching transformers achieve strong audio separation, yet their attention dynamics are opaque. We adapt established causal-intervention principles into a deterministic, inference-time probing protocol for SAM Audio. Orthogonal probing uncovers a dual-pathway text-conditioning mechanism: additive injections control semantic identity, while cross-attention refines acoustic structure. We observe an asynchronous layerwise convergence: stable layers build temporal scaffolds early, whereas fast layers continue resolving artifacts during sampling. The model also attenuates temporal segmentation cues to maintain continuous-flow stability. Using these insights, we propose Layer-Selective Attention Caching (LSAC), a training-free acceleration method that caches attention in stable layers. Across acoustic complexities, LSAC cuts self-attention computation by about ~25% with negligible quality loss and yields up to 6.7x higher quality retention than naive step reduction.

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

TriAdReview: Triangular Adversarial Review Architecture for Multi-Model Technical Document Generation

arXiv:2606.15074v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly used for technical document generation, yet single-model outputs often suffer from over-engineering, security blind spots, and incomplete coverage. We propose TriAdReview, a triangular adversarial review architecture that employs two independent reviewer models (engineering and boundary perspectives) and a triangular judging mechanism to iteratively improve a generator model's output. We evaluate TriAdReview across five benchmark tasks - architecture design, code generation, proposal review, security audit, and requirements analysis - using three configurations: single model (baseline), dual model (single review), and triple model (full system). Results across 75 experiments (n=5 per cell) show that the triple model configuration achieves a 10.1% overall improvement over the single model baseline (26.2 vs. 23.8 out of 50; p

07.
arXiv (CS.AI) 2026-06-18

From Memorization to Creation: Evaluating the Cognitive Depth of LLM-Generated Educational Questions

arXiv:2606.18257v1 Announce Type: cross Abstract: While LLMs show promise in automating educational content creation, their ability to generate questions that stimulate higher-order thinking remains understudied. This work evaluates six widely-used LLMs through a Bloom's Taxonomy lens, focusing on their capacity to transcend rote memorization and achieve cognitive leaps. Using a hybrid human–AI evaluation protocol, we generate and analyze 20{,}700 questions across computer science, K–12 math, and social-science domains. Key contributions include: (1) a fine-grained prompting strategy that reduces question repetitiveness by 24.45\% for Qwen2.5-7B-Instruct, and increases the proportion of higher-order cognitive level outputs by 11.53\% for InternLM3-8B-Instruct; (2) quantitative metrics for cognitive shift intensity (CogShift) and category drift, revealing InternLM3's superior performance in multi-level transitions; (3) an interpretability analysis revealing metric-level correlations that enhance the transparency of Chain-of-Thought prompting. Our findings highlight the importance of cognitive-aware prompt design and provide benchmarks for deploying LLMs in personalized learning systems.

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

Virtual Speech Therapist: A Clinician-in-the-Loop AI Speech Therapy Agent for Personalized and Supervised Therapy

This paper develops Virtual Speech Therapist (VST), an intelligent agent-based platform that streamlines stuttering assessment and delivers customized therapy planning through automated and adaptive AI-driven workflows. VST integrates state-of-the-art deep learning-based stuttering classification, and multi-agent large language model (LLM) reasoning to support evidence-based clinical decision-making. The VST begins with the acquisition and feature extraction of patient speech samples, followed by robust classification of stuttering types. Building on these outputs, VST initiates an agentic reasoning process in which specialized LLM agents autonomously generate, critique, and iteratively refine individualized therapy plans. A dedicated critic agent evaluates all generated therapy plans to ensure clinical safety, methodological soundness, and alignment with peer-reviewed evidence and established professional guidelines. The resulting output is a comprehensive, patient-specific therapy draft intended for clinician review. Incorporating clinician feedback, the system then produces a finalized therapy plan suitable for patient delivery, thereby maintaining a clinician-in-the-loop paradigm. Experimental evaluation by expert speech therapists confirms that VST consistently generates high-quality, evidence-based therapy recommendations. These findings demonstrate the system's potential to augment clinical workflows, reduce clinician burden, and improve therapeutic outcomes for individuals with speech impairments. An interactive user interface for the proposed system is available online at: https://vocametrix.com/ai/stuttering-therapy-planning-agent , facilitating real-time stuttering assessment and personalized therapy planning.

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

Prediction-Powered Risk Monitoring of Deployed Models for Detecting Harmful Distribution Shifts

arXiv:2602.02229v2 Announce Type: replace Abstract: We study the problem of monitoring model performance in dynamic environments where labeled data are limited. To this end, we propose prediction-powered risk monitoring (PPRM), a semi-supervised risk-monitoring approach based on prediction-powered inference (PPI). PPRM constructs anytime-valid lower bounds on the running risk by combining synthetic labels with a small set of true labels. Harmful shifts are detected via a threshold-based comparison with an upper bound on the nominal risk, satisfying assumption-free finite-sample guarantees on the type-I error. We demonstrate the effectiveness of PPRM through extensive experiments on image classification, large language model (LLM), and telecommunications monitoring tasks.

10.
arXiv (math.PR) 2026-06-16

A tree-free approach to 3D Yang-Mills Langevin dynamic. Analytic estimates and the existence of a model for a regularity structure

arXiv:2605.14616v2 Announce Type: replace Abstract: Using the multi-index approach to regularity structures due to F. Otto et al., we construct a regularity structure and a model for it associated to the stochastic Langevin equation for the 3D Euclidean Yang-Mills functional. For the model we also obtain global stochastic and global pointwise weighted Besov type estimates which hold almost surely. The model is defined as a limit of a sequence of smooth models introduced with the help of a mollified noise. When the mollification is removed the sequence converges in a certain topology defined with the help of the stochastic estimates. To obtain these results we develop the multi-index approach for systems of equations with vector-valued white noises. This project is motivated by the problem for constructing 3D Euclidean Yang-Mills measure and by the earlier results of the author on the related problem of canonical quantization of the Yang-Mills field on the Minkowski space.

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

iTryOn: Mastering Interactive Video Virtual Try-On with Spatial-Semantic Guidance

Video Virtual Try-On (VVT) aims to seamlessly replace a garment on a person in a video with a new one. While existing methods have made significant strides in maintaining temporal consistency, they are predominantly confined to non-interactive scenarios where models merely showcase garments. This limitation overlooks a crucial aspect of real-world apparel presentation: active human-garment interaction. To bridge this gap, we introduce and formalize a new challenging task: Interactive Video Virtual Try-On (Interactive VVT), where subjects in the video actively engage with their clothing. This task introduces unique challenges beyond simple texture preservation, including: (1) resolving the semantic ambiguity of interactions from standard pose information, and (2) learning complex garment deformations from video where interactive moments are sparse and brief. To address these challenges, we propose iTryOn, a novel framework built upon a large-scale video diffusion Transformer. iTryOn pioneers a multi-level interaction injection mechanism to guide the generation of complex dynamics. At the spatial level, we introduce a garment-agnostic 3D hand prior to provide fine-grained guidance for precise hand-garment contact, effectively resolving spatial ambiguity. At the semantic level, iTryOn leverages global captions for overall context and time-stamped action captions for localized interactions, synchronized via our novel Action-aware Rotational Position Embedding (A-RoPE). Extensive experiments demonstrate that iTryOn not only achieves state-of-the-art performance on traditional VVT benchmarks but also establishes a commanding lead in the new interactive setting, marking a significant step towards more dynamic and controllable virtual try-on experiences.

12.
arXiv (CS.CV) 2026-06-16

LUCID: Learned Undersampling-Adaptive Consistency-Guided Inference with Deterministic Flow Matching for Sparse-View CT Reconstruction

Sparse-view CT reduces radiation dose and scanning time by acquiring fewer projection views, but angular undersampling makes reconstruction severely ill-posed, causing streak artifacts, structural blurring, and loss of fine details. Existing supervised methods are often tied to specific sampling settings, whereas generative methods may introduce anatomically inconsistent hallucination-like structures under severe undersampling. We propose Lucid, a sparsity-adaptive, consistency-guided reconstruction framework based on a Flow Matching generative prior for sparse-view CT. Lucid is trained only on high-quality CT images to learn a continuous transport between a Gaussian distribution and the high-quality CT image distribution, independent of view sampling. During inference, the sampling sparsity level is explicitly incorporated to adapt the generative trajectory of a single pretrained model. Specifically, Lucid constructs a degradation-matched initial state by sparsity-weighted fusion of the sparse-view FBP image and Gaussian noise, performs sparsity-modulated Flow Matching updates, and applies projection-domain data-consistency correction after each prior update. Experiments under multiple sparse-view settings show that Lucid achieves stable reconstruction performance across different sampling densities, improves image quality and structural fidelity, and reduces the risk of hallucination-like structures in generative sparse-view CT reconstruction.

13.
arXiv (CS.CV) 2026-06-18

Geometry-Aware Dataset Condensation for Diffusion Model Training

Dataset condensation aims to construct compact datasets from real data via synthesis or selection. However, existing approaches are ill-suited for diffusion model training: synthetic data generation often yields low-fidelity samples unsuitable for authentic modeling, while real subset selection typically fails to preserve the distributional geometry required by diffusion likelihood objectives. To address this, we propose to reformulate real subset selection as a geometry-aware distribution alignment problem. By incorporating one-sided partial optimal transport, our method selectively aligns a compact subset with the full data distribution while allowing unmatched mass in low-density regions, ensuring the preserved geometric structure necessary for effective diffusion model training. To further ensure distributional fidelity, we complement geometric alignment with lightweight feature-statistics and semantic consistency regularization. An efficient two-stage discrete optimization strategy is proposed to achieve this alignment objective. Extensive experiments across diffusion variants, subset sizes, image resolutions, and training rounds show that our method achieves superior fidelity and distributional coverage in diffusion model training. Codes are available at https://github.com/2018cx/GADC.

14.
arXiv (CS.AI) 2026-06-16

Skill-to-LoRA: From Using Skills to Learning Behaviors for Token-Efficient LLM Agents

arXiv:2606.16769v1 Announce Type: new Abstract: Agent skills are commonly distributed as SKILL.md files: human-readable procedural documents that describe workflows, tools, resources, and domain conventions. While convenient for inspection and reuse, this design requires the same reusable procedure to be repeatedly injected into the runtime context. We propose Skill-to-LoRA(S2L), a behavior-centric skill representation that replaces runtime skill text with skill-specific LoRA adapters. Rather than compressing the skill document itself, S2L models the behavioral change induced by the skill text: offline, the complete SKILL.md is used to synthesize skill-guided demonstrations; online, the full document is omitted and the corresponding LoRA adapter is dynamically loaded to activate the learned skill behavior. We evaluate S2L with Qwen3.6-27B on a 21-skill subset of SWE-Skills-Bench. Compared with the no-skill and Full Skill Text baselines, S2L improves pass rate by 2.9 and 5.2 percentage points, respectively, while reducing per-step token cost by 6.6% relative to Full Skill Text prompting. S2L matches or improves Full Skill Text on 18/21 skills and the no-skill baseline on 15/21 skills. Control experiments further show that the gains depend on skill-specific adapter alignment: Wrong-LoRA and Shared-LoRA both reduce performance. These results suggest that many procedural agent skills can be converted from runtime instructions into trainable, dynamically loadable behavioral modules. Code will be released upon acceptance.

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

Landscape-Similarity-Guided Optimization in Divide-and-Conquer QAOA

arXiv:2602.21689v3 Announce Type: replace Abstract: Divide-and-conquer strategies mitigate hardware constraints for the Quantum Approximate Optimization Algorithm (QAOA) on Noisy Intermediate-Scale Quantum (NISQ) devices by partitioning large interaction graphs into smaller, hardware-compatible sub-problems. However, this approach introduces a severe classical training bottleneck: a decomposition across $m$ boundary nodes generates $2^m$ distinct sub-problems that typically require independent optimization. In this work, we demonstrate that across diverse synthetic and real-world interaction graphs, the variational landscapes of these reduced QAOA instances actually exhibit a robust universality. Adapting the replica-overlap framework of spin-glass physics, we define a landscape-overlap order parameter $q$ to quantify geometric correlations between energy landscapes, revealing a sharp landscape-similarity transition as graph connectivity is tuned. Exploiting this, we introduce Doubly Optimized QAOA (DO-QAOA), an adaptive pipeline that collapses the sub-problems from $2^m$ distinct sub-problems into $K=\mathcal{O}(1)$ effective landscape classes. By performing optimization on a single representative sub-problem and dynamically transferring parameters to remaining sub-problems, DO-QAOA lowers runtime and quantum measurement overhead by orders of magnitude while maintaining a competitive Approximation Ratio Gap (ARG).

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

Does VLA Even Know the Basics? Measuring Commonsense and World Knowledge Retention in Vision-Language-Action Models

arXiv:2606.19297v1 Announce Type: new Abstract: Embodied Vision-Language-Action (VLA) models are typically obtained by fine-tuning powerful pretrained VLMs on robotics data, yet it is unclear how much commonsense and factual knowledge they retain after adaptation. Failures on knowledge-sensitive tasks are ambiguous, conflating missing knowledge with poor generalization of low-level control. We introduce Act2Answer, a lightweight protocol that adapts VLM knowledge benchmarks to VLA evaluation by requiring agents to answer through action. Each question becomes a short tabletop episode where the agent performs a single object-placement action to select among candidate answers, yielding an action-grounded success rate with reduced control confounds. We curate a test suite of such environments across diverse commonsense and world-knowledge categories and introduce layerwise intent probing to localize answer-relevant information across the VLM backbone and action head. In a large-scale study of 7 VLA models and 9 VLM baselines, we systematically rank models across categories, finding that VLAs show solid performance on simple concepts while exhibiting larger gaps on richer semantic categories relative to their source VLMs, that VQA co-training is associated with better knowledge retention, and that answer-relevant signals peak in middle VLA layers but attenuate in upper layers. Act2Answer is available at https://tttonyalpha.github.io/act2answer/.

17.
bioRxiv (Bioinfo) 2026-06-17

Correcting spatial transcriptomics data affected by a prevalent transcript leakage problem across platforms, species, and tissues

Spatial transcriptomics has been widely applied to study the spatial distribution of cell types, cell states, and specific gene expression in tissue samples. However, we show that there is a prevalent transcript leakage problem in spatial transcriptomics data, where transcripts expressed by a cell diffuse to its neighborhood and are recurrently detected in the nearby cells. By analyzing published data sets, we show that this problem is general across data produced from different tissues and different species using different imaging-based and sequencing-based spatial transcriptomics platforms. It affects both upstream tasks such as expression quantification as well as downstream tasks such as cell-type annotation and detection of spatially-dependent gene expression. To tackle the transcript leakage problem, we propose a reference-free Bayesian model-based method, DeLeakage, which cleans up the data much more effectively than existing denoising methods. DeLeakage also improves cell-type annotation and avoids false detection of spatially dependent expression.

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

Benign in Isolation, Harmful in Composition: Security Risks in Agent Skill Ecosystems

arXiv:2606.15242v1 Announce Type: cross Abstract: Skills are becoming the capability layer through which LLM agents turn plans into actions, but their use introduces security risks such as data leakage, unauthorized operations, and tool misuse. Existing vetting usually evaluates each skill in isolation, while real agent tasks often invoke multiple skills in a shared execution context. This creates Skill Composition Risk (SCR): a skill that appears benign alone can become harmful when its outputs, trust signals, authorization cues, or side effects influence later invocations along an activated path. We introduce SCR-Bench to evaluate this risk in controlled, sandboxed skill environments. Rather than relying only on textual intent or surface behavior, SCR-Bench records downstream state changes and path-level outcomes across composed skill executions. It contains three sub-benchmarks: SCR-CapFlow for capability-flow composition, SCR-TrustLift for trust-transfer composition, and SCR-AuthBlur for authorization-confusion composition. Across SCR-Bench, composed paths expose risks that are largely absent under isolated evaluation. In SCR-CapFlow, attack success rate reaches 33.6 percent under composition, compared with near-zero isolated baselines. In SCR-TrustLift, attack success rate exceeds 96.5 percent on four of five backends. In SCR-AuthBlur, the risky-approval rate increases by 71.8 percent relative to the L0 isolated baseline under the L1 context setting. These results show that agent skill security should be assessed at the level of activated paths rather than isolated artifacts. SCR and SCR-Bench provide a foundation for path-aware risk evaluation and defense in LLM agent skill ecosystems. Benchmark: https://github.com/saint-viperx/SCR_Bench.

19.
arXiv (quant-ph) 2026-06-17

Broadband High-Level Squeezed Light using Waveguide Optical Parametric Amplifiers with External Dispersion Compensation

arXiv:2606.17422v1 Announce Type: new Abstract: We demonstrate broadband phase-sensitive amplification (PSA) measurement of squeezed light generated by a waveguide optical parametric amplifier (OPA) with external dispersion compensation. In broadband systems, group velocity dispersion (GVD) induces a frequency-dependent rotation of the squeezing axis, which limits the observable bandwidth in PSA measurements. To overcome this limitation, we introduce external dispersion compensation between two OPAs and suppress the quadrature rotation over a wide frequency range. As a result, we observe a maximum squeezing of 5.9 dB near the carrier frequency and more than 5 dB of squeezing up to a frequency offset of 4.5 THz from the carrier. Furthermore, squeezing below the shot-noise level is confirmed up to a frequency offset of 6 THz from the carrier, corresponding to the accessible phase-matching bandwidth of the waveguide OPA. Our results establish a practical method for broadband characterization of squeezed light and provide a key step toward ultrafast continuous-variable quantum information processing.

20.
medRxiv (Medicine) 2026-06-15

Non-Parametric Ancestry Adjustment for Polygenic Scores

Modern polygenic risk scores (PRS) exhibit shifts correlated with ancestry, leading to erroneous predictions for non-European individuals when models are trained on predominantly European cohorts. Such shifts arise from, among other factors, (1) algorithmic limitations in the ability of PRS model training to detect causal variants, rather than nearby variants with ancestry-dependent correlations to the causal one, (2) under-representation of alleles with higher prevalence in non-European populations in the association study training, and (3) gene-by-environment interactions where the environment is correlated with genetic ancestry. Current ancestry-adjustment methodologies often discretize individuals into population categories and apply a simple affine mapping to reduce these genetic ancestry biases. However, such approaches provide suboptimal adjustments, particularly for admixed individuals. In this work, we introduce a detailed theoretical characterization of ancestry-dependent biases and propose novel methods based on non-parametric neighborhood techniques that provide more accurate empirical results and admit statistical consistency guarantees. Extensive experiments using the UK Biobank demonstrate the effectiveness of the proposed methods.

21.
bioRxiv (Bioinfo) 2026-06-10

APOSM: Pairwise preference learning improves generative small-molecule design

Small-molecule lead refinement is constrained by the cost of synthesizing and assaying candidates, making the surrogate models that prioritize compounds for experimental testing central to the design process. The reliability of such surrogates is limited by the noise and sparsity of screening measurements. We show that training the surrogate on pairwise comparisons between candidate molecules, rather than on absolute predicted scores, yields a substantially more reliable signal for active candidate selection in this regime. We develop APOSM, an active-learning algorithm that combines a fragment-based generator, a pairwise message-passing graph neural network surrogate, and probabilistic ranking inside a batched acquisition loop. On the Practical Molecular Optimization benchmark and a GPCR ligand rediscovery task, APOSM improves target attainment and sampling efficiency over unguided fragment-based optimization, the Graph-GA genetic algorithm, and a pointwise-regression ablation, with the largest gains on tasks where absolute scores are hardest to calibrate.

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

When Language Representations Interact: Separability and Cross-Lingual Effects in LLMs

arXiv:2606.14347v1 Announce Type: new Abstract: Large language models exhibit strong multilingual capabilities, however, their internal representations are difficult to interpret. Understanding these interactions is important for ensuring reliable behavior in multilingual systems. Recent work has shown that causal-geometric structure can explain how certain concepts are encoded as approximately linear and separable directions, but whether this framework extends to multilingual models, where language identity is correlated and hierarchical, is underexplored. We apply causal-geometric analysis to multilingual LLMs, studying 28 bilingual contrasts across three models, allowing us to analyze when languages behave as approximately independent factors and when structured dependencies persist. We find evidence that language concepts admit stable linear representations that are largely separable under a covariance-adjusted (causal) inner product, with structured deviations reflecting linguistic similarity. Moreover, languages within the same family (such as Germanic or Romance) exhibit a simplex-like geometric structure, suggesting hierarchical organization. These results extend causal-geometric interpretability to multilingual settings and provide insight into how separability and similarity may exist in multilingual LLM representations, motivating interpretability analyses that diagnose when and how structured dependencies between concepts can be anticipated. This has implications for trustworthy deployment, as residual structure between languages may lead to unintended cross-lingual effects when models are monitored or intervened upon.

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

Querying Counterfactuals on Tissue Graphs with Supervised Disentanglement

arXiv:2606.08493v2 Announce Type: replace-cross Abstract: Tissue graph counterfactuals ask how a cell's expression would change under altered spatial neighbor contexts. Such queries are central to predicting cell behavior in tissues, but lack a unified definition, with existing methods targeting specific intervention types or treating cells as i.i.d. In this work, we first formalize tissue graph counterfactuals as a class of spatial interventions that either rewire connections between cells (edge perturbation) or modify the expression of their neighbors (node perturbation). We then introduce Cellina (https://cellina.readthedocs.io) - a framework that uses supervised disentanglement to decompose a cell's intrinsic state from its spatial context, using the latter as a conditioning input for counterfactual predictions. Across benchmarks spanning over 2.5 million spatially-resolved cells in colorectal cancer and mouse brain, Cellina outperforms spatially-informed and non-spatial competitors in in-silico graph perturbations, disentanglement, and scalability. Additionally, we show that Cellina reveals biologically distinct cancer subdomains in an unsupervised manner and enables targeted neighbor perturbation simulations.

24.
medRxiv (Medicine) 2026-06-16

Presurgical immune biomarkers associated with pain intensity and pain interference recovery after total knee arthroplasty: findings from the PRIME-KNEE study

Chronic postsurgical pain (CPSP) prevalence after total knee arthroplasty (TKA) is >20%. Circulating immune biomarkers are known factors of musculoskeletal pain but poorly understood as CPSP predictors. This prospective, longitudinal study of 203 patients s/p TKA tested presurgical plasma biomarkers associated with 6-month CPSP, using promising approaches from geriatrics biomarker research: expected recovery differential (ERD; resilience outcome) and penalized, machine-learning regularization modeling (elastic net and LASSO regression). Forty-nine presurgical candidate biomarkers were considered. CPSP was operationalized using ERDs built around PROMIS pain intensity and pain interference, which quantified the difference between observed and expected recovery after accounting for demographic, comorbidity, reserve, and perioperative factors. Plasma/ERDs from ~130 patients revealed 13 biomarkers with the highest selection stability criteria, and either positive or negative (+/-) associations with ERDs. Interleukin (IL) 5 (-) and Lipopolysaccharide-Binding Protein (LBP; +) were associated with both ERDs. Unique associations with pain intensity ERD included Cytomegalovirus-Specific IgG Negative (CMV IGg-; -), Macrophage Inflammatory Protein-1 Beta (MIP1b; -), IL12p70 (-, Cluster of Differentiation 30 (sCD30;-), Interferon alpha 2a (IFN2a;+), and Leukemia Inhibitory Factor (LIF;+). Unique associations with pain interference ERD included Lipopolysaccharide (LPS;-), Activin A (-), IL8 (-), Serum Amyloid A (SAA;-), and IL7 (+). Protein-protein interaction analyses and topology motifs suggest a centralized network with higher-than-expected connectivity, involving IL5, IL7, IL8, MIP1{beta}, and IFN2a, among others. This study proposes rigorous yet feasible approaches to expedite pain biomarker research, and introduces presurgical biomarkers t0 consider in future TKA-CPSP biosignature derivation.

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

Polar: A Benchmark for Evaluating Political Bias in LLMs

Political bias in large language models (LLMs) is increasingly significant, but difficult to measure reproducibly across political and linguistic contexts. We introduce Polar, a 4,026-instance multiple-choice benchmark that measures political bias through option-level likelihoods rather than prompt-based generation. Polar covers two ideological axes and eight issue categories derived from the Manifesto Project, and evaluates models in parallel across U.S. and South Korean political contexts. Across 38 LLMs, measured bias varies systematically with political context, issue category, model group, and presentation language. All models lean left-progressive on U.S. political content, but show more centered and mixed patterns on South Korean content. Translation experiments further show that presentation language alone can shift measured bias. These findings highlight the need for multilingual and cross-contextual evaluation of political bias in LLMs.