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01.
arXiv (CS.CL) 2026-06-16

How Much Can We Trust LLM Search Agents? Measuring Endorsement Vulnerability to Web Content Manipulation

Large language model (LLM)-based search agents synthesize open-web content into actionable recommendations on behalf of users, creating a risk that attacker-published pages are transformed into endorsed claims. We introduce SearchGEO, a controlled evaluation framework for measuring endorsement corruption in LLM-based web-search agents, combining a web-evidence manipulation pipeline, a five-mode attack taxonomy, and multiple output-level metrics. We evaluate 13 LLM backends on 308 cases each. Results show that vulnerability patterns vary across backends: overall attack success rate (ASR) ranges from 0.0% on Claude-Sonnet-4.6 to 31.4% on Gemini-3-Flash, the strongest attack mode differs by model family, and the same deployment scaffold could amplify or decrease ASR on different backends. An auxiliary agent-skill probe, where endorsement becomes an install command, exposes a sharp split among otherwise robust backends: Claude over-rejects while GPT over-trusts. These findings argue for treating recommendation reliability under adversarial search content as a first-class dimension of backend safety evaluation.

02.
arXiv (CS.AI) 2026-06-16

RetailBench: Benchmarking long horizon reasoning and coherent decision making of LLM agents in realistic retail environments

arXiv:2606.15862v1 Announce Type: new Abstract: Large language model (LLM) agents have made rapid progress on short-horizon, well-scoped tasks, yet their ability to sustain coherent decisions in dynamic long-horizon environments remains uncertain. We introduce RetailBench, a data-grounded simulation benchmark for evaluating tool-using LLM agents in single-store supermarket operation. RetailBench models retail management as a partially observable decision process and is designed to support thousand-day-scale simulations. In this environment, agents must manage pricing, replenishment, supplier selection, shelf assortment, inventory aging, customer feedback, external events, and cash-flow constraints. We evaluate seven contemporary LLMs under representative agent frameworks over a 180-day evaluation horizon and compare them with a privileged oracle policy. Results show substantial variation across models: only a small subset survives the full evaluation horizon, and even the strongest LLM runs remain substantially behind the oracle policy in final net worth and sales outcomes. Behavioral analysis attributes these gaps to incomplete evidence acquisition, surface-level decision making, and the lack of a consistent long-horizon policy. RetailBench provides a controlled testbed for studying reliable autonomy in economically grounded long-horizon decision-making.

03.
arXiv (quant-ph) 2026-06-16

Trainable Quantum Channels as Computational Primitives for Quantum Learning

arXiv:2606.15808v1 Announce Type: new Abstract: Variational quantum learning is traditionally constrained to unitary dynamics, often treating quantum channels as detrimental noise. In this work, we reformulate the quantum channels as trainable computational primitives and establish a non-unitary quantum machine learning framework grounded in open-system dynamics. We demonstrate that the outputs of channel-enhanced quantum models form a structured superposition of multiple functional components. Each component is governed by an effective observable whose spectrum can be adaptively modulated during training, a significant departure from the spectral invariance in unitary transformations. Moreover, the proposed framework generalizes conventional unitary quantum models by retaining them as a special case while introducing additional non-unitary degrees of freedom. Furthermore, we reveal that trainable quantum channels enrich the optimization geometry through ensemble-averaged gradient and additional optimization directions induced by the Kraus operators. Empirical evaluations on classification tasks using trainable amplitude-damping and phase-damping channels confirm enhanced optimization dynamics and predictive performance. Our work provides a principled approach for leveraging quantum channels as trainable resources and advances the design of high-performance quantum learning architectures.

04.
arXiv (quant-ph) 2026-06-16

Superresolution technique beyond the diffraction limit under a structured beam via different optical nanostructures

arXiv:2602.19417v2 Announce Type: replace-cross Abstract: To overcome the limit of diffraction while achieving the superresolution technique, solid immersion lenses are the key optical elements for data storage and nanophotonics applications. Recent demonstrations have shown how different nanostructures (such as elliptical solid immersion lenses) are used in diverse fields of increasing resolution in the presence of a structured Gaussian beam. By applying twisted beams such as angular momentum beams (Laguerre- Gaussian) and spatial higher-order Gaussian beams (Hermite- Gauss), we can attain a sharp near-field focal spot pattern, which is considerably better than the conventional solid immersion lens structure in ~mm scale specifically for imaging beyond diffraction limit. Our computation results present a resolution of ~27 nm under a specific Hermite -Gauss mode illumination on a pyramidal shape nanolens structure. By numerical simulations, tolerance has been confirmed with a slight variation in beam size and geometrical modification to make the model compatible with fabrication errors. This narrow bandwidth intensity distribution can be utilized for scanning the sample with higher resolution, especially in the field of quantum technology.

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

SupraBench: A Benchmark for Supramolecular Chemistry

Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-consuming, requiring days of dry-lab verification per candidate pair. Although LLMs have emerged as a fast alternative with strong performance on molecular binding tasks, no benchmark currently systematically evaluates LLMs for host-guest reasoning across fundamental supramolecular chemistry tasks, e.g., binding affinity prediction. To this end, we collaborate with domain experts to release the first Supramolecular Benchmark, called SupraBench, to evaluate LLMs in chemistry reasoning. Specifically, we design four fundamental tasks, i.e., binding affinity prediction, top-binder selection, solvent identification, and host-guest description, plus an auxiliary vision-based task for molecular identification. We also release SupraPMC, a curated 16M-token corpus of Supramolecular chemistry articles distilled from Europe PMC, to support the adaptation to the supramolecular domain. We benchmark a broad range of open and proprietary LLMs and find that LLMs leave substantial headroom across all tasks. Domain adaptation pretraining over SupraPMC transfers cleanly to in-distribution regression but trades off against strict letter-format output. Moreover, the difficulty profile differs sharply across task families, revealing distinct failure modes that indicate specific gaps in current supramolecular chemistry reasoning. Our source codes and benchmark datasets are available at https://github.com/Tianyi-Billy-Ma/SupraBench.

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

The Illusion of Multi-Agent Advantage

Prevailing wisdom posits that Multi-Agent Systems (MAS) are superior to Single-Agent Systems (SAS), citing advantages like context protection, parallel processing and distributed decision-making. However, empirical support for this claim relies primarily on comparisons with SAS baselines using benchmarks that prioritize isolated reasoning tasks, which do not adequately assess these advantages. Focusing on automatically generated MAS that are designed for enhanced generalizability over manually-designed counterparts, we perform a rigorous, systematic evaluation against SAS, specifically Chain-of-Thought with Self-Consistency (CoT-SC). Across traditional reasoning datasets and tasks with interactive multi-step workflows (e.g., BrowseComp-Plus), we demonstrate that automatic MAS consistently underperform CoT-SC despite being up to 10x more expensive. To isolate these failures from limitations inherent to task structure, we introduce a diagnostic synthetic dataset tailored for MAS featuring explicit task decomposition, context separation and parallelization potential. We show that expert-architected MAS consistently outperforms automatically generated architectures in both raw performance and cost-efficiency on this dataset, demonstrating that existing evaluation frameworks mask critical architectural gaps and inefficiencies of complex MAS by failing to account for the marginal utility of increased computational cost. Critically, systematic deconstruction of the generated MAS architectures reveals that current automated design paradigms produce architectural bloat that prioritizes superficial complexity which does not translate into functional utility, exposing a fundamental misalignment with multi-agent principles.

07.
arXiv (CS.AI) 2026-06-19

MetaResearcher: Scaling Deep Research via Self-Reflective Reinforcement Learning in Adversarial Virtual Environments

arXiv:2606.19893v1 Announce Type: new Abstract: Deep research agents have demonstrated remarkable capabilities in autonomous information gathering and synthesis, yet their training remains constrained by the static nature of simulated environments, the limits of fact-retrieval-only task designs, and the inefficiency of outcome-based reinforcement learning. In this work, we propose MetaResearcher, a novel framework that scales deep research agent training across four synergistic dimensions. First, we introduce an Evolving Virtual World that injects temporal dynamics and adversarial misinformation into the training environment, forcing agents to develop source credibility assessment and temporal conflict resolution skills. Second, we design Discovery-Oriented Tasks – including hypothesis generation and contradiction resolution – that transcend simple fact retrieval and push agents toward genuine research behaviors. Third, we propose a Self-Reflective Meta-Reward mechanism within the GRPO framework that jointly optimizes for answer correctness, search path efficiency, reflection depth, and tool call diversity, directly addressing the repetitive action loop problem observed in prior work. Fourth, we introduce a Heterogeneous Multi-Agent Swarm architecture comprising specialized Scout, Filter, and Synthesizer models that learn collaborative research strategies through coordinated reinforcement learning. Built upon the LiteResearcher infrastructure, MetaResearcher requires zero marginal API cost for training while targeting substantial improvements in both benchmark performance (GAIA, Xbench-DS) and epistemic robustness under adversarial conditions. We present the complete framework design, training methodology, and planned experimental validation.

08.
arXiv (quant-ph) 2026-06-24

Wigner's Phase Space Current for Variable Beam Splitters – Phase Space Rotations and Newtonian Trajectories

arXiv:2606.24334v1 Announce Type: new Abstract: Beam splitters allow us to superpose two continuous single mode quantum systems. To study the behaviour of beam splitters' strongly mode mixing dynamics we consider variable beam splitters acting on Wigner's phase space distribution, W , the evolution of which is governed by the continuity-equation {\partial \tau} W = - {\nabla} J. We derive the form of the corresponding Wigner current, J. J's form allows us to use a classical trajectories-approach to analyze the influence of the two modes on each other. We show that the dynamics for variable beam splitters amounts to a rotation confined within the plane of the two positions together with the same simultaneous rotation confined within the plane of the two momenta. In this way explicit and very transparent expressions for the rotated Wigner distributions and Wigner currents can be given in terms of classical trajectories. This helps us to gain deeper insights and perform geometrical analyses of the mixing of modes at beam splitters.

09.
arXiv (quant-ph) 2026-06-24

Discovery of connectivity-trainability trade-off of IQP Circuits for Hamiltonian Optimization

arXiv:2606.24264v1 Announce Type: cross Abstract: Instantaneous Quantum Polynomial-time (IQP) circuits are promising candidates for near-term quantum advantage due to the conjectured classical hardness of their sampling task. However, their capabilities for optimization remain largely unexplored. We present a systematic investigation of the performance and trainability of IQP circuits for Hamiltonian optimization. Our results reveal a trade-off between optimization performance and circuit connectivity, demonstrating that the circuit structure plays a key role in determining the ability of IQP circuits to reach low-energy states.

10.
arXiv (CS.AI) 2026-06-11

Feature-Aligned Speech Watermarking for Robustness to Reconstruction Distortions

arXiv:2606.11828v1 Announce Type: cross Abstract: Audio watermarking aims to embed identifiable information into audio while remaining imperceptible. Existing methods adopt high-fidelity, low-energy designs to preserve perceptual quality, but the resulting watermarks lack robustness under suppression by speech reconstruction models. Improving robustness is challenging due to the inherent robustness-fidelity trade-off in existing designs, where increasing watermark energy improves robustness but reduces fidelity. To address this problem, we propose a feature-aligned watermarking method that aligns the watermark with the original speech feature distribution, allowing higher watermark energy to improve robustness while preserving imperceptibility. We use a pretrained speech codec to generate a pseudo-speech watermark and fuse it into the spectrogram of the input audio, with VAD loss and perceptual losses guiding embedding within voiced regions. Experiments show that our method maintains imperceptibility comparable to existing approaches while substantially improving robustness under both seen and unseen speech reconstruction models.

11.
arXiv (math.PR) 2026-06-18

Kemeny's constant minimization for reversible Markov chains via structure-preserving perturbations

arXiv:2510.24679v4 Announce Type: replace-cross Abstract: Kemeny's constant measures the efficiency of a Markov chain in traversing its states. We investigate whether structure-preserving perturbations to the transition probabilities of a reversible Markov chain can improve its connectivity while maintaining a fixed stationary distribution. Although the minimum achievable value for Kemeny's constant can be estimated, the required perturbations may be infeasible. We reformulate the problem as an optimization task, focusing on solution existence and efficient algorithms, with an emphasis on the problem of minimizing Kemeny's constant under sparsity constraints.

12.
arXiv (math.PR) 2026-06-17

Critical spectral behavior and large deviations for geometric $\alpha$-stable processes

arXiv:2606.17501v1 Announce Type: new Abstract: In this paper, we study the Schrödinger-type operator associated with geometric stable processes on $\mathbb{R}^{d}$, especially the differentiability of spectral function. Let $\mathcal{H}$ be the generator of the geometric stable process and $\mu$ a smooth measure on $\mathbb{R}^{d}$. Then the spectral function $C(\theta)$ is defined as $C(\theta) = -\inf \sigma(-\mathcal{H} - \theta \mu)$, where $\sigma(\mathcal{A})$ denotes the spectrum of $\mathcal{A}$ and $\theta$ is a real parameter. Since the geometric stable process exhibits severe local singularities in its Lévy measure, its transition semigroup lacks ultracontractivity, which invalidates classical methods for proving the differentiability. To overcome this obstacle, we use the compact embedding of the extended Dirichlet space into $L^2(\mu)$. As a primary application of this differentiability, we establish a large deviation principle for a positive continuous additive functional associated with the smooth measure $\mu$.

13.
medRxiv (Medicine) 2026-06-22

Genetic and Shared Environmental Influences on Cancer Risk and Cross-Cancer Associations in Nordic Twins

The relative contributions of genetic and shared environmental influences to cancer risk and cross-cancer associations remain poorly understood. We analyzed data from 222,530 same-sex twins from Denmark, Finland, Norway, and Sweden in the Nordic Twin Study of Cancer, including 43,060 incident cancers over a median follow-up of 41.6 years. Using a target trial framework, biometric modeling, and competing-risk adjustment, we estimated familial risk, heritability, and shared environmental contributions across 35 cancer sites. Lifetime cancer risk was 36.5%, increasing to 51.4% in monozygotic (MZ) twins and 45.3% in dizygotic (DZ) twins with an affected co-twin. Overall cancer risk was explained by heritable (28%) and shared environmental (40%) influences. Heritability was highest for prostate (42%), non-melanoma skin (24%), and breast (18%) cancers. Cross-cancer analyses revealed extensive overlap in the genetic and shared environmental factors across sites, consistent with widespread pleiotropy and shared environmental susceptibility. Prostate cancer exhibited the strongest genetic overlap with rectum/anus (12%) and kidney (11%) cancers, whereas co-shared environmental influences were most pronounced for breast-lung (11%), prostate-bladder (11%), and prostate-lung (12%) cancers. These findings show pervasive genetic overlap across cancers at different sites and emphasize the importance of incorporating familial shared environmental exposures into cancer risk prediction and prevention strategies.

14.
arXiv (CS.AI) 2026-06-24

Reward-Centered ReST-MCTS: A Robust Decision-Making Framework for Robotic Manipulation in High Uncertainty Environments

作者:

arXiv:2503.05226v2 Announce Type: replace-cross Abstract: Monte Carlo tree search is attractive for robotic manipulation because it can improve action selection through simulation without requiring a fully differentiable policy. In uncertain domains, however, sparse terminal rewards and noisy transitions can make shallow search brittle: many candidate branches remain indistinguishable until late rollouts, and small simulation budgets amplify this ambiguity. This paper presents Reward-Centered ReST-MCTS, a decision-making framework that decomposes intermediate feedback into rule, heuristic, optional neural, and value-estimation channels, centers the resulting process signal against matched task contexts, and uses it to bias or repair search while preserving terminal-task evaluation. The primary evidence is intentionally tiered. Local tasks and matched ManiSkill diagnostics isolate reward-center mechanisms and ablations; matched option-level ManiSkill sweeps test robustness under primitive failure, observation noise, and initial-pose shifts while not claiming standard benchmark superiority; and an official same-backbone OpenVLA-OFT/LIBERO bridge tests bounded VLA action repair. The OpenVLA-OFT clean reproduction reaches 10/10 LIBERO-Spatial successes both with and without RCRM-Guard. A single-suite same-backbone action-channel stress artifact over ten paired LIBERO-Spatial action-channel stress episodes records 0/10 unguarded successes and 9/10 guarded successes. Additional observation-noise, language-perturbation, and visual-distractor probes are reported as coverage and negative-result context rather than superiority evidence. The resulting claim is bounded: Reward-Centered ReST-MCTS is an inspectable test-time verifier for same-backbone high-uncertainty manipulation, not a replacement VLA policy or a broad standard-benchmark superiority claim.

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

SACE: Concept Erasure at the Semantic Singularity in Visual Autoregressive Models

The rapid progress of visual autoregressive (VAR) models has unlocked a transformative frontier for high-fidelity text-to-image synthesis, while heightening concerns over the safety alignment of generated content. Naive application of existing erasure techniques to VAR models causes catastrophic semantic collapse and visual artifacts, since they are predominantly designed for the homogeneous denoising steps of diffusion models. To address this foundational challenge, we first propose the Semantic Singularity Axiom, which posits that any target semantic concept embedded within a prompt is definitively locked at Scale-0. Then rigorously validate this axiom through our proposed Incremental Semantic Saliency Analysis (ISSA),which also enable the community to transparently inspect the coarse-to-fine semantic injection process. Guided by this insight, we introduce the first scale-aware concept erasure framework (SACE) for VAR models. By strictly confining interventions to the first scale, our approach couples an Entropy-Regularized Erasure Objective to prevent high-entropy sampling degeneration, alongside a restorative preservation loss to safely anchor the integrity of entangled benign priors. Extensive experiments demonstrate that our method achieves surgical concept erasure performance across various domains with minimal training overhead, timely and elegently resolute the critical safety vulnerabilities inherent in emerging VAR architectures. Code is available at: https://github.com/limerenceysy/SACE}{https://github.com/limerenceysy/SACE.

17.
arXiv (math.PR) 2026-06-15

The 1/4-phenomenon of placement probabilities of tilings in the Aztec diamond

arXiv:2512.08377v2 Announce Type: replace-cross Abstract: We consider domino tilings of the Aztec diamond. Using the Domino Shuffling algorithm introduced by Elkies, Kuperberg, Larsen, and Propp in arXiv:math/9201305, we are able to generate domino tilings uniformly at random. In this paper, we investigate the probability of finding a domino at a specific position in such a random tiling. We prove that this placement probability is always equal to $1/4$ plus a rational function, whose shape depends on the location of the domino, multiplied by a position-independent factor that involves only the size of the diamond. This result leads to significantly more compact explicit counting formulas compared to previous findings. As a direct application, we derive explicit counting formulas for the domino tilings of Aztec diamonds with $2\times 2$-square holes at arbitrary positions.

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

Conformal Candidate Certification for Offline Model-Based Optimization

arXiv:2606.15217v1 Announce Type: cross Abstract: Offline model-based optimization (MBO) proposes candidates by optimizing a surrogate trained on a fixed historical dataset. Because candidates are deliberately out-of-distribution, surrogate rankings are least reliable exactly where the optimizer is most aggressive, yet existing methods provide no per-candidate statistical certificate that a design meets a target threshold. We propose Conformal Candidate Certification (CCC), a post-hoc wrapper that attaches a calibrated one-sided lower bound to each candidate and advances only those whose bound exceeds the target. We show that entropy-regularized surrogate maximization induces a Gibbs-tilted proposal, so the same surrogate supplies importance weights for weighted conformal prediction without a separate density-ratio estimation step. In a controlled synthetic study, CCC certifies $16.7\%$ of an aggressive proposal pool with empirical coverage 0.990 at nominal 0.90, while standard conformal prediction ignoring the covariate shift collapses to 0.416 coverage.

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

As Easy as Rocket Science: Assessing the Ability of Large Language Models to Interpret Negation in Figurative Language

Figurative language and negation are two areas that challenge current language models, however, both are widely used throughout written and spoken language. Large language models (LLMs) are also widely used in everyday contexts where they cannot necessarily be tuned for a specific dataset. It is therefore essential to understand the ability of LLMs to correctly interpret text that includes both negation and figurative language. To investigate this, we develop a set of new annotations to an existing dataset of figurative language, and test a range of language models on the dataset. We find that the combination of negation and figurativeness can present a particular challenge, and that performance overall and across different negation types is particularly dependent on the prompt style used.

20.
arXiv (CS.CL) 2026-06-16

LLM Judges Have Dark Current: A Psychometric Datasheet for LLM-as-a-Judge Evaluation

LLM-as-a-judge systems are now routinely used for open-ended model evaluation, where human preference annotation is costly, slow, and difficult to reproduce. Yet these judges are often reported as scalar accuracy, win-rate, or agreement devices. We argue that a judge should instead be reported as a measurement instrument. We introduce a Judge Datasheet protocol that measures dark current under true-vacuum inputs, stable cross-sensitivity to same-quality surface variation, positional false preference, target sensitivity on a controlled quality ladder, and the criterion or operating point induced by tie instructions. The direction-stability decomposition reveals that apparent Delta0 preference can be stable surface response or disguised position bias. In a three-judge open-weight case study, Llama-3.1-8B shows high dark current and presentation-conflicted Delta0 behavior, Qwen2.5-14B is vacuum-clean and target-sensitive but mixes stable and positional over-discrimination, and Qwen2.5-32B is vacuum-clean with low stable cross-sensitivity and low positional false preference. A strict tie criterion eliminates Qwen32B Delta0 false preference but absorbs marginal Delta1 target signals into ties while preserving Delta5 sensitivity. The results show that prompting moves the criterion, not the resolution. We do not claim that the downstream mechanism hypothesis that motivated this work is confirmed; the contribution is a metrological protocol for measuring the measuring device before downstream claims are made.

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

On the Stability of Growth in Structural Plasticity

arXiv:2605.15435v2 Announce Type: replace Abstract: Standard deep-learning pipelines usually choose the network architecture before training and keep it fixed throughout optimization. In contrast, a model can also be adapted by editing its structure during training, for example by pruning existing hidden-neuron units or growing new ones. Although growth is appealing for adaptive and continual systems, we show that it is not simply the inverse of pruning. Pruning selects among units that have participated in training from the start, whereas growth inserts new units into an already specialized optimization trajectory. We isolate this insertion problem and show that newborn units are often forward-active but backward-starved: they participate in the forward computation, yet receive much weaker gradient signal than incumbent units. This disadvantage is minor in small MLP benchmarks, but becomes clear in harder image-classification settings with a convolutional trunk. In these settings, \textsc{Grow} can achieve high final accuracy during the structural-editing procedure, while \textsc{Prune} is stronger when performance is averaged over the training trajectory or when the final sparse network is retrained from scratch. Interventions targeting optimizer state, insertion, selection, and trainability show that improving the integration of newborn units can improve adaptive performance, but does not automatically produce better final subnetworks. In continual-learning benchmarks stressing plasticity loss, \textsc{Grow} becomes competitive mainly when new units have enough time to integrate. Together, these results suggest that \textsc{Grow} should be evaluated not only as an architecture-search operator, but as a time-sensitive optimization process whose success depends on insertion stability.

22.
arXiv (CS.AI) 2026-06-19

FlowEdit: Associative Memory for Lifelong Pronunciation Adaptation in Flow-Matching TTS

arXiv:2606.20518v1 Announce Type: new Abstract: Flow-matching text-to-speech systems achieve remarkable zero-shot quality but remain static after deployment: pronunciation errors on out-of-vocabulary proper nouns persist unless the model is retrained. We introduce FlowEdit, a life-long adaptation framework for frozen flow-matching TTS that learns pronunciation corrections as latent conditioning edits rather than weight updates. When corrective feedback is provided, FlowEdit optimizes a token-level perturbation in the text embedding space, then stores the correction in a Modern Hopfield Network serving as content-addressable episodic memory. At inference, corrections are retrieved via soft attention with a similarity gate, enabling fuzzy morphological matching. On our curated benchmark of 312 multilingual proper nouns across 18 language families, FlowEdit reduces target-word Phoneme Error Rate by 92.7% relative to the zero-shot baseline while maintaining identical general-speech quality. Corrections complete in approximately 15 seconds on a single GPU.

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

Analytical solution of the Schr\"{o}dinger equation with $1/r^3$ and attractive $1/r^2$ potentials: Universal three-body parameter of mixed-dimensional Efimov states

arXiv:2601.19517v2 Announce Type: replace-cross Abstract: We study the Schr\"{o}dinger equation with $1/r^3$ and attractive $1/r^2$ potentials. Using the quantum defect theory, we obtain analytical solutions for both repulsive and attractive $1/r^3$ interactions. The obtained discrete-scale-invariant energies and wave functions, validated by excellent agreement with numerical results, provide a natural framework for describing the universality of Efimov states in mixed dimension. Specifically, we consider a three-body system consisting of two heavy particles with large dipole moments confined to a quasi-one-dimensional geometry and resonantly interacting with an unconfined light particle. With the Born-Oppenheimer approximation, this system is effectively reduced to the Schr\"{o}dinger equation with $1/r^3$ and $1/r^2$ potentials, and manifests the Efimov effect. Our analytical solution suggests that, for repulsive dipole interactions, the three-body parameter of the mixed-dimensional Efimov states is universally set by the dipolar length scale, whereas for attractive interactions it explicitly depends on the short-range phase. We also investigate the effects of finite transverse confinement and find that our analytical results are useful for describing the Efimov states composed of two polar molecules and a light atom.

24.
bioRxiv (Bioinfo) 2026-06-08

DipSkmer: Reference-free population genomics with diploid genome skims

Ecologists and conservation biologists rely on genetic diversity as a key essential biodiversity variable (EBV) used to track population health and dynamics, and utilize the population parameter {theta} (estimated by the average pairwise genomic distance) as a key metric of diversity. While whole-genome-sequencing (wgs) is increasingly affordable, it will be considerable time before the full diversity of life is represented by high-quality assembled genomes; even then, constant monitoring will still require repeated sampling of populations. In contrast, genome skimming (low-coverage, short-read wgs) is highly cost-effective but challenging to analyze because the coverage is too low for assembly and reliable error correction. Mature methods, such as Mash, exist for estimating pairwise genomic distances based on the Jaccard similarity of k-mer sets computed using sketching techniques. Some, such as Skmer, additionally model the impacts of low coverage. These methods have been successfully applied to assembly-free species identification and phylogenetics; however, their use in population genetics has been limited. This is because these methods implicitly treat genomes as haploid and heterozygosity confounds true estimates of genomic distance for diploid organisms. In this paper, we address this problem through a number of technical advances. First, we use coalescent theory to mathematically derive how the Jaccard index between two diploid samples changes with the scaled population size parameter ({theta}). Next, we derive an estimator that computes {theta} from the Jaccard index, in addition to several auxiliary variables, which we also estimate from the genome skims. The resulting method, DipSkmer, enables more accurate estimates of coverage, sequencing error, and pairwise nucleotide distance for diploid samples. Analyses of both simulated and empirical datasets show that for diploids and low distances (e.g.,

25.
bioRxiv (Bioinfo) 2026-06-22

HTS-Oracle X: AI-Guided Prospective Discovery of Small Molecule Immune Checkpoint Binders

Targeting immune checkpoint protein-protein interactions (PPIs) using small molecules remains limited by the shallow, featureless binding surfaces of co-stimulatory and co-inhibitory receptors and the characteristically low hit rates of conventional high-throughput screening against these interfaces. Here we report HTS-Oracle X, a multimodal deep learning platform that integrates bidirectional cross-attention fusion of ChemBERTa SMILES embeddings with extended RDKit descriptors, trains on continuous biophysical binding signals rather than binary labels, and employs Monte Carlo Dropout uncertainty quantification for uncertainty-adjusted compound selection. Trained on 45,760 Dianthus TRIC-screened compounds per target under scaffold-aware cross-validation, HTS-Oracle X was applied prospectively to a 100,160-compound Enamine library against CD28, TIM-3, and VISTA. From 150 model-selected compounds, 45 dose-response confirmed binders were identified (30.0% overall hit rate), yielding enrichment factors of 234-408x over experimentally established random prospective baselines and 16 sub-micromolar hits. The top hits, HX-CD28-1 (KD = 233 nM), HX-TIM3-1 (KD = 249 nM), and HX-VISTA-1 (KD = 345 nM), demonstrated on-target functional activity in immune cell and tumor co-culture assays. HTS-Oracle X represents a scalable AI-guided framework for small molecule discovery against non-enzymatic immune checkpoint targets.