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01.
Nature Biotechnology 2026-06-19

Efficient site-specific gene addition using R2 retrotransposons in tobacco and rice

作者:

Precise integration of multikilobase DNA fragments remains a major technical barrier in plants. Here we introduce non-long terminal repeat (non-LTR) R2 retrotransposons as a versatile system for targeted gene integration in plants. We reconstituted R2 activity in Nicotiana benthamiana and benchmarked insertion efficiency and fidelity using a TMV-based episomal reporter system. We demonstrate site-specific integration of GFP (2.2 kb) and recombinase-compatible landing pads (0.6 kb) into 28S rDNA arrays, with intact cassette insertion frequencies up to 75% and 53%, respectively. To temporally constrain donor availability and avoid DNA intermediates, we combined in planta effector expression with recombinant RNA virus-mediated donor delivery. We apply R2 retrotransposons for targeted insertion of resistance cassettes within the rDNA of rice callus, achieving integration efficiencies up to 17%. These results position R2 retrotransposons as a double-strand break-free system for RNA-templated insertion of multikilobase gene cassettes at rDNA loci, for safe-harbor trait stacking in plants with potential applications in crop improvement and synthetic biology. Retrotransposons are applied in plants for safe-harbor transgene integration.

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

The $\mathbf{P}$-Completeness of Inverted Index Traversal: On the Complexity of Evaluating Boolean Query DAGs

作者:

Modern AI agents increasingly rely on search infrastructure to execute complex, neuro-symbolic reasoning workflows. These workflows often compile into deeply nested, non-monotonic Boolean queries over text fields. However, standard query evaluation strategies over inverted indices face severe theoretical limits when handling these structures. Stateful iterator models (Document-at-a-Time) are structurally bounded by $NC^1$ formula evaluation, suffering a worst-case $O(2^{|Q|})$ exponential blowup in query complexity when unrolling re-convergent logic. Conversely, recursive materialization models (Term-at-a-Time) incur an $\Omega(|U|)$ space complexity penalty (the Universal Scan) when evaluating logical negation over the document universe. In this paper, we establish the theoretical boundaries of executing complex logic natively over an inverted index. We formalize a retrieval language ($\mathcal{L}_R$) based on Directed Acyclic Graphs (DAGs) and prove that its evaluation problem is strictly $\mathbf{P$-Complete}. To make evaluation tractable, we introduce \texttt{ComputePN}, a deterministic, sparsity-aware evaluation algorithm. By decoupling logical negation from universe-scale materialization via a novel Positive-Negative dual representation, and utilizing native DAG memoization, \texttt{ComputePN} strictly bounds evaluation time to $O(|Q| \cdot |U_{\mathit{active}}|)$. This approach successfully evaluates $\mathbf{P}$-Complete queries natively over the index, avoiding both the combinatorial tree-expansion bottleneck and the universal scan penalty, laying the formal foundation for computational retrieval.

03.
Nature (Science) 2026-06-10

Mitochondria directly interact with the nuclear pore complex

Mitochondria regulate cellular processes through direct and indirect interactions with other organelles. A well-studied example has been contact with the endoplasmic reticulum at mitochondrial-associated endoplasmic reticulum membranes1, which control pathways including redox and calcium homeostasis2,3. Recent studies have also reported direct mitochondria–nuclear membrane contacts in cancer cells and yeast that promote pro-survival signalling4,5. Here we identify direct interactions between mitochondria and nuclear pores. Using two unbiased proteomic screens, GST pulldown and BioID, we found that VDAC1 was the top mitochondrial candidate that interacts with the filamentous nuclear pore protein RANBP2. In vitro RANBP2 CRISPR knockout, RANBP2 truncation or site-directed mutagenesis of RANBP2–VDAC1 interacting amino acids resulted in reduced mitochondria–nucleus proximity and decreased nuclear ATP and phosphocreatine levels. This was accompanied by a decline in the levels of the nuclear phosphoproteome and downregulation of pathways involved in histone modification, cellular differentiation and transcriptional regulation in vitro. Moreover, deletion of the RANBP2 C-terminal domain in vivo in mice resulted in embryonic lethality due to cardiac and neural crest differentiation defects. Collectively, these results describe a mechanism by which mitochondria directly interact with the nuclear pore complex, a phenomenon critical for regulation of nuclear energetics and cellular differentiation. Undoubtedly, additional roles of this interaction remain to be revealed. Mitochondria interact directly with the nuclear pore complex via VDAC1–RANBP2 binding to sustain nuclear ATP levels.

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

ChatPlanner: A Large Language Model Framework for Personalized Public Transit Routing

arXiv:2606.15315v1 Announce Type: new Abstract: Personalized public transit routing in public transit systems remains challenging due to the difficulty of capturing and integrating diverse user preferences into routing algorithms. This paper presents ChatPlanner, a novel framework that leverages Large Language Models (LLMs) to enable preference aware public transit routing. Our approach employs fine-tuned LLMs with Retrieval-Augmented Generation (RAG) to extract routing parameters and interpret nuanced user preferences from natural language queries, subsequently integrating these preferences into the objective function of a public transit routing algorithm. This study designs preference aware datasets incorporating eight personas and five contexts to establish scoring standards for both fine-tuning and RAG. This work conducted three experiments to validate the solutions' feasibility, extraction of routing information and preferences, and solution set quality and completeness. Results demonstrate that ChatPlanner generates feasible solutions reliably. Fine-tuning enforces the required output structure and learns general preference patterns, while RAG provides query-specific context to resolve imprecise or conversational expressions and calibrate continuous scores. The combination of both achieves the highest accuracy in routing information extraction and user preference interpretation. Results based on selected case studies show that by capturing user preferences, ChatPlanner identifies valuable solutions across different dimensions that existing route planners overlook, generating more valuable route alternatives. This research establishes a new paradigm for integrating natural language understanding into transportation optimization.

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

Damage-TriageFormer: A Foundation-Model Framework for Typology-Based Building Damage Assessment from Mono-Temporal Imagery

Decision-relevant building damage assessment is critical for prioritizing resources and recovery after a disaster, yet most automated methods either flatten damage into a single severity scale (no damage, minor, major, destroyed) or require paired pre- and post-event imagery that is often unavailable for emerging hazards. This paper presents Damage-TriageFormer, a single-image, post-event, footprint-conditioned model that produces a damage typology rather than a severity scale. We contribute: (1) DamageTriage-Bench, a new benchmark built from NOAA Emergency Response Imagery across Hurricane Michael (2018), Hurricane Helene (2024), and the 2025 Los Angeles wildfire complex, with five typology classes that distinguish roof damage from structural damage and, within each, partial from total extent; and (2) Damage-TriageFormer, which extends a DINOv3 ViT-L backbone with a Simple Feature Pyramid for higher-resolution instance pooling, a two-stage gated damage head, and an auxiliary severity-regression objective. Our model achieves macro F1 of 0.624 on validation and 0.619 on a held-out stratified test set, performing strongest where operational triage needs it most, with per-class F1 of 0.91 and 0.84 on undamaged buildings and total structural collapse, respectively. While the rare Total Roof Damage class remains difficult due to its limited examples and an inherently ambiguous label boundary, our results show that single-image post-event imagery can support actionable building damage typing, enabling targeted emergency response and resource allocation without a pre-event reference.

06.
bioRxiv (Bioinfo) 2026-06-11

HalluDesign-NA: Extending HalluDesign for De Novo Nucleic Acid Design

AlphaFold3 has revolutionized the prediction of biomolecular structures and interactions, including atomic-level modeling of nucleic acids. However, the de novo design of structured and functional nucleic acids remains a significant challenge. Here, we extend our HalluDesign framework to nucleic acid design by integrating NA-MPNN for nucleic acid sequence optimization and design. This new framework, HalluDesign-NA, enables iterative sequence-structure co-optimization, facilitating the de novo design of nucleic acids. Computational benchmarking across ssDNA, ssRNA, and aptamer design tasks demonstrates consistent improvements in confidence scores (pLDDT, ipTM), supporting the feasibility of de novo nucleic acid design under various constraints, such as sequence length, symmetry, and protein structure context. We anticipate that HalluDesign-NA will accelerate the de novo design of functional nucleic acids for applications in biotechnology and medicine. The source code for HalluDesign-NA is available at https://github.com/MinchaoFang/HalluDesign_NA.

07.
arXiv (CS.LG) 2026-06-16

Stochastic-Dimension Frozen Sampled Neural Network for High-Dimensional Gross-Pitaevskii Equations on Unbounded Domains

arXiv:2604.09361v4 Announce Type: replace Abstract: This paper introduces the Stochastic-Dimension Frozen Sampled Neural Network (SD-FSNN), a novel computational framework for solving high-dimensional Gross-Pitaevskii equation (GPE) on unbounded domain. The proposed method circumvents the curse-of-dimensionality that plagues traditional discretizations and the computational bottlenecks of gradient-based neural network solvers through a synergistic combination of techniques. First, a prescribed Gaussian envelope encodes the far-field decay of the wavefunction, enabling a space-time separation where the spatial approximation is handled by a frozen, single-hidden-layer neural network with data-driven sampled features. This yields a gradient-free formalism where spatial derivatives are analytically precomputed and time-dependence is evolved via reduced ODEs. Second, a stochastic-dimension sampler provides a conditionally unbiased estimate of the spatial operator by evaluating only a small subset of spatial dimensions at each time step, essentially reducing computational and memory costs. Discrete conservation laws are also enforced, ensuring long-term stability. Extensive numerical experiments on GPE in up to 1000 dimensions demonstrate that SD-FSNN achieves significantly higher accuracy and efficiency compared to state-of-the-art methods, including PINNs, randomized feature methods, and tensor-network approaches. The results confirm that SD-FSNN effectively mitigates the Kolmogorov $n$-width barrier for frozen-basis models on structured solution manifolds.

08.
arXiv (CS.CL) 2026-06-15

Flood and Harvest: The Provable Necessity of Trivia for Generating Valuable Mathematics via the Lens of Language Generation in the Limit

AI systems coupled to proof assistants now generate formal mathematics at scale, and the gap between what a checker can verify and what a mathematician would value has become the binding constraint. We model the generation of valuable mathematics as nested language generation in the limit: a verifiable formal language $F$, accessed through a membership oracle (the proof checker), contains an unknown valuable language $H \in \mathcal{H}$ revealed only through an adversarial enumeration of a core $C \subseteq H$ of exact density $\alpha$ (the literature). Every output is valuable ($\in H$), trivial ($\in F \setminus H$), or a hallucination ($\notin F$). We settle four questions. First, the verifier is not taste: the collections admitting generation with breadth are exactly those of the oracle-free model, characterized fiber-wise by Angluin's condition. Second, the verifier does buy sound coverage, covering all unseen valuable statements while asserting only valid ones: possible with it, impossible without it; it relocates unavoidable errors from false to trivial. Third, and centrally, a sharp dichotomy on the tight family: generators emitting finitely many trivia achieve optimal coverage $\alpha/2$, while any infinite trivia allowance, even at vanishing rate, jumps the optimum to $1-\alpha/2$ (both tight, for cores presented as the candidate intersection), and one generator attains both ends. The transition is in trivia count, not rate; the gap $1-\alpha$ is the unrecorded mass. Fourth, both regimes instantiate in a compression model of mathematics. A perfect verifier cannot substitute for taste: the unbounded stream of correct-but-worthless statements is not an engineering accident but a provable necessity, since covering unrecorded valuable mathematics requires an infinite, but asymptotically negligible, stream of certified trivia.

09.
arXiv (CS.LG) 2026-06-12

FedBiCross: Personalized One-Shot Federated Learning on Medical Images

arXiv:2601.01901v4 Announce Type: replace Abstract: Data-free knowledge distillation-based one-shot federated learning (OSFL) trains a model in a single communication round without sharing raw data, making OSFL attractive for privacy-sensitive medical applications. However, existing methods aggregate predictions from all clients to form a global teacher. Under non-IID data, conflicting predictions dilute each other during averaging, yielding less informative soft labels that weaken distillation. We propose FedBiCross, a personalized OSFL framework with three stages: (1) clustering clients by model output similarity to form coherent sub-ensembles, (2) bi-level cross-cluster optimization that learns adaptive weights to selectively leverage beneficial cross-cluster knowledge while suppressing negative transfer, and (3) personalized distillation for client-specific adaptation. Experiments on four medical image datasets demonstrate that FedBiCross consistently outperforms state-of-the-art baselines across different non-IID degrees.

10.
arXiv (quant-ph) 2026-06-15

Optimal Decoding of Small Codes by Density Matrix Propagation

arXiv:2606.14455v1 Announce Type: new Abstract: Accurate and efficient decoding is a crucial component for achieving fault-tolerant quantum computing. Realistic circuit-level noise introduces temporal correlations and degeneracy, making optimal (maximum-likelihood) decoding computationally intractable in general. As a result, practical decoders rely on heuristic approximations, and it is generally difficult to quantify how suboptimal they are, as this strongly depends on the code and noise model considered. In this work, we study the accuracy of practical decoding algorithms under circuit-level noise by comparing them against a maximum likelihood decoding benchmark. Our approach propagates the density matrix through the full memory experiment and computes the optimal decoding decision for each syndrome history. We introduce pruning techniques with rigorous bounds, allowing us to access larger numbers of syndrome-extraction rounds. We apply this framework to small instances of the repetition code and a cellular automaton code, and benchmark minimum-weight perfect matching (MWPM), belief propagation with ordered statistics decoding (BP+OSD), Tesseract, and Planar decoders against optimal decoding. While standard decoders remain close to optimal for the repetition code, we find significant deviations for the cellular automaton code, with BP+OSD deteriorating already in experimentally relevant noise regimes. Moreover, the pruning method developed here highlights that, at low physical error rates, only a narrow fraction of syndrome histories contributes significantly to the logical error rate.

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

PT-WNO: Point Transformer with Wavelet Neural Operator for 3D Point Cloud Semantic Segmentation

Point cloud semantic segmentation requires architectures that capture both fine-grained local geometry and broad global scene structure. Transformer-based networks have demonstrated strong performance by focusing on detailed local feature aggregation; however, global context is conveyed primarily through skip connections across encoder-decoder stages, which we argue is insufficient for full scene understanding. We hypothesize that augmenting skip connections with a learnable global feature extraction module allows the network to acquire scene-level knowledge before descending into local detail, leading to richer and more contextually grounded representations. To this end, we propose Point Transformer with Wavelet Neural Operato (PT-WNO), which integrates a shared Wavelet Neural Operator (WNO) branch alongside the skip connections of a point cloud transformer backbone. At each encoder-decoder transition, point features are projected onto a dense 3D volumetric grid where the WNO captures multi-scale global spectral context through learnable wavelet decomposition and reconstruction. These global features are fused back into the network via lightweight adapters, complementing rather than replacing the existing skip connections. Experiments on four large-scale 3D point cloud benchmarks demonstrate the effectiveness of PT-WNO. On S3DIS (Area 5), PT-WNO achieves 71.59% mIoU, outperforming the Point Transformer v3 (PTv3) baseline by +1.03 points. On DALES it achieves 81.05% mIoU (+1.47 over the baseline). On ScanNet~v2, PT-WNO obtains 76.19% mIoU, remaining competitive with the baseline (76.36%).

12.
arXiv (CS.AI) 2026-06-15

Minim: Privacy-Aware Minimal View for Agents via Trusted Local Sanitization

arXiv:2606.13949v1 Announce Type: new Abstract: Modern LLM-powered autonomous agents increasingly rely on rich user interface (UI) state observations to achieve reliable action grounding in complex digital environments. However, many deployments transmit the full UI state to remote inference servers even when most elements are irrelevant to the current task, which can leak sensitive but unnecessary context such as authentication codes, private notifications, and background application states. We propose MINIM, a trusted local broker that performs privacy-aware minimization on the client side before any observation leaves the device. Grounded in Contextual Integrity (CI), MINIM learns a dual-score representation for each UI element by predicting an inherent sensitivity score (s) and a task-conditioned necessity score (n). These scores drive a ternary disclosure policy that keeps essential elements, abstracts sensitive attributes when needed, and removes task-irrelevant content. We optimize a CI-aware objective that penalizes necessity errors more strongly on high-risk content, enabling aggressive pruning while preserving task-critical information. Experiments on real-world UI observations derived from WebArena show that MINIM substantially reduces task-irrelevant sensitive leakage while preserving task-critical semantic context and the interactive affordances required for reliable agent actions.

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

Quantum Fisher Information and the Speed of Entanglement

arXiv:2606.15484v1 Announce Type: new Abstract: We investigate the speed at which entanglement can be generated by an interaction parameter encoded in a two-qubit Hamiltonian, quantified by the derivative of concurrence with respect to the coupling parameter. For arbitrary pure two-qubit states evolving under a general nonlocal interaction, we derive a bound relating this entanglement speed to the quantum Fisher information (QFI). Specifically, we show that $|\partial_g C| \le \sqrt{F_Q^{(g)}}$, where $F_Q^{(g)}$ is the QFI associated with estimation of the parameter. This establishes $\sqrt{F_Q}$ as a an upper bound on the speed of entanglement generation in parameter space. We further derive the saturation conditions and identify the states and dynamical regimes for which equality is attained. At saturation, concurrence evolves at the maximum rate permitted by the distinguishability of the underlying quantum state. These results reveal a direct connection between quantum metrology and entanglement generation, showing that the same information-theoretic quantity that governs parameter-estimation precision also limits the speed at which entanglement resources can be created.

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

The MAMA-MIA Challenge: Advancing Generalizability and Fairness in Breast MRI Tumor Segmentation and Treatment Response Prediction

arXiv:2603.01250v2 Announce Type: replace-cross Abstract: Breast cancer is the most frequently diagnosed malignancy among women worldwide and a leading cause of cancer-related mortality. Dynamic contrast-enhanced magnetic resonance imaging plays a central role in tumor characterization and treatment monitoring, particularly in patients receiving neoadjuvant chemotherapy. However, existing artificial intelligence models for breast magnetic resonance imaging are typically developed and evaluated using heterogeneous datasets, study populations, and assessment protocols, making direct comparison difficult and limiting understanding of model robustness across institutions and clinically relevant patient subgroups. The MAMA-MIA Challenge was designed to address these challenges by providing a standardized benchmark for the joint evaluation of primary tumor segmentation and prediction of pathologic complete response using pre-treatment magnetic resonance imaging only. The training cohort comprised 1,506 patients from multiple institutions in the United States, while evaluation was conducted on an external test set of 574 patients from three independent European centers to assess cross-continental and cross-institutional generalization. A unified scoring framework combined predictive performance with subgroup consistency across age, menopausal status, and breast density. Twenty-six international teams participated in the final evaluation phase. Results demonstrate substantial performance variability under a common external evaluation framework and reveal trade-offs between overall accuracy and subgroup fairness. The challenge provides standardized datasets, evaluation protocols, and public resources to promote the development of robust and equitable artificial intelligence systems for breast cancer imaging.

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

DeceptionX: Explainable Deception Detection with Multimodal Large Language Models

Deception detection is a critical and highly challenging task within affective computing and behavioral analysis. Existing deep learning methods typically treat this task as a straightforward classification problem; however, this black-box approach lacks interpretability and fails to capture the complex logical deduction processes utilized by human experts when identifying lies. While Multimodal Large Language Models (MLLMs) have shown potential, applying them effectively requires a bridge between low-level audiovisual cues and high-level logical reasoning. In this paper, we propose DeceptionX, a novel MLLM framework that shifts the paradigm of deception detection from black-box classification to an interpretable Observe-Think-Summarize reasoning process. To address the scarcity of high-quality reasoning data, we first constructed DeceptChain, a high-quality dataset developed through a human-in-the-loop process. This dataset synthesizes fine-grained visual and auditory evidence (such as micro-expressions and vocal tremors) into structured chain-of-thought reasoning data. Furthermore, we propose a three-stage training pipeline and a Discrepancy-Aware Redundancy Elimination~(DARE) strategy for DeceptionX to further enhance the model's generalization capabilities. Extensive experiments demonstrate that DeceptionX not only outperforms existing MLLM baselines and state-of-the-art methods on standard real-world benchmarks but also provides transparent, expert-level reasoning paths, bridging the critical gap between accuracy and interpretability in multimodal deception detection.

16.
arXiv (CS.AI) 2026-06-24

A Benchmark for Hallucination Detection in VLMs for Gastrointestinal Endoscopy

arXiv:2606.24115v1 Announce Type: cross Abstract: Vision-language models (VLMs) are prone to hallucination, which remains a major barrier to their safe deployment in clinical practice. To date, most hallucination detection methods have been evaluated on radiology benchmarks such as MIMIC-CXR and VQA-RAD, while gastrointestinal (GI) endoscopy remains largely underexplored. In this paper, we benchmark nine hallucination detection methods on the Gut-VLM dataset, a GI diagnostic Visual Question Answering (VQA) dataset with 4,392 test VQA pairs, across five VLMs (MedGemma-4B, MedGemma-27B, LLaVA-Med-7B, LLaVA-v1.6-7B, and Lingshu-32B). The methods span three categories: black-box methods (RadFlag, SelfCheckGPT-NLI), gray-box methods (AvgProb, AvgEnt, MaxProb, MaxEnt, Semantic Entropy, and VASE), and a white-box method (ReXTrust). Our results show that ReXTrust, a white-box method, achieves the highest AUC across all five models, outperforming the strongest alternative method on each VLM by a statistically significant margin (paired permutation test, p < 0.001 in all cases), reaching a peak AUC of 93.0 on MedGemma-4B. White-box hidden-state access provides a consistent advantage of 19.5 AUC points on average (range: 9.5–33.5), with ReXTrust maintaining strong performance even on LLaVA-v1.6-7B (AUC 79.9), where black-box methods and clustering-based gray-box methods collapse to near-chance performance. Among non-white-box methods, token-level gray-box statistics (MaxEnt, MaxProb) are the strongest alternatives, outperforming both clustering-based gray-box methods (Semantic Entropy, VASE) and black-box approaches on average. We further identify confident confabulation, a failure mode in which models hallucinate with high inter-sample consistency or high token-level probability, as a systemic failure for both consistency and uncertainty-based methods.

17.
arXiv (quant-ph) 2026-06-24

A high-fidelity two-qubit gate for multimode superconducting P-mon qubits

arXiv:2606.24772v1 Announce Type: new Abstract: To scale superconducting quantum processors, it is essential to achieve long coherence times while engineering interactions that do not introduce additional decoherence channels. In superconducting qubit systems, this can be realized using multimode circuits that feature a protected qubit mode alongside a distinct mediator mode. Building on this concept, our recently developed P-mon qubit provides intrinsic protection against decoherence from the readout environment. We extend this approach to controlled two-qubit interactions, by exploiting the mediator modes of P-mons for on-demand coupling. Because direct interactions between the qubit modes are strongly suppressed, unwanted $ZZ$-type interactions are significantly reduced to below $3.6(5)~kHz$ in the idle state. When tuning the coupled mediator modes on resonance, the cross-Kerr interaction between the qubit and the hybridized mediator modes leads to a qubit-state dependent frequency shift. By selectively addressing these transitions, we implement a $180~ns$ long CZ gate and determine a fidelity of $99.62(4)~%$. These results represent a significant step toward a scalable superconducting architecture that maintains high performance at scale.

18.
arXiv (quant-ph) 2026-06-24

Generalised simultaneous transmission of arbitrary quantum states and classical information

arXiv:2606.03181v3 Announce Type: replace Abstract: We present a protocol which allows for arbitrary optical quantum states to simultaneously carry and transmit classical data, without sacrificing the integrity of either the quantum or classical information. Our scheme encodes classical information via displacements in the phase space prior to transmission and retrieves each classical symbol via a Gaussian continuous-variable teleportation. The original quantum state is then restored by guessing the the original displacement and performing the appropriate inverse operation. In the limit of sufficiently high classical signal and high squeezing, we show that our scheme is capable of perfectly reconstructing both the input classical signal and the input quantum state without loss of coherence. An example is given in terms of the transmission of a dual-rail Bell state.

19.
PLOS Computational Biology 2026-06-22

TCRBinder: Unified pre-trained language model with paired-chain synergy for predicting T-cell receptor binding specificity

作者:

by Weihe Dong, Qiang Yang, Long Xu, Xiaokun Li, Kuanquan Wang, Suyu Dong, Gongning Luo, Xianyu Zhang, Tiansong Yang, Xin Gao, Guohua Wang Deciphering how human T cells recognise peptide-HLA (pHLA) complexes underpins next-generation vaccines and personalised immunotherapies, yet extreme sequence diversity and paired-chains interdependence still hamper reliable in silico prediction of T-cell receptor (TCR) specificity. To overcome these hurdles, we built TCRBinder, a paired-chain-aware deep model with a multi-branch encoder that routes each molecular component through dedicated transformer-based modules to capture contextual signals in both HLA pseudo-sequences and antigenic peptides while simultaneously processing the TCR α and β chains. This design captures the synergistic interaction between paired chains to emulate peptide-HLA-TCR (PHT) interactions and expose residue-level contact motifs. Across PHT and peptide-TCR (pTCR) benchmarks, the model delivered state-of-the-art performance (AUC-ROC = 0.911, AUPR = 0.791 for the PHT task) and remained superior on multiple independent datasets. We tracked the dynamics of clonal expansion and, in a large SARS-CoV-2 repertoire containing completely unseen peptides, improved the AUC-ROC by up to 16.3% over the leading alternatives. Moreover, TCRBinder provided mechanistic insights by pinpointing contact hotspots and quantifying residue contributions to binding probability. These capabilities position TCRBinder as a versatile tool for rational antigen discovery, immunotherapy stratification, and neoantigen vaccine design.

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

Protein Design with Agent Rosetta: A Case Study for Specialized Scientific Agents

arXiv:2603.15952v2 Announce Type: replace Abstract: Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML) methods achieve strong results, these are largely restricted to canonical amino acids and narrow objectives, leaving unfilled need for a generalist tool for broad design pipelines. We introduce Agent Rosetta, an LLM agent paired with a structured environment for operating Rosetta, the leading physics-based heteropolymer design software, capable of modeling non-canonical building blocks and geometries. Agent Rosetta iteratively refines designs to achieve user-defined objectives, combining LLM reasoning with Rosetta's generality. We evaluate Agent Rosetta on design with canonical amino acids, matching specialized models and expert baselines, and with non-canonical residues – where ML approaches fail – achieving comparable performance. Critically, prompt engineering alone often fails to generate Rosetta actions, demonstrating that environment design is essential for integrating LLM agents with specialized software. Our results show that properly designed environments enable LLM agents to make scientific software accessible while matching specialized tools and human experts.

21.
arXiv (quant-ph) 2026-06-12

Approximate quantum error correction theory of non-isometric codes

arXiv:2606.13559v1 Announce Type: new Abstract: Non-isometric encoding arises in various important contexts in quantum error correction, most notably in the finite-energy, non-ideal codewords inevitable in experimental realizations of continuous-variable codes, and holographic quantum gravity. In this work, we present a general and systematic theory of non-isometric quantum error-correcting codes. In particular, we employ the approximate quantum error correction framework to quantitatively study the fundamental limitations imposed by non-isometric encodings on the accuracy of quantum error correction and implementation of logical operations. We apply our theory to analyze GKP and tiger codes under energy constraints, and discuss the implications to holography.

22.
arXiv (CS.AI) 2026-06-24

Are Safety Guarantees in Neural Networks Safe? How to Compute Trustworthy Robustness Certifications

arXiv:2606.23858v1 Announce Type: cross Abstract: A primary challenge in AI safety is the existence of adversarial examples – slightly distorted inputs that cause a neural network (NN) to misclassify. To mitigate this problem, recent research focuses on the computation of robustness certifications, which, for a given input, determine the largest distortion the input may receive without breaking the network's prediction. Robustness certifications can be interpreted as an axis-aligned hyper-rectangle (multi-dimensional intervals). Most existing approaches focus on maximizing the certification's volume, but recent intractability results prohibit the computation of volume-optimal certifications in reasonable time. We introduce the apothem measure and show how to compute apothem-optimal certifications in a linear number of calls to a NN verifier (oracle) w.r.t. the input domain's diameter. Moreover, we prove that we cannot have a volume-optimal, oracle-based algorithm, even if we discard the oracle costs. Also, we introduce dual certifications – an interval including all instances of a class – thus providing apothem-minimum upper bounds to a robustness certification. Further, we present the ParallelepipedoNN system, which we evaluate on the standard MNIST and Fashion MNIST benchmarks. A preliminary comparison with existing work on the same datasets reveals at least two-fold improvement w.r.t. the minimum edge length.

23.
arXiv (CS.AI) 2026-06-16

Consensus-based Agentic Large Language Model Framework for Harmonized Tariff Schedule Code Classification

arXiv:2606.16987v1 Announce Type: new Abstract: Accurate Harmonized Tariff Schedule (HTS) code classification is essential for customs clearance, duty assessment, trade statistics, and regulatory compliance in maritime logistics. However, exact HTS classification remains challenging because product descriptions are often short, incomplete, or ambiguous, while correct classification depends on hierarchical tariff structures, legal notes, and jurisdiction-specific rules. This paper proposes an agentic large language model (LLM) framework for Canadian 10-digit HTS code classification in smart-port and maritime logistics environments. The framework integrates multi-agent information retrieval, semantic retrieval over official tariff documents, evidence-grounded reasoning, consensus-based validation, element-wise voting across hierarchical code components, confidence estimation, and human-in-the-loop escalation. We evaluate the framework on a private dataset of 3,300 domain-expert-labeled product records collected from logistics and delivery contexts. Experimental results show that exact 10-digit classification remains difficult even for advanced LLMs, with performance decreasing from coarse chapter-level prediction to fine-grained tariff and statistical suffix assignment. These findings demonstrate the need for evidence-grounded, uncertainty-aware, and human-centered classification workflows rather than fully autonomous single-step prediction. The proposed framework supports more interpretable, accountable, and compliance-oriented HTS classification for maritime logistics and smart-port operations. Our code is available at https://github.com/Analytics-Everywhere-Lab/hts.

24.
arXiv (CS.LG) 2026-06-18

Quantifying and Auditing LLM Evaluation via Positive–Unlabeled Learning

arXiv:2606.19057v1 Announce Type: cross Abstract: Large Language Models (LLMs) are increasingly used as judges for scalable evaluation, yet such LLM–as–a–Judge systems exhibit systematic biases that are decoupled from semantic quality, most notably verbosity bias. Meanwhile, human supervision is costly and typically selective, yielding reliable positive judgments but leaving most outputs unlabelled and potentially mixed in quality. We formulate LLM evaluation under selective human supervision as a positive–unlabelled learning problem and propose a geometric auditing framework based on Partial Optimal Transport. By aligning a small set of human–verified positives with a reliable subset of unlabelled outputs in a fixed embedding space, our method identifies human–consistent preferences and corrects biased judges without retraining. Experiments demonstrate improved alignment with human preferences, increased robustness to presentation biases, and interpretable confidence estimates, offering a scalable and statistically grounded alternative to existing LLM–as–a–judge pipelines.

25.
arXiv (CS.CL) 2026-06-15

MET-Bench: Multimodal Entity Tracking for Evaluating the Limitations of Vision-Language and Reasoning Models

Entity state tracking is a necessary component of world modeling that requires maintaining coherent representations of entities over time. Previous work has benchmarked entity tracking performance in purely text-based tasks. We introduce MET-Bench, a multimodal entity tracking benchmark designed to evaluate the ability of vision-language models to track entity states across modalities. Using three domains, we assess how effectively current models integrate textual and image-based state updates. Our findings reveal a significant performance gap between text-based and image-based entity tracking. We empirically show this discrepancy primarily stems from deficits in visual reasoning rather than perception. We further show that explicit text-based reasoning strategies improve performance, yet limitations remain, especially in long-horizon multimodal tasks. We apply reinforcement learning to improve entity tracking in open-source VLMs. This yields substantial in-modality gains, but does not transfer robustly across input modalities. Our results highlight the need for improved multimodal representations and reasoning techniques to bridge the gap between textual and visual entity tracking.