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

TxBench-PP: Analyzing AI Agent Performance on Small-Molecule Preclinical Pharmacology

作者:
Hannah Le↗Ramesh Ramasamy↗Alex Urrutia↗Mahsa Yazdani↗Tim Proctor↗Kenny Workman↗

arXiv:2606.19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions. We introduce TherapeuticsBench Preclinical Pharmacology (TxBench-PP), a verifiable benchmark for small-molecule preclinical pharmacology and the first focused slice of a broader TherapeuticsBench effort across drug-discovery stages and therapeutic modalities. TxBench-PP tests whether agents can recover accurate conclusions from real-world assay data rather than memorized facts from literature. The benchmark contains 100 evaluations indexed by program stage, assay type, and task structure, spanning mechanism-of-action (MoA) and pharmacodynamic (PD) reasoning, compound-target engagement, causal target validation, developability and safety, and translational efficacy. Agents receive realistic workflow snapshots, inspect files in a coding environment, and return structured answers graded deterministically. Across 16 model-harness configurations, comprising 11 models and 4,800 trajectories, no system reliably recovered preclinical pharmacology decisions. The strongest configuration, Claude Opus 4.8 / Pi, passed 59.3\% of endpoint attempts (178/300; 95\% CI, 51.1-67.6), followed by GPT-5.5 / Pi at 55.3\% (166/300; 47.0-63.6).

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02.
arXiv (CS.CL) 2026-06-12

S-GBT: Smooth Growth Bound Tensor for Certified Robustness Against Word Substitution Attacks in NLP

作者:
Mohammed Bouri↗Mohammed Erradi↗Adnane Saoud↗

Despite recent progress in Natural Language Processing (NLP), models remain vulnerable to word substitution attacks. Most existing defenses focus on first order sensitivity and measure how much the output changes when the input is slightly perturbed. However, they ignore how this sensitivity evolves, which is described by curvature. When gradients vary sharply, models can still fail. This paper introduces the Smooth Growth Bound Tensor (S-GBT), a second order method that bounds the Hessian element-wise, for which we provide formal theoretical proofs on the resulting robustness bounds. A regularization term is added during training to minimize these bounds. This yields tighter certified robustness against word substitution attacks. The change in the output under word substitution is bounded by both a linear term and a quadratic term. S-GBT is derived for two architectures: Long Short-Term Memory (LSTM) and Convolutional Neural Networks (CNN). The method is integrated directly into the training objective. Its effectiveness is evaluated on multiple benchmark datasets. The results show that combining first and second order regularization improves certified robust accuracy by up to 23.4% compared to prior methods, while clean accuracy remains competitive. These findings indicate that controlling both the gradient and its variation is a promising direction for building more robust models.

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03.
arXiv (quant-ph) 2026-06-11

Clifford disentanglers for entanglement reduction in molecular electronic structure simulations

作者:
Longfei Chang↗Zibo Wu↗Yunzhi Li↗Haiqi Liu↗Jiajun Ren↗Mingpu Qin↗Zhendong Li↗Wei-Hai Fang↗

arXiv:2606.12056v1 Announce Type: new Abstract: Entanglement is a key bottleneck limiting the efficiency of tensor-network and quantum simulations of molecular electronic structures. Here, we systematically assess and extend Clifford disentanglers as a structure-preserving approach to entanglement reduction: they can modify the entanglement structure of qubit wavefunctions while retaining the Pauli-string form of qubit Hamiltonians. To enable a practical search over Clifford transformations, we classify Clifford operators by their action on the Schmidt spectrum across a bipartition, reducing the two- and four-qubit search spaces to 20 and 91392 representatives, respectively. Embedded in an iterative Clifford-augmented matrix product state framework, these transformations reduce the energy errors at fixed bond dimension for the molecular test cases studied and mitigate the dependence on orbital orderings and fermion-to-qubit mappings. We further show that Clifford disentanglers can also benefit quantum simulations such as the shallow-circuit variational quantum eigensolver calculations. Together, these results establish Clifford disentanglers as a useful structure-preserving entanglement-engineering tool for tensor-network and quantum simulations of molecular electronic structure, while also clarifying their correlation dependence and motivating future developments.

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

Divination by Prompt: LLM-Mediated Xuanxue on Chinese Social Media

作者:
Chuang Li↗Lixuan Wang↗Yuqi Chen↗Ze Hong↗

arXiv:2606.12418v1 Announce Type: cross Abstract: The rapid proliferation of large language models (LLMs) has produced a striking cultural practice: using conversational AI for divination. This paper offers one of the first systematic studies of LLM-mediated divination in the context of Xuanxue, an internet-native umbrella term for mystical and spiritual practices on Chinese social media. Using a mixed-methods design, we analyze 23000+ posts and comments from Xiaohongshu and conduct 32 semi-structured interviews with users and professional diviners. Users primarily consult LLMs about pragmatic concerns - romantic relationships, careers, exams, and in-game gacha draws - via two intersecting pathways: trend-driven curiosity enabled by viral visibility and zero-cost access, and event-driven anxiety under conditions of uncertainty. A defining feature is collaborative prompt refinement, which turns users into active prompt engineers. Among commenters expressing a clear stance, perceived efficacy skews positive, with "accuracy" often justified through biographical fit and retrospective confirmation, consistent with Barnum and confirmation bias. Users also develop verification practices such as repeated trials and cross-model comparison. Professional diviners, by contrast, portray LLMs as lacking the "spiritual power" required for genuine divination, reflecting both ontological commitments and economic boundary-work. We also show how participants navigate tensions between scientific and metaphysical frames when interpreting AI-generated readings. Situating these findings in anthropological and cognitive-evolutionary theories of divination, we argue that LLM divination preserves core functions of traditional practice while introducing scalability, repeatability, and prompt-driven co-production that reshape how divinatory authority is constructed and evaluated.

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05.
arXiv (CS.CV) 2026-06-19

Relighting as a Probe of Visual Priors via Augmented Latent Intrinsics

作者:
Xiaoyan Xing↗Xiao Zhang↗Sezer Karaoglu↗Theo Gevers↗Anand Bhattad↗

Image-to-image relighting requires representations that separate illumination from scene properties while preserving dense geometry, material, and photometric cues. We use this task as a probe of visual priors: unlike recognition tasks that reward invariance, relighting tests whether visual features retain the information needed for light transfer. Through a controlled generative relighting framework, we find that strong semantic encoders can degrade relighting quality, exposing a semantic–photometric trade-off between abstraction and physical fidelity. We introduce Augmented Latent Intrinsics (ALI), which balances this trade-off by fusing dense, pixel-aligned visual features into a latent-intrinsic relighting model and refining it with self-supervision on unlabeled real image pairs. ALI improves relighting quality, especially on glossy, metallic, and transparent materials, and demonstrates that generative relighting is an effective tool for quantifying what visual encoders encode about the physical world.

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

FreeBridge: Variational Schrödinger Bridges for Cellular Transition Dynamics

作者:
Xurui Wang↗Qin Ren↗Jun Ma↗Haibin Ling↗Chenyu You↗

arXiv:2606.11286v1 Announce Type: cross Abstract: High-content imaging assays quantify cellular responses to chemical and genetic perturbations, yet continuous trajectories of individual cells are unobservable because cells are chemically fixed at acquisition. Perturbation modeling therefore reduces to inferring stochastic transport between control and treated populations observed only as separate marginals. While recent generative models achieve strong end-point alignment, boundary consistency does not determine intermediate evolution: multiple stochastic processes may connect identical marginals while traversing regions unsupported by observed single-cell morphologies. We introduce FreeBridge, a Schrödinger Bridge formulation for single-cell transition modeling under endpoint-only supervision. FreeBridge defines atomic states as instance-segmented single-cell representations, establishing a fixed cellular manifold, and learns stochastic transport constrained within this geometry via empirical latent support regularization. Across BBBC021, RxRx1, and JUMP, FreeBridge maintains competitive or improved endpoint fidelity and mechanism-of-action retention under a unified evaluation protocol; on BBBC021, it further reduces intermediate support violations. These findings highlight the importance of geometric grounding for biologically interpretable perturbation dynamics. Project page: https://y-research-sbu.github.io/FreeBridge/.

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07.
arXiv (quant-ph) 2026-06-19

Many-Body Protection of Topological Edge Memory in Strong Interacting Quenches

作者:
Yuxiao Hang↗Stephan Haas↗Rishabh Jha↗

arXiv:2606.19437v1 Announce Type: cross Abstract: Quantum quenches drive edge states far from equilibrium, yet whether the memory of a topological initial state survives in a non-integrable, interacting system has remained largely unexplored. We study this question in the bond-alternating XXZ chain – an interacting Su–Schrieffer–Heeger model hosting symmetry-protected topological edge modes with markedly enhanced boundary magnetization – and analyze quenches across all combinations of single-particle and many-body initial and final Hamiltonians. The results organize by a single distinction as we rigorously establish in this work: whether the post-quench Hamiltonian is free or genuinely interacting. For a free post-quench Hamiltonian, the dynamics is solved exactly by a correlation-matrix approach; the boundary-mode return amplitude decays as $t^{-3/2}$, and initial interactions enter only through a dressed one-body density matrix. For a genuinely interacting post-quench Hamiltonian, finite-time stability bounds prove that away from local resonances the first-dimer magnetization remains stable on time windows growing as arbitrarily large powers of the inverse inter-dimer coupling. Matrix product state simulations across all four protocols show that interactions in the final Hamiltonian markedly extend finite-time boundary memory – with local suppression near the isotropic $SU(2)$ point – revealing a many-body protection mechanism in a non-integrable system where scrambling would otherwise wash out initial-state memory fast.

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08.
arXiv (CS.CV) 2026-06-12

SemanticXR: Low Power and Real-time Queryable Semantic Mapping with an Object-Level Device-Cloud Architecture

作者:
Rahul Singh↗Devdeep Ray↗Connor Smith↗Sarita Adve↗

Semantic mapping is a core service that enables grounded interactions in emerging Extended Reality (XR) applications such as AI assistants and spatial object search. Deploying this capability on mobile XR devices requires a system that is open-vocabulary, real-time, and low-power. Existing approaches are compute-intensive and assume server-class resources. Cloud offloading offers a practical path, but no existing system splits semantic mapping across the device-cloud boundary or manages its communication, execution, and memory footprint. We present SemanticXR, the first device-cloud system for real-time, open-vocabulary semantic mapping and querying under XR power, bandwidth, and memory constraints. Our key insight is to elevate semantically identifiable objects to first-class units of communication, execution, and memory across the device and server. On the server, object-level parallelism and geometry downsampling improve mapping latency, while object-level depth-mapping co-design reduces upstream bandwidth. On the device, an object-level sparse local map with incremental updates and update prioritization enables network-robust querying with bounded memory and downstream bandwidth. Object-level configurable resource usage vs. quality trade-offs let applications and the system adapt mapping to application requirements and operating conditions, respectively. Against a device-cloud baseline with the same perception models, object-level organization improves server-side mapping latency by 2.2X at equal semantic quality. Depth-mapping co-design maintains upstream bandwidth under 2.5 Mbps. On the device, SemanticXR sustains sub-100 ms query latency for up to 10,000 objects even under network drops, supports tens of thousands of objects within 500 MB, and scales downstream bandwidth with map changes, not total scene size. The system adds only 2% device power during normal operation.

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09.
bioRxiv (Bioinfo) 2026-06-12

ProMiSE: Protein Multi-State Evaluation Benchmark in Biological Contexts

作者:
Ku↗Kim↗Park↗Seok↗

Proteins are inherently dynamic, with biological functions often emerging from transitions between multiple conformational states. While recent breakthroughs have largely addressed the static structure prediction problem, no systematic benchmark exists to demonstrate how well current models capture functionally relevant dynamics. We introduce ProMiSE, the first benchmark that provides both a dataset and an evaluation scheme, based on native biological assemblies and integrating major conformational change mechanisms - intrinsic, ligand-induced, and protein-induced - within a single curated dataset. We conducted a comprehensive evaluation of state-of-the-art structure prediction models, including AlphaFold3 and recent generative approaches. Our findings reveal that current models exhibit a limited ability to sample intrinsic multi-states and are often insensitive to biological context in induced scenarios. Internal representation analysis suggests that training-data exposure can shift predictions toward dominant conformational states over alternative biologically relevant states, primarily at the structure module. In contrast, results from BioEmu indicate that reducing decoding-stage bias can substantially improve multi-state sampling without major changes to upstream pair representations.

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10.
arXiv (CS.LG) 2026-06-15

XRDiff: Crystal Structure Prediction from Powder X-Ray Diffraction Data Using Diffusion Models

作者:
Nofit Segal↗Mingda Li↗Benjamin Kurt Miller↗Rafael G\'omez-Bombarelli↗

arXiv:2606.14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science. PXRD is an accessible and widely used characterization technique, yet recovering the atomic structure from diffraction data requires solving an underdetermined inverse problem due to the loss of phase information. Generative modeling can provide a prior over atomic structure and learn the mapping from PXRD patterns to crystal structures via simulated structure-spectrum pairs. We present XRDiff, a diffusion model that recovers crystal structures from PXRD given either the stoichiometry or, in a more challenging setting, the elemental constituents and total number of atoms in the unit cell. We evaluate on datasets where each stoichiometry has multiple polymorphs and all polymorphs of a given composition are held out together, ensuring that high performance reflects genuine use of the diffraction signal. XRDiff achieves strong structure recovery rates on simulated benchmarks, indicating that the model learns a spectrum-to-structure mapping precise enough to differentiate between polymorphs. To address generalization to experimental data, we compare a full-spectrum encoding against an encoding based on peak descriptors. The peak-based encoding generalizes substantially better, outperforming even a model trained on full spectra with augmentations fitted to the experimental noise distribution. These results demonstrate that representations robust to the noise and artifacts present in real-world PXRD offer a practical and scalable path toward closing the simulation-to-experiment gap, enabling zero-shot crystal structure solution from experimental PXRD with full or partial chemical composition input.

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

Machine-learning-based multipoint optimization of fluidic injection parameters for improving nozzle performance

作者:
Yunjia Yang↗Jiazhe Li↗Yufei Zhang↗Haixin Chen↗

arXiv:2409.12707v2 Announce Type: replace-cross Abstract: Fluidic injection offers a promising solution to improve the performance of the overexpanded single expansion ramp nozzles (SERNs) during vehicle acceleration. However, determining the injection parameters that yield the best overall performance across multiple nozzle operating conditions remains a challenge. The gradient-based optimization method requires gradients of injection parameters at each design point, which can lead to high computational costs when using computational fluid dynamics (CFD) simulations. This paper uses a pretrained neural network to replace CFD during optimization, enabling quick calculation of the nozzle flow field at multiple design points. Considering the physical characteristics of the nozzle flow field, a prior-based prediction strategy is adopted to enhance the model's accuracy. In addition, the neural network's back-propagation algorithm computes gradients quickly by running the computation only once, thereby greatly reducing gradient computation time compared to the finite difference method. As a test case, the average nozzle thrust coefficient of an SERN at seven design points is optimized, resulting in a 1.14\% improvement. The time cost is greatly reduced compared with traditional optimization methods, even when the time required to establish the training database is included.

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

Unified Multimodal Model for Brain MRI Imputation and Understanding

作者:
Zhiyun Song↗Che Liu↗Tian Xia↗Avinash Kori↗Wenjia Bai↗

Multimodal large language models (MLLMs) hold great potential for medicine, as they inherit knowledge from LLM and allow multiple data modalities to be integrated, analysed and interpreted in natural language. However, the field of medical MLLMs is constrained by non-trivial challenges, notably the scarcity of high-quality training data and the frequent occurrence of missing data in the real-world clinical setting. Here, we propose a novel unified multimodal model, UniBrain, for brain magnetic resonance image (MRI) analysis. To address potential missing brain MRI modalities, we employ a unified training strategy to perform joint imaging modality imputation and brain image understanding. During training, an interleaved and description-enriched data flow is constructed to train the model in an autoregressive manner, enabling medical reasoning with generated multimodal data. A self-alignment strategy is introduced to leverage dense image embeddings to learn fine-grained anatomical features without requiring detailed image captions. Furthermore, we propose a dynamic hidden state mechanism to alleviate the exposure bias during long-context multimodal inference. Extensive experiments on multi-disease brain MRI dataset demonstrate that UniBrain achieves high performance for brain image imputation, understanding, and disease diagnosis under various extents of modality incompleteness.

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

Optimal Toffoli-Depth Multi-Controlled Toffoli Decomposition in 2D Qubit Layout

作者:
Anik Basu Bhaumik↗Suman Dutta↗Anupam Chattopadhyay↗

arXiv:2606.15113v1 Announce Type: new Abstract: The multi-controlled Toffoli (MCT) gate is a key primitive in quantum arithmetic, oracle construction, and quantum cryptanalysis. Although recent work has established optimal Toffoli-depth MCT decompositions under all-to-all qubit connectivity, their realization on near-term quantum hardware with restricted qubit connectivity remains largely unexplored. While general-purpose quantum mappers can route arbitrary circuits, they do not explicitly exploit the repeated interaction patterns inherent in MCT decompositions. In our present paper, we study architecture-aware mappings of optimal Toffoli-depth MCT decompositions onto restricted two-dimensional qubit layouts. We begin with a structured geometric placements that preserve the parallelism of state-of-the-art Toffoli and MCT decompositions with no additional depth overhead. We further introduce a motif-based packing framework in which decomposition layers are represented by interaction motifs derived from basic Toffoli gates. By embedding these motifs vertex-disjointly into hardware graphs, we characterize the minimum-size topologies supporting the required qubit resources and derive explicit bounds on the resulting depth overhead under tight qubit budgets. Finally, we compare these bounds with routing-aware placement heuristics and empirically evaluate the effectiveness of embedding different motifs across a range of hardware topologies.

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14.
arXiv (CS.CL) 2026-06-11

On the Optimal Reasoning Length for RL-Trained Language Models

作者:
Daisuke Nohara↗Taishi Nakamura↗Rio Yokota↗

Reinforcement learning substantially improves reasoning in large language models, but it also tends to lengthen chain-of-thought outputs and increase computational cost. Although length-control methods have been proposed, the length-accuracy relationship they induce remains unclear. We train policies with several length-control methods on multiple base models in a controlled setup and find that, across both mathematical reasoning and code generation, accuracy is non-monotonic in output length, peaking at an intermediate value. Mode accuracy, however, continues to improve with length even in settings where sample accuracy plateaus or declines, indicating that the non-monotonic length-accuracy relationship is driven by dispersion around an increasingly correct center.

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

AdaSR: Adaptive Streaming Reasoning with Hierarchical Relative Policy Optimization

作者:
Junlong Tong↗Wenqi Xu↗Yingqi Fan↗Anhao Zhao↗Xuan Lu↗Yang Tan↗Xiaoyu Shen↗

Large reasoning models typically follow a read-then-think paradigm: they observe the complete input, reason over a static context, and then produce the answer. Yet many real-world scenarios are inherently dynamic, such as audio and video stream, where information arrives as a continuous stream and models must reason, update, and respond under partial observations. Recent streaming reasoning methods allow models to think while reading, but they largely rely on supervised imitation of pre-constructed trajectories, which limits their flexibility. In this paper, we propose AdaSR, an adaptive streaming reasoning framework that enables models to reason during input streaming and perform final deliberation once the stream is complete, learning when to think, and how much computation to allocate across different stages. To optimize this hierarchical reasoning process, we introduce Hierarchical Relative Policy Optimization (HRPO), which decomposes policy optimization into streaming reasoning and deep reasoning phases, providing more fine-grained advantage assignment instead of uniformly distributing a single sequence-level advantage over all tokens. HRPO integrates format, accuracy, and adaptive thinking rewards to enforce valid reasoning protocols, preserve final task performance, and encourage latency-aware computation allocation. Experiments show that AdaSR achieves a better balance among reasoning accuracy, computational efficiency, and streaming latency compared with supervised fine-tuning baseline. We release our code at https://github.com/EIT-NLP/StreamingLLM/tree/main/AdaSR.

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16.
arXiv (quant-ph) 2026-06-12

Multi-entropy in heavy local quenches

作者:
Kosei Fujiki↗Kenya Tasuki↗

arXiv:2606.12526v1 Announce Type: cross Abstract: We study the time evolution of tripartite entanglement in heavy local quenches in two-dimensional holographic conformal field theories. Our diagnostic is the genuine multi-entropy of adjacent intervals, computed from both bulk and boundary perspectives. A perturbative bulk analysis shows that the first-order small-mass perturbation around the vacuum geodesic network cancels identically at any time after the quench. In the fully back-reacted geometry, a vacuum-subtracted genuine multi-entropy arises from a mismatch between the winding selected by the trivalent geodesic network and the windings selected independently by the pairwise geodesics. In the sharp quench limit, the time dependence of genuine multi-entropy is kinematically fixed to logarithms of rational functions of time and is independent of the heavy operator dimension. The CFT calculation reproduces the same formula within the heavy-light vacuum block approximation, where the branch choice in the heavy-background uniformization map corresponds to the winding selection in the bulk. These results indicate that, in this setup, the genuine multi-entropy is controlled by global saddle selection, rather than by a local energy response or quasiparticle propagation.

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

On the Poisson Follower Model

作者:
Natasa Dragovic↗Francois Baccelli↗

arXiv:2309.04864v5 Announce Type: replace Abstract: We introduce a stochastic geometry dynamics inspired by opinion dynamics that captures the essence of modern asymmetric social networks with leaders and followers. Points in the Euclidean space represent opinions, and the leader of an agent is the one with the closest opinion. In this dynamics, each follower updates its opinion by halving the distance to its leader. We demonstrate that this simple dynamics and its iterations exhibit several interesting purely geometric phenomena related to the evolution of leadership and opinion clusters, which resemble those observed in social networks. We also show that when the initial opinions are randomly distributed as a stationary Poisson point process, the spatial frequency of each of these phenomena can be expressed through an integral geometry formula involving semi-algebraic domains. Finally, we analyze numerically the limiting behavior of this follower dynamics. In the Poisson case, the agents fall into two categories: ultimate followers, who continue updating their opinions indefinitely, and ultimate leaders, who adopt a fixed opinion after a finite time. Spatial discrete event simulations support all our findings.

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

The FID Lottery: Quantifying Hidden Randomness in Generative-Model Evaluation

作者:
Nicolas Dufour↗Alexei A. Efros↗Patrick P\'erez↗

The Frechet Inception Distance (FID) is the de facto arbiter of image generation, yet most papers report just a single number from a single trained model using a single sampling seed. How reproducible is that number if we retrain the model, or merely resample from it? In this paper, we treat FID as a random variable on a two-axis panel of training and generation seeds, and measure its variance directly on several hundred SiT networks trained on class-conditional ImageNet 256x256. We report surprising findings: (a) Retraining the model using the same recipe with a different seed moves FID 3.2x more (in Inception feature space) than redrawing samples from a fixed network. (b) That gap is driven by three factors: random initialisation, data ordering, and the per-step Gaussian noise of the flow-matching loss. (c) Increasing compute or model size barely tightens the spread, holding the FID coefficient of variation (CoV) inside a 1-2% band. (d) Per-cell classifier-free-guidance tuning halves the spread but reshuffles which seeds work best, and a lucky training seed reaches the same FID with up to 2x less compute than an unlucky one. Based on these findings, we recommend a new FID evaluation protocol: evaluate under per-cell optimal guidance, treat any FID gap below the empirically measured ~1.3% CoV as inconclusive, and report an error bar over several training seeds rather than a single FID number.

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19.
arXiv (CS.CL) 2026-06-16

Rethinking the Role of Efficient Attention in Hybrid Architectures

作者:
Ziqing Qiao↗Yinuo Xu↗Chaojun Xiao↗Zhou Su↗Zihan Zhou↗Yingfa Chen↗Xiaoyue Xu↗Xu Han↗Zhiyuan Liu↗

Modern language models increasingly adopt hybrid architectures that combine full attention with efficient attention modules, such as sliding-window attention (SWA) and recurrent sequence mixers. However, how these efficient modules shape model capabilities remains poorly understood. To address this gap, we conduct a systematic analysis across hybrid architectures from three perspectives: scaling behavior, mechanism analysis, and architecture design. First, from a scaling perspective, we find that efficient-attention design primarily affects how fast long-context capability emerges, while different hybrids eventually converge to comparable long-context performance under sufficient training. Second, mechanistically, we show that long-range retrieval is mainly carried by full attention, whereas efficient attention shapes its optimization trajectory. This explains a counter-intuitive phenomenon we call Large-Window Laziness: larger SWA windows can delay the formation of retrieval heads in full-attention layers. Third, guided by this mechanism, we show that applying NoPE to only the full-attention layers of a small-window SWA hybrid substantially improves long-context performance with negligible impact on short-context performance.

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20.
bioRxiv (Bioinfo) 2026-06-14

Systematic AI-Driven Drug Repurposing via Clinical Trial Data Mining: A Framework and Six Cross-Therapeutic Case Studies.

作者:
Gote↗

Drug repurposing, the application of approved or shelved compounds to new therapeutic indications, offers a cost- and time-efficient alternative to de novo drug discovery. However, the systematic identification of repurposing candidates from the rapidly expanding body of clinical trial data remains a significant challenge. Here we present a publicly accessible AI-powered tool that mines the ClinicalTrials.gov registry to identify approved drugs with under-explored therapeutic potential in high-value disease areas. The tool integrates natural language processing, mechanism-of-action pathway analysis, and trial density scoring to surface candidates where biological plausibility is high and clinical trial coverage is sparse. We demonstrate the tool's utility across six cross-therapeutic case studies spanning oncology, cardiology, neurology, rare diseases, immunology, and infectious disease. Key findings include: the identification of Zonisamide as an under-explored combination candidate for obesity alongside GLP-1 receptor agonists; mechanistic validation of SGLT2 inhibitors in heart failure with preserved ejection fraction (HFpEF); and a novel cross-domain mapping of anti-TNF biologics to early-stage neurodegeneration via shared neuroinflammatory pathways. The tool is freely accessible and designed to lower the barrier for academic and industry researchers to systematically pursue repurposing opportunities.

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21.
arXiv (CS.CV) 2026-06-16

V2P-Manip: Learning Dexterous Manipulation from Monocular Human Videos

作者:
Kaihan Chen↗Yanming Shao↗Haifeng Ji↗Xiaokang Yang↗Yao Mu↗

Achieving autonomous robotic dexterous manipulation requires precise, human-like action sequences at scale. As a scalable supplement to costly teleoperation data, extracting trajectories with both visual fidelity and physical plausibility from monocular videos represents a promising frontier in embodied AI. To this end, we introduce V2P-Manip, an efficient framework designed to learn dexterous manipulation policies directly from human demonstration videos. We establish an efficient, integrated pipeline encompassing 3D asset acquisition, trajectory estimation, and dexterous policy learning. To bridge the gap between visual perception and physical constraints, we introduce a two-stage refinement process to enforce spatial alignment and physical consistency. Evaluations on the TACO and OakInk benchmarks demonstrate that our approach significantly outperforms previous methods in pose accuracy, adaptability to unstructured environments, and training efficiency. Ultimately, experimental results confirm an average success rate of over 75% across multiple synthetic manipulation tasks and validate the adaptability of the extracted manipulation priors across diverse dexterous hand embodiments.

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22.
arXiv (CS.CL) 2026-06-18

ToolGrad: Efficient Tool-use Dataset Generation with Textual "Gradients"

作者:
Zhongyi Zhou↗Kohei Uehara↗Haoyu Zhang↗Jingtao Zhou↗Lin Gu↗Ruofei Du↗Zheng Xu↗Tatsuya Harada↗

Prior work synthesizes tool-use LLM datasets by first generating a user query, followed by complex tool-use annotations like depth-first search (DFS). This leads to inevitable annotation failures and low efficiency in data generation. We introduce ToolGrad, an agentic framework that inverts this paradigm. ToolGrad first constructs valid tool-use chains through an iterative process guided by textual "gradients", and then synthesizes corresponding user queries. This "answer-first" approach led to ToolGrad-500, a dataset generated with more complex tool use, lower cost, and almost 100% pass rate. Experiments show that ToolGrad models outperform those trained on expensive baseline datasets and proprietary LLMs. The ToolGrad source code, dataset, and models are available at https://github.com/zhongyi-zhou/toolgrad.

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23.
arXiv (CS.AI) 2026-06-15

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

作者:
Hexuan Yu↗Chaoyu Zhang↗Heng Jin↗Shanghao Shi↗Ning Zhang↗Y. Thomas Hou↗Wenjing Lou↗

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.

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

Rational Sparse Autoencoder

作者:
Naiyu Yin↗Yue Yu↗

arXiv:2606.14990v1 Announce Type: cross Abstract: Sparse autoencoders (SAEs) are standard tools for mechanistic interpretability, but current SAE families are constrained by fixed encoder nonlinearities such as ReLU, JumpReLU, and TopK. This hard-codes a particular sparsity mechanism into the model and can distort the reconstruction-versus-sparsity trade-off. We introduce the Rational Sparse Autoencoder (RSAE), which replaces the fixed encoder activation with a trainable rational function. Rational activations are flexible enough to uniformly approximate the activation primitives used by existing SAE families on compact domains (for TopK, the thresholded gate obtained after a separating top-k threshold is supplied), while also providing a richer function class for adapting to the observed pre-activation geometry. We realise this idea through a two-stage pipeline: an initialisation procedure that copies the pre-trained baseline SAE weights, plugs in rational coefficients obtained by the relaxed Remez exchange on synthetic data, and calibrates the scale parameters along with the rational coefficients; followed by a fine-tuning step under the standard sparsity-regularised reconstruction objective. Empirically, on residual-stream activations of three open-weight language models and across all three baseline activation families, the RSAE strictly improves on it after the fine-tuning step, both on reconstruction-side metrics and on downstream-behaviour metrics, without sacrificing feature-level interpretability under sparse probing. These gains are consistent across host language models, across baseline activation families, and across the full range of baseline sparsity we tested, while the upgrade itself adds only a handful of scalar parameters per autoencoder and runs in minutes on a single consumer GPU.

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25.
medRxiv (Medicine) 2026-06-15

Evaluation of AI-Generated Synthetic Data for Clinical Research in Secondary Cardiovascular Prevention among Dyslipidemia Patients

作者:
Bonomi↗Werba↗J. P↗Saccani↗Lu↗L. L↗Coser↗Franchi↗Valsecchi↗Teruzzi↗Terragni↗Centenaro↗…

Background: Access to high-quality clinical data is essential for advancing medical research and developing effective medical statistical and Artificial Intelligence models. However, privacy regulations and logistical barriers often hinder timely access to real-world data. Synthetic data offer a promising solution, preserving the statistical characteristics of original datasets while protecting patient privacy. Objectives: This study investigates the use of synthetic data for secondary cardiovascular prevention in patients with dyslipidemia, using two real-world datasets from Centro Cardiologico Monzino. Methods: Given the high dimensionality and limited sample size of the datasets, we employed a custom generative framework based on Large Language Models (LLMs). Pre-trained LLMs were fine-tuned on original clinical records to synthesize tabular data replicating source-data distributions. Fine-tuning was performed within the Centro Cardiologico Monzino's secure infrastructure to ensure data sovereignty. We evaluate clinical utility and privacy using fidelity and privacy metrics, identifying the optimal generative model and benchmarking against traditional anonymization methods. Results: Synthetic data achieved a superior trade-off than classically anonymized datasets. Real and synthetic datasets showed strong agreement, with significant distributional differences limited to few variables. Models trained on synthetic data replicated key associations from the original dataset, including therapy modification and creatine phosphokinase as predictors of SAMS, and pharmacological intensity as the main driver of LDL-C reduction. Conclusions: Results support the feasibility of using synthetic data as a proxy for real-world datasets in exploratory analyses and model development. Despite slight attenuation of some effect sizes, preserved clinical relationships reinforce the validity of synthetic data in medical research.

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