Academic Intelligence · Curated Daily

探索全球前沿学术脉络

AcademicHub 汇聚顶级期刊与预印本平台的实时文献。定制您的专属科研雷达,利用大语言模型自动生成交叉领域文献分析简报。

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

What Should a Streaming Video Model Remember?

Streaming video understanding models must answer queries at any moment during an ongoing stream, using only what they have observed so far and under fixed memory and computation budgets. Existing methods address this by adding memory banks, retrieval modules, or visual token compression to preserve long-range history. However, strong recent-window baselines show that indiscriminate history injection can dilute current-scene perception, suggesting that the key challenge is not whether to use memory, but how to allocate it selectively. We formulate this as budgeted online latent evidence allocation and propose SelectStream, a selective latent-memory framework that keeps the current observation directly visible to a frozen VLM while exposing historical information only through a compact, query-conditioned evidence budget. Three coordinated mechanisms govern when to write, what to preserve, and how to retrieve: surprise-driven adaptive windowing, priority-preserving consolidation, and query-conditioned graph reasoning over a fixed-capacity latent memory graph. Retrieved evidence is calibrated and injected as latent tokens for answer generation, without replaying frames or growing the context with stream length. Experimental results show that SelectStream achieves strong online streaming performance and preserves general video understanding, reaching 82.67\% on StreamingBench, 67.03\% on OVO-Bench, and 74.4\% average accuracy on offline video benchmarks, while outperforming strong recent-window baselines and prior streaming memory methods.

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

LaWAM: Latent World Action Models for Efficient Dynamics-Aware Robot Policies

arXiv:2606.15768v1 Announce Type: cross Abstract: Vision-Language-Action models (VLAs) leverage large-scale vision-language pretraining for semantic robot control, but often lack explicit foresight into how robot actions change the scene. World-Action Models (WAMs) address this limitation by conditioning policies on predicted futures, yet existing approaches typically rely on computationally expensive video generation with substantial pixel-level redundancy. We present LaWAM, a Latent World Action Model that exposes predictive dynamics to robot policies through compact latent visual subgoals instead of reconstructed future video. At the core of LaWAM is a latent-action-conditioned Latent World Model (LaWM). We obtain LaWM by training a latent action model in the latent space of a pretrained vision foundation model and repurposing its forward decoder to predict future observation features for scene evolution. LaWAM then conditions action generation on these predicted latent visual subgoals to enable dynamics-aware robot control. LaWAM achieves state-of-the-art or competitive success rates (SRs) across LIBERO (98.6% SR), RoboTwin (91.22% SR), and real-world manipulation tasks while retaining low-latency inference. LaWAM runs in 187 ms per action-chunk prediction and achieves up to 24x lower wall-clock latency than pixel-space WAMs.

03.
arXiv (CS.CV) 2026-06-11

ISAP-3D: Identity-Slot Aligned Part-Aware 3D Generation

Part-aware 3D generation aims to synthesize structured objects with semantically meaningful components, yet often suffers from structural ambiguity due to identity-layout entanglement. Existing methods either infer part identity and spatial layout implicitly, which can lead to unstable part allocation (e.g., slot swapping or part merging), or rely on strong layout conditions that are difficult to obtain in practice. We attribute this ambiguity to identity-slot permutation freedom: without explicit identity-slot alignment, the correspondence between semantic parts and generation slots is not identifiable during training, allowing multiple slot assignments to fit the same supervision and leading to inconsistent decomposition. Based on this insight, we argue that stable part-aware generation requires identity-aligned one-to-one slot modelling. We therefore propose an identity-slot aligned framework, ISAP-3D, which anchors each part with semantic identity tokens and performs identity-conditioned one-to-one layout prediction, followed by layout-conditioned geometry synthesis. Structured local-global conditioning maintains identity alignment across semantic, spatial, and geometric stages. We also construct a part-level dataset with a unified semantic protocol to enable learnable and consistent identity-slot alignment. Extensive experiments demonstrate improved structural stability, controllability, and robustness over state-of-the-art part-aware generation baselines.

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

Greed Is Learned: Visible Incentives as Reward-Hacking Triggers

arXiv:2606.16914v1 Announce Type: new Abstract: Deployed agents increasingly act with their reward proxy in view, such as a balance, score, or KPI dashboard. We show that reinforcement learning can make a policy addicted to such a visible self-benefit channel. It chases the displayed payoff across held-out domains, sacrifices the true task to do so, and follows the channel wherever we rewrite it, while policies that never saw the channel stay honest. We call this reward-channel addiction and study it in MoneyWorld, a synthetic sandbox. The addiction can flip a model's safety alignment: trained only on innocuous money tasks with no safety content, the model abandons the safe action it otherwise always takes whenever a dashboard pays for an unsafe one, and reverts to safe once the channel is hidden. This learned bribe replicates across model scales and families. Blindly optimizing super-capable, next-generation AI on KPIs or P\&L can be dangerous for alignment. Greed is learned when following such a channel pays.

05.
arXiv (quant-ph) 2026-06-17

Variational Quantum Eigensolver-Based Quantum Bootstrap Embedding for Molecules

作者:

arXiv:2606.17095v1 Announce Type: cross Abstract: Simulating strongly correlated molecular systems on near-term quantum hardware remains challenging due to modern hardware's limited quantum volume and moderate-fidelity qubits. One potential way to circumvent this challenge is through bootstrap embedding (BE). Bootstrap embedding breaks molecules into smaller fragments that are then embedded into the "bath" of other fragments in an iterative way. Bootstrap embedding is appealing for quantum simulation because fragmenting the system reduces the qubit requirements for any given fragment. In this work, we develop a quantum bootstrap embedding (QBE) workflow that uses variational quantum eigensolver (VQE) fragment solvers and study the algorithmic choices that determine the overall VQE-QBE algorithm's success. To improve efficiency, we introduce FastAdaptVQE, a sparse matrix-accelerated form of the adaptive variational quantum eigensolver (ADAPT-VQE) that replaces symbolic commutator evaluation with direct statevector linear algebra, and MatrixFreeAdaptVQE, a matrix-free extension that removes the sparse-matrix memory bottleneck that appears when treating larger fragments. We also modify the ADAPT-VQE operator selection step by replacing the purely greedy choice with a look-ahead strategy. Benchmarks on $H_4$ and $F_2$ reach chemical accuracy, within 1 kcal/mol of bootstrap embedding results using a full configuration interaction (FCI) solver. These results show that combining QBE with VQE can accurately calculate energies of molecular systems. This research lays the foundation for extending energy calculations to larger molecular systems and quantum materials on near-term quantum hardware.

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

Optimal Deterministic Multicalibration and Omniprediction

arXiv:2606.20557v1 Announce Type: new Abstract: A model is multicalibrated on a collection of group weights $G$ if it is calibrated – i.e. unbiased even conditional on its prediction – not just overall, but also after reweighting contexts by each $g \in G$. It is a useful property for many downstream applications and is a basic desideratum of trustworthy machine learning. Before this work, all predictors known to attain the minimax-optimal $\widetilde O(\varepsilon^{-3})$ sample complexity rate for $\varepsilon$-multicalibration were randomized, while deterministic predictors were known only with substantially worse sample complexity. Whether randomization is necessary for optimal sample complexity in multicalibration was explicitly asked by [CLNR26] and implicitly in several prior works. We resolve this open problem by giving a minimax-optimal multicalibration algorithm that outputs a deterministic predictor. We then generalize the algorithm to produce optimal deterministic predictors that satisfy outcome indistinguishability (OI) with respect to finite or finitely covered collections of tests. As an application, this also gives deterministic omnipredictors and panpredictors with optimal sample complexity, resolving open problems posed by [OKK25] and [BHHLZ25].

07.
arXiv (CS.CL) 2026-06-15

SuperThoughts: Reasoning Tokens in Superposition

Long Chain-of-Thought (CoT) reasoning improves LLM problem-solving but is computationally expensive due to sequential token generation. While recent works explore reasoning in continuous latent spaces to bypass discrete token generation, they often struggle with training stability and fail to scale to complex, long-horizon tasks due to lack of supervision signal. We propose SuperThoughts, which compresses pairs of consecutive CoT tokens into single latent representations and decodes two tokens per step via a lightweight Multi-Token Prediction (MTP) module. This preserves discrete token supervision at training time while doubling throughput at inference time. We finetune Qwen2.5-Math-1.5B-Instruct, Qwen2.5-Math-7B-Instruct, Qwen2.5-Math-14B-Instruct, and evaluate on MATH500, AMC, OlympiadBench, and GPQA-Diamond. With a confidence-based adaptive mechanism that falls back to standard decoding when uncertain, SuperThoughts achieves $\sim$20–30\% CoT length reduction while maintaining accuracy with minimal degradation (1-2 points accuracy drop on most tasks).

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

Semi-Supervised Noise Adaptation: Transferring Knowledge from Noise Domain

arXiv:2606.00558v2 Announce Type: replace Abstract: Transfer learning aims to facilitate the learning of a target domain by transferring knowledge from a source domain. The source domain typically contains semantically meaningful samples (*e.g.*, images) to facilitate effective knowledge transfer. However, a recent study observes that the noise domain constructed from simple distributions (*e.g.*, Gaussian distributions) can serve as a surrogate source domain in the semi-supervised setting, where only a small proportion of target samples are labeled while most remain unlabeled. Based on this surprising observation, we formulate a novel problem termed *Semi-Supervised Noise Adaptation* (SSNA), which aims to leverage a synthetic noise domain to improve the generalization of the target domain. To address this problem, we first establish a generalization bound characterizing the effect of the noise domain on generalization, based on which we propose a Noise Adaptation Framework (NAF). Extensive experiments demonstrate that NAF effectively leverages the noise domain to tighten the generalization bound of the target domain, leading to improved performance. The codes are available at https://github.com/AIResearch-Group/SSNA.

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

Vision Transformers for Face Recognition Need More Registers

Recent advances in Vision Transformers (ViTs) for face recognition (FR) have moved beyond the standard CLS-token paradigm. In this paradigm, a special classification token (CLS) is prepended to the patch embeddings and used as a representation of the input for downstream tasks. An alternative approach, Concatenated Patch Embeddings (CPE), instead leverages all patch tokens by concatenating them into a single vector, which is then projected into a compact face representation. CPE has been shown to improve recognition performance in comparison to CLS-based ones, but our qualitative analysis of attention maps showed the presence of artifacts that limit their interpretability. To address this issue, we incorporate register tokens, learnable tokens concatenated to the initial patch embeddings, and processed jointly through the ViT encoder blocks. This mechanism has been shown to produce more structured and interpretable attention maps compared to baseline ViT. We empirically demonstrate that these artifacts consistently appear across various ViT backbones, including small and large models, and that introducing register tokens effectively mitigates them. Adding four or eight registers significantly enhances interpretability, with eight registers providing the highest verification accuracies and smoothest attention structures. Our resulting model, ViT-8R, corresponds to a CPE-based ViT-B architecture augmented with eight register tokens achieves state-of-the-art performance among ViT-based FR models on large-scale IJB-B and IJB-C benchmarks. Also, ViT-8R produces substantially clearer attention maps compared with the baseline model, which offer deeper insight into the model's attention behavior (https://github.com/TaharChettaoui/ViT-FR-Registers)

10.
arXiv (CS.CV) 2026-06-18

SP-TransientBench: A Real-Captured Single Photon Perception Benchmark

Single-photon LiDAR (SPL) based on single-photon avalanche diode (SPAD) sensing enables time-resolved photon measurements with extreme sensitivity, offering unique potential for active 3D perception in photon-starved scenarios.However, real-world single photon perception remains fundamentally challenging due to unique measurement noise and complex multi-return transient phenomena, which jointly complicate geometric reconstruction and semantic scene understanding. Despite growing interest in SPAD-based sensing, existing studies are largely limited to simulated data or small-scale controlled captures. As a result, systematic evaluation of real-world single photon perception across depth estimation, multi-view reconstruction, and 3D semantic understanding remains underexplored. To bridge this gap, we introduce SP-TransientBench (STB), a real-captured multi-task benchmark for single photon perception. SP-TransientBenc comprises 10 diverse scenes and 10,297 views captured using a solid-state single-photon LiDAR at $256\times192$ resolution. Each view provides full time-of-flight histograms with multi-return behavior,standardized metadata, and calibrated camera poses for multi-view evaluation. We further provide 13-class 3D semantic annotations for selected scenes. By providing dedicated data splits and evaluation protocols for each task, STB enables consistent and reproducible benchmarking of real-world single photon perception across multiple 3D vision problems. The dataset and code will be released upon acceptance.

11.
arXiv (math.PR) 2026-06-17

Extreme value theory for geometric Brownian motion and pricing of short maturity options

作者:

arXiv:2505.08036v2 Announce Type: replace Abstract: We investigate the limiting distribution of geometric Brownian motion conditional on its running maximum taking large values. The Freidlin-Wentzell large deviations theory predicts that the conditional distribution of the sample paths converge weakly to a deterministic exponential curve. We complement this result by showing that the conditional sample paths in fact converge in strong sense, and obtain quantitative bounds on the rate of convergence. As an application of our results to financial mathematics, we obtain new closed form asymptotic formulae for the fair price of barrier options with general path dependent payoff in the short maturity limit, with quantitative error estimates. We provide exact formulae for Asian and lookback style payoffs.

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

Side-Channel Attacks Bypass Protection in 3D Printers

arXiv:2606.13952v1 Announce Type: cross Abstract: Active Motor Noise Cancellation (AMNC) ships in commercial fused deposition modeling (FDM) 3D printers as a hardware countermeasure against acoustic side-channel attacks that target intellectual property (IP). We present the first empirical evaluation of a deployed AMNC countermeasure, using a public dataset of synchronized acoustic and vibration recordings from two AMNC-equipped Bambu Lab printers across 12 object classes. AMNC fully neutralizes the acoustic channel: classification accuracy is indistinguishable from the 8.33% random baseline. The vibration channel, which AMNC does not target, still leaks. With summary statistics the leak is coarse and amplitude-driven (vibration accuracy approximately 31% pooled, 36-47% within-printer), while the waveform shape carries essentially nothing (frequency-only features at chance). A full-sequence temporal model that ingests the ordered evolution of the print raises accuracy to approximately 61%, and an order-shuffling control (approximately 33%) shows that a substantial component is genuinely sequential and tied to print progression. The leak is device-specific: a classifier trained on one printer transfers near chance to the other. We conclude that AMNC is an acoustic-only defense: vibration remains a partial, geometry-correlated side channel it does not address, but one that does not, on this dataset, support full geometric reconstruction; reconstruction-grade attacks would require the magnetic or power channels AMNC also leaves untouched. We release all code.

13.
arXiv (CS.LG) 2026-06-16

Sobolev Approximation by Fixed-Size Neural Networks with Arbitrary Accuracy

arXiv:2606.16975v1 Announce Type: cross Abstract: In this work, we investigate new activation functions for achieving arbitrary-accuracy Sobolev approximation by fixed-size neural networks. We first show that any function in $W^{2,\infty}((a,b)^d)$ can be approximated with arbitrary accuracy, measured in the $W^{1,\infty}$-norm, by a fixed-size neural network using the Elementary Universal Activation Function ($\mathrm{EUAF}$). To extend this result to $W^{s,\infty}((a,b)^d)$ for $s\in\mathbb{N}$, we introduce a smooth activation $\mathrm{DUAF}_{\infty}$ from the family of Differentiable Universal Activation Functions ($\mathrm{DUAF}_n$). We prove that any function in $W^{s,\infty}((a,b)^d)$ can be approximated with arbitrary accuracy in the $W^{s-1,\infty}$-norm by a fixed-size $\mathrm{DUAF}_{\infty}$-activated network. We further construct sigmoidal variants $\widetilde{\mathrm{DUAF}}_n$ and show that, for every $1\leq s\leq n$, fixed-size $\widetilde{\mathrm{DUAF}}_n$-activated networks still approximate any $f\in W^{s,\infty}((a,b)^d)$ with arbitrary accuracy in the $W^{s-1,\infty}$-norm. In all these results, the width and depth bounds are computed explicitly, and the proposed activations are elementary.

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

REVEAL++: Differentiable Phenotypic Grouping for Vision-Language Retinal Modeling of Alzheimer's Disease Risk

arXiv:2606.19522v1 Announce Type: new Abstract: The retina offers a noninvasive window into neurodegenerative disease, capturing subtle structural patterns associated with a risk of future cognitive decline. Vision-language alignment frameworks such as REVEAL have shown that pairing retinal fundus images with structured clinical risk narratives improves early prediction of Alzheimer's disease (AD). A key design choice in these approaches is the use of phenotypic grouping, where individuals with similar risk profiles are treated as multi-positive pairs during contrastive learning. However, existing methods operationalize phenotypic similarity as a discrete construct, relying on hard group assignments that impose rigid supervision and decouple group formation from representation learning. We propose a continuous formulation of phenotypic structure within contrastive learning. Rather than assigning samples to fixed clusters, we model inter-subject similarity as a differentiable weighting function derived from intra-modality embedding similarities in both retinal images and risk profiles. These weights define soft multi-positive relationships through a continuous aggregation operator, enabling graded supervision that reflects the spectrum nature of disease risk. We further introduce a soft-target contrastive objective that jointly learns cross-modal alignment and phenotypic structure in an end-to-end manner. Evaluated on UK Biobank retinal imaging data for incident AD prediction, the proposed framework consistently outperforms discrete group-based contrastive learning and standard vision-language baselines. By treating phenotypic similarity as a learnable, continuous signal rather than a fixed grouping rule, our approach provides a principled and robust foundation for population-scale neurodegenerative risk modeling from multi-modal retinal and clinical data.

15.
arXiv (math.PR) 2026-06-11

The Geometry of Admissible Short Selling in Discrete-Time Stochastic Portfolio Theory

arXiv:2606.11191v1 Announce Type: cross Abstract: While discrete-time Stochastic Portfolio Theory (SPT) provides a robust framework for market analysis, existing work on functional generation has predominantly focused on long-only portfolios defined on the entire unit simplex. This paper extends the geometric framework of functional generation to the broader class of bankruptcy-proof long-short portfolios defined on local market state spaces. We establish that, within this admissible setting, pseudo-arbitrage is fully characterized by the concavity of the generating function on the market state space, thereby relaxing the usual global domain requirement. A central contribution of this work is a geometric characterization of the short-selling mechanism. We prove that the presence of short selling is equivalent to the negativity of the maximal concave extension of the generating potential. This phenomenon is linked to the steepness of the logarithmic gradient as the market approaches a zero boundary nested inside the simplex. To systematically exploit this mechanism, we introduce the barycentric scaling transformation, a constructive methodology that maps classical long-only generating functions onto restricted domains to engineer admissible strategies with controlled short-selling exposure. Finally, through the analysis of specific shrunken portfolios, we identify a geometric phase transition: under suitable boundary conditions, admissible strategies exhibit a long-only core and a short-selling region in a qualitative sense (without asserting an exact partition of the state space). This provides a unified geometric perspective on relative arbitrage beyond the long-only constraint.

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

Optimizing Lithium Production Decisions under Geological, Demand, and Pricing Uncertainties: A POMDP Framework for Multi-Objective Decision Making

arXiv:2606.18598v1 Announce Type: new Abstract: Decision making in lithium production is challenging, whether from an investor's perspective or a strategic production standpoint. Determining which mines to open and when to open them involves not only geological and price uncertainties, but also complexities around the choice of extraction method, from direct lithium extraction to hard rock mining. Prior work explored models of this problem and different methods to optimize mining decisions; these models did not account for uncertainty in pricing, uncertainty in demand, or different mining technologies to extract lithium. Incorporating different pricing models and extraction technology into these models enables more robust strategies for determining not only when and where to open a mine, but also which method of production to pursue. We frame the problem as a partially observable Markov decision process (POMDP) and solve using belief state planning methods to get optimal decision making. In our study, we show that POMDP solvers outperform human inspired heuristics by dynamically adapting to shifting lithium price regimes (static, linear, exponential, and stochastic) through belief state planning and explicit uncertainty management. By optimally sequencing exploration, production, and technology choice, the framework achieves higher demand fulfillment and more balanced economic environmental outcomes over the projects lifetime in all different pricing and deposit scenarios.

17.
arXiv (CS.CV) 2026-06-11

Semantic search for 100M+ galaxy images using AI-generated captions

Finding scientifically interesting phenomena through slow manual labeling campaigns severely limits our ability to explore the billions of galaxy images produced by telescopes. In this work, we develop a pipeline to create a semantic search engine from completely unlabeled image data. Our method leverages Vision-Language Models (VLMs) to generate descriptions for galaxy images, then contrastively aligns a pre-trained astronomy foundation model with these embedded descriptions to produce searchable embeddings at scale. We find that current VLMs provide descriptions that are sufficiently informative to train a semantic search model that outperforms direct image similarity search. Our model, AION-Search, achieves state-of-the-art zero-shot performance on finding rare phenomena despite training on randomly selected images with no deliberate curation for rare cases. Furthermore, we introduce a VLM-based re-ranking method that nearly doubles the recall for our most challenging targets in the top-100 results. For the first time, AION-Search enables flexible semantic search for over 100 million galaxy images, enabling discovery from previously infeasible searches, including the identification of 36 new extragalactic stellar stream candidates. More broadly, our work provides an approach for making large, unlabeled scientific image archives semantically searchable, expanding data exploration capabilities in fields from Earth observation to microscopy. The code, data, and app are publicly available at https://github.com/NolanKoblischke/AION-Search

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

Explainable Flood Segmentation on Sentinel-1 SAR Imagery: A Comparative Study of CNN and Transformer Architectures

Rapid and accurate flood prediction is essential for disaster response and mitigation planning. Synthetic Aperture Radar (SAR) sensors in satellites are well-suited for this purpose because they operate independently of weather and daylight conditions. Although SAR-based data enable all-weather flood monitoring, distinguishing flooded land from permanent water remains a significant challenge, particularly when flooding is defined strictly as inundated land. This study provides a comprehensive comparison of convolutional neural network (CNN) and vision transformer architectures for multi-class flood segmentation using Sentinel-1 SAR imagery, specifically trained to separate flooded land from permanent water bodies and land. Three state-of-the-art (SOTA)CNN-based models, U-Net, U-Net++, and DeepLabV3 with ResNet-34 backbone, and three SegFormer variants (b0,b1,b2) were evaluated in two benchmark datasets, the ETCI NASA dataset and SenFloods11, using scene-based data splits to ensure a realistic assessment of spatial generalization. The results demonstrate that SegFormer-b2 significantly outperforms the U-Net baseline on the ETCI dataset (higher flood IoU across all 7 test scenes in the Wilcoxon signed-rank test), while after fine-tuning on Sen1Floods11, the advantage narrows to within the range of scene variability and is concentrated in spatially fragmented flood events. The study includes both qualitative and quantitative explainability techniques to visually comprehend model decisions and systematically assess prediction reliability. Qualitative analysis reveals that SegFormer-b2 produces more spatially coherent Grad-CAM activations focused on flood-relevant features, while U-Net generates more informative uncertainty estimates along flood boundaries.

20.
arXiv (CS.LG) 2026-06-19

Model soups need only one ingredient

arXiv:2602.09689v2 Announce Type: replace Abstract: Fine-tuning large pre-trained models on a target distribution often improves in-distribution (ID) accuracy, but at the cost of out-of-distribution (OOD) robustness as representations specialize to the fine-tuning data. Weight-space ensembling methods, such as Model Soups, mitigate this effect by averaging multiple checkpoints, but they are computationally prohibitive, requiring the training and storage of dozens of fine-tuned models. In this paper, we introduce MonoSoup, a simple, data-free, hyperparameter-free, post-hoc method that achieves a strong ID-OOD balance using only a single checkpoint. Our method applies Singular Value Decomposition (SVD) to each layer's update and decomposes it into high-energy directions that capture task-specific adaptation and low-energy directions that introduce noise but may still encode residual signals useful for robustness. MonoSoup then uses entropy-based effective rank to automatically re-weigh these components with layer-wise coefficients that account for the spectral and geometric structure of the model. Experiments on CLIP models fine-tuned on ImageNet and evaluated under natural distribution shifts, as well as on Qwen language models tested on mathematical reasoning and multiple-choice benchmarks, show that this plug-and-play approach is a practical and effective alternative to multi-checkpoint methods, retaining much of their benefits without their computational overhead.

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

FlowBank: Query-Adaptive Agentic Workflows Optimization through Precompute-and-Reuse

Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.

22.
bioRxiv (Bioinfo) 2026-06-11

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.

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

How Many Shots Are Enough for a Quantum Circuit?

arXiv:2606.16965v1 Announce Type: new Abstract: Quantum algorithms require repeated circuit executions, known as shots, to estimate output distributions accurately. Determining the minimal number of shots needed to meet a target accuracy is crucial to reduce costs and resource usage, especially on today's noisy and expensive quantum hardware. In this paper, we address the shot optimisation problem in a black-box setting, where no assumptions are made about the structure of the quantum circuit or the noise model of the backend. We introduce IncrementalExecution, a novel online framework that dynamically determines when to stop executing shots based on the principle of point of diminishing returns: the point at which additional shots no longer significantly alter the empirical distribution of a fixed circuit. The framework supports customisable policies for shot management, enabling flexible trade-offs between execution cost and result fidelity within static execution scenarios. We assess our proposal through an extensive experimental evaluation spanning 33,750 framework configurations across 180 unique static quantum circuit-backend combinations, for a total of 7.3M independent experiments. Unlike prior work that relies on problem-specific knowledge or algorithm-dependent assumptions (e.g., variational or adaptive workflows), our approach is applicable to a large set of static circuits and immediately deployable on current quantum cloud platforms.

24.
arXiv (math.PR) 2026-06-17

Time and Killed Resolvents in Reflected Optimal Stopping with a Max Payoff

arXiv:2606.18214v1 Announce Type: cross Abstract: We study infinite-horizon optimal stopping for normally reflected two-dimensional diffusions in the positive quadrant with max payoff \(G(x_1,x_2)=x_1\vee\alpha x_2\). The non-smooth payoff produces a singular stopping-gain measure on the kink set \(\Delta=\{x_1=\alpha x_2\}\). We prove $\displaystyle \Gamma^\Delta(dx) = -\frac{n^\top a(x)n}{2\sqrt{1+\alpha^2}}\,\sigma_\Delta(dx)$, with $n=(1,-\alpha)$, so the diagonal component is non-positive and strictly negative under local ellipticity. This implies that every interior kink point lies in the continuation region. We further show that the correct value representation uses the resolvent killed at first entry into the stopping set, $\displaystyle V=G-R_r^{\mathcal C}\Gamma$, and give a closed-form reflected Brownian counter-example showing that the unrestricted reflected resolvent is generally wrong. A reflected Brownian benchmark and numerical experiments illustrate the local-time, resolvent-gap, and diagonal-avoidance mechanisms.

25.
arXiv (quant-ph) 2026-06-12

Influence-solvability: a systematic theory of $(1+1)D$ solvability and its application to brickwork circuits

arXiv:2606.12538v1 Announce Type: cross Abstract: `Solvable' circuits, such as dual unitaries and its generalisations, have arisen as paradigmatic examples of tractable chaotic non-equilibrium dynamics, both in classical and quantum systems. However, while increasingly more complicated sufficient conditions have been proposed, a systematic theory classifying and understanding general features of solvable circuits is missing. We develop such a theory by introducing influence-solvable circuits, a class of $(1+1)D$ circuits whose influence matrix, which represents the `bath' generated by its own evolution, is given by a uniform MPS with finite bond-dimension $\chi$. This property allows for efficient computation of subsystem dynamics and essentially contains all known examples of solvable circuits. We derive a set of necessary and sufficient local conditions by using a version of the fundamental theorem of MPS for open boundary conditions. Next we apply our theory to brickwork circuits with $\chi=1$ influence-solvability and perform a systematic classification of classical brickwork circuits with local dimension up to $d=3$ and quantum brickwork circuits with $d=2$. Our search reveals new solvable circuits that are not captured by known solvability conditions.