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

Code-Augur: Agentic Vulnerability Detection via Specification Inference

arXiv:2606.18619v1 Announce Type: cross Abstract: The advent of agentic vulnerability detection is already becoming a watershed moment for software security. Audits conducted entirely by autonomous LLM agents are uncovering critical vulnerabilities in fundamental software underpinning digital society. Many of these vulnerabilities remained masked for years, surfacing only now with AI agents. Yet the reasoning behind these discoveries remains alarmingly opaque and unvalidated. What assumptions did the agent make about a function's inputs when it deemed that function to be secure? Failures in reasoning and incorrect assumptions can lead to missed vulnerabilities and reduce trust in agentic analysis. We propose a security-specification-first paradigm that (1) exposes the agent's tacit assumptions explicitly as security specifications and (2) continuously refines those specifications via runtime falsification. We realize our approach in Code-Augur, a novel harness for agentic vulnerability detection. Given a codebase, Code-Augur analyzes each component of the system for vulnerable code. When it deems a component to be secure, it commits the local invariants behind that judgment as in-source assertions. In parallel, Code-Augur leverages a guided fuzzer to attempt to falsify those assumptions. When the fuzzer triggers an assertion, this either reveals a genuine vulnerability or a flawed specification to refine. In both cases, this process grounds the agent's understanding, aligning its view of code intent with how the code actually behaves. On real-world subjects, Code-Augur effectively leverages security specifications to detect more vulnerabilities than other state-of-the-art agents. Additionally, Code-Augur found 22 new vulnerabilities in key open-source projects. Compared to curated specialized models like Claude Mythos, Code-Augur offers effective agentic vulnerability detection built on widely available LLMs like Sonnet and DeepSeek.

02.
arXiv (CS.CV) 2026-06-18

EDoF-NeRF: extended depth-of-field neural radiance fields using a coded aperture camera

We propose a method for extending the depth-of-field (DoF) to construct high-fidelity neural radiance fields (NeRF) – an emerging technique for rendering photorealistic novel views from a dataset of images captured at different viewpoints, based on implicit neural representations. The trade-off between DoF and light quantity is inherent not only in conventional cameras but also in NeRF, since the datasets used by NeRF are captured by these cameras. To address this issue, we introduce a coded aperture placed at the camera pupil, preserving spatial frequency components under defocused conditions. We develop a camera model incorporating coded apertures into NeRF, allowing direct input of coded images and enabling the generation of novel views with an extended DoF. We validate the proposed method, termed extended DoF-NeRF (EDoF-NeRF), through simulations and experiments, demonstrating its superior performance compared to conventional aperture cameras.

03.
arXiv (math.PR) 2026-06-16

Joint convergence in Wiener chaos via transport hierarchy and Malliavin covariances

arXiv:2606.14812v1 Announce Type: new Abstract: We study the joint convergence in distribution of a sequence $X_N = I_p(f_N)$ of multiple Wiener–Itô integrals of order $p\geq 2$ that converges to a Gaussian limit $Z\sim N(0,\sigma^2)$, together with another sequence $Y_N = I_q(g_N)$ converging in law. The central finding is that the joint convergence of $(X_N, Y_N)$ is completely governed by the asymptotic behavior of the iterated Malliavin covariances $Y_{r+1,N} = \langle DX_N, DY_{r,N}\rangle_H$, $r\geq 0$: joint convergence holds as soon as these covariances converge jointly with $Y_N$, and the structure of the limiting distribution is then explicitly determined by their limits. Moreover, the convergence of the Malliavin covariances is necessary for joint convergence, as shown by a counterexample. When $q

04.
arXiv (CS.AI) 2026-06-17

IUU+DB: Tracking Illegal, Unreported, and Unregulated Fishing, Seafood Fraud, and Labor Abuse through LLM-driven Information Extraction

arXiv:2606.18181v1 Announce Type: cross Abstract: Illegal, unreported, and unregulated fishing (IUU) traditionally refers to fishing activities that violate applicable laws or occur in areas that lack applicable laws. We propose the term IUU+ to capture a broader suite of fisheries sector environmental and associated supply chain trade-related crimes and behaviors. Although IUU+ activity is widely recognized as a serious threat to marine ecosystems, markets, and livelihoods, a quantitative understanding of these incidents, e.g., their frequency, geography, species, actors, and patterns in the type of illicit activity, remains difficult to obtain. We propose IUU+DB, a large language model driven system for building a global incident database of IUU+ activity. The system ingests heterogeneous documents, classifies whether they describe relevant incidents, extracts key data elements such as actors, locations, species, vessels, violations, and enforcement outcomes, and supports deduplication and trend analysis. Case studies and validation results show that IUU+DB can help organize fragmented evidence, surface geographic and behavioral hotspots, support fisheries-domain specific research in academia and non-government organizations, assist source and species risk assessments for industry, and provide support for policy implementation and targeted enforcement efforts to government agencies.

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

Neural Additive and Basis Models with Feature Selection and Interactions

arXiv:2606.19850v1 Announce Type: cross Abstract: Deep neural networks (DNNs) exhibit attractive performance in various fields but often suffer from low interpretability. The neural additive model (NAM) and its variant called the neural basis model (NBM) use neural networks (NNs) as nonlinear shape functions in generalized additive models (GAMs). Both models are highly interpretable and exhibit good performance and flexibility for NN training. NAM and NBM can provide and visualize the contribution of each feature to the prediction owing to GAM-based architectures. However, when using two-input NNs to consider feature interactions or when applying them to high-dimensional datasets, training NAM and NBM becomes intractable due to the increase in the computational resources required. This paper proposes incorporating the feature selection mechanism into NAM and NBM to resolve computational bottlenecks. We introduce the feature selection layer in both models and update the selection weights during training. Our method is simple and can reduce computational costs and model sizes compared to vanilla NAM and NBM. In addition, it enables us to use two-input NNs even in high-dimensional datasets and capture feature interactions. We demonstrate that the proposed models are computationally efficient compared to vanilla NAM and NBM, and they exhibit better or comparable performance with state-of-the-art GAMs.

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

Quantum-enabled active matter at the atomic scale

arXiv:2606.24615v1 Announce Type: new Abstract: Active matter comprises particles that extract energy from their local environment and convert it into motion. Although active particles have been miniaturized down to the nanoscale, realizing activity at the fundamentally smaller scale of individual atoms remains an open challenge, where quantum effects become increasingly relevant. Here, we experimentally demonstrate that individual Cs-133 atoms confined in an optical dipole trap extract energy from an ultracold bath of Rb-87 atoms via quantum-mechanical spin interactions and convert it into active motion. We quantitatively reproduce the resulting dynamics using a parameter-free active Langevin model derived from kinetic theory and support it with event-driven Monte Carlo collision simulations. The microscopic origin of activity is identified as quantum spin exchange, which transfers discrete internal spin energy into kinetic motion. Our work establishes a quantum-enabled route to active matter at the fundamental size limit of single atoms and opens perspectives for exploring the interplay of activity, quantum physics, and mesoscopic non-equilibrium thermodynamics.

07.
arXiv (CS.LG) 2026-06-17

Credibility-Weighted Pricing of Autonomous Vehicle Liability Under Operational Design Domain Shift

Authors:

arXiv:2606.17451v1 Announce Type: new Abstract: Automated Driving System deployments create a foundational ratemaking challenge: sparse experience, shifting operational design domains, and non-stationary risk across software releases. We propose a hierarchical Bayesian credibility framework pooling across cities, software versions, and territories via a learned ODD-similarity kernel, nesting Buhlmann-Straub as a limiting case. Demonstrated on 648 verified-engaged Waymo crashes across four U.S. metros from the NHTSA Standing General Order database against 116 million matched miles, city-aggregate credibility weights are moderate (0.12-0.46), partial pooling decisively outperforms no pooling, and a power analysis shows the learned kernel's advantage becomes detectable at approximately twelve deployed cities.

08.
arXiv (CS.LG) 2026-06-18

Latent-Conditioned Parameterized Quantum Circuits as Universal Approximators for Distributions over Quantum States

arXiv:2605.28690v3 Announce Type: replace-cross Abstract: Many applications in quantum simulation, quantum chemistry, and quantum machine learning require not a single quantum state but an ensemble of states characterizing the heterogeneity of a target system. Preparing such ensembles state-by-state is prohibitive in both variational and fault-tolerant settings, thereby motivating a generative modeling approach. We introduce latent-conditioned parameterized quantum circuits (LPQCs), a hybrid quantum-classical framework in which classical neural networks map a latent variable sampled from a prior distribution to the parameters of a parameterized quantum circuit. We prove that LPQCs are universal approximators for probability measures over density operators in the 1-Wasserstein distance, extending classical universal approximation theorems to the quantum-distribution setting. We additionally introduce a multimodal latent prior and a mixture-of-experts circuit architecture, and show empirically that the latent-conditioned parameterization alleviates the barren plateau problem during optimization, a behavior for which we provide rigorous partial guarantees. Numerical experiments validate the framework on a synthetic multi-cluster ensemble of mixed quantum states and on a QM9-derived ensemble of 3-D molecular structures. In these tasks, LPQC outperforms recent quantum generative baselines and matches the generation quality of a classical neural-network baseline, while requiring an output dimension that grows only linearly with the number of qubits rather than exponentially. By leveraging classical expressivity in the latent space, LPQCs offer a tractable route to quantum generative modeling.

09.
arXiv (CS.CL) 2026-06-25

A Red Teaming Framework for Large Language Models: A Case Study on Faithfulness Evaluation

Large language models (LLMs) have demonstrated remarkable performance across natural language processing tasks, yet their deployment in high-stakes applications raises critical concerns regarding reliability, safety, and trustworthiness. In this paper, we present a red teaming framework that systematically uncovers vulnerabilities in LLM outputs. Our approach employs a novel multi-role architecture comprising target, attacker, and jury models. The attackers generate increasingly effective adversarial prompts while the jury rigorously evaluates response accuracy and consistency across tasks. In a case study, our strategy proved particularly effective at exposing unfaithfulness in LLM responses. Exploitative adversarial prompts increased the attack success rate by up to 7.9% in question-answering tasks, revealing weaknesses in reliability. The approach identifies how structural constraints in summarization can shape vulnerability patterns, with format limitations yielding measurable gains in faithfulness, and shows that architectural design choices typically outweigh parameter scaling in determining model safety. The framework's key strength is its adaptability across evaluation tasks, from English question-answering to Arabic summarization, enabling comprehensive comparison of model vulnerabilities. While it excels at comparing cross-model and cross-linguistic vulnerabilities, it faces challenges in fully automating adversarial prompt generation across languages. Our experiments also reveal limitations in detecting subtle forms of unfaithfulness that do not manifest as explicit factual contradictions, particularly across linguistic contexts. Overall, this architecture provides both actionable insights into current LLM vulnerabilities and a scalable methodology for ongoing safety evaluation as models evolve.

10.
arXiv (CS.LG) 2026-06-25

Do Prompt-Elicited Trajectories Reflect Training-Time Reward Hacking? A Systematic Study on Monitoring Trainig-Time Reward Hacking in Code Generation

arXiv:2604.23488v2 Announce Type: replace Abstract: Reward hacking in code generation, where models exploit evaluation loopholes to obtain high reward without correctly solving the intended task, poses a critical challenge for Reinforcement Learning (RL) and the deployment of reasoning models. Existing studies often rely on explicitly prompted hacking trajectories, but it remains unclear whether monitors trained on such data can detect reward hacks that arise without direct hacking instructions during RL training. In this work, we introduce Trace-and-Amplify, a framework for scalable curation of reward-hacking trajectories that arise during RL training without explicit hacking instructions. The framework uses unit-test tracers to identify hacking solutions when they occur and retains such trajectories for monitor training and evaluation. Through controlled comparisons between monitors trained on prompt-elicited hacking trajectories and training-time reward-hacking trajectories collected by Trace-and-Amplify, we find that (1) prompt-elicited-data-trained monitors often fail to generalize to trajectories curated by our framework, and (2) monitors trained on our Trace-and-Amplify trajectories demonstrate stronger generalizability to unseen hacking types. Our results indicate that prompted reward hacking data may not fully reflect training-time reward-hacking behaviors, and that relying solely on these data can lead to misleading conclusions. Codebase is available at https://github.com/LichenLillc/CoTMonitoring.git

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

Learning QoE from Packet-Level Measurements in Encrypted Video Conferencing Traffic

The quality of the user experience has become one of the most important aspects in todays world, as it directly influences individuals willingness to continue using or abandon a product or service. In this context, video conferencing applications (VCAs), which experienced widespread adoption following the COVID-19 pandemic, must deliver excellent performance to remain competitive in an increasingly crowded market. Although content providers (CPs) such as Zoom, WhatsApp, Telegram, and Google Meet can assess conversation quality by comparing transmitted and received data. The widespread use of end-to-end encryption in VCAs makes quality-of-experience (QoE) evaluation by internet service providers (ISPs) far more challenging. Since ISPs do not have access to the encrypted content, they must rely on passive measurements of unencrypted traffic characteristics on the data path. In this work, we present a simple yet effective QoE prediction framework based on an almost stock convolutional neural network (CNN) architecture that uses only the packet sizes extracted from the communication between two participants in a video conferencing (VC) call to predict two QoE metrics: BRISQUE and MOS. The proposed framework is simple, easy to implement, and does not require high-end computational resources, yet it provides superior prediction performance, as shown in our experiments on two custom datasets collected from WhatsApp and Zoom, which achieve substantial improvements over previous models for the QoE prediction task.

12.
arXiv (CS.LG) 2026-06-24

Sakana Fugu Technical Report

arXiv:2606.21228v2 Announce Type: replace Abstract: The capabilities of frontier Large Language Models (LLMs) continue to advance, with different providers increasingly specializing in distinct domains. This raises a natural next objective: how to combine the individual specializations of various LLMs into a collectively intelligent system. To this end, we report the development of Sakana Fugu, a family of orchestrator models that harness and amplify the capabilities of an LLM agent team. Fugu models are themselves language models trained to understand user queries and dynamically devise agentic scaffolds to solve them. Through these adaptive scaffolds, Fugu accesses performance beyond any individual LLM agent, achieving state-of-the-art results compared to other publicly accessible models across a range of challenging tasks, including SWE-Bench Pro, Terminal Bench, LiveCodeBench, GPQA-Diamond, Humanity's Last Exam, and CharXiv Reasoning. We release two models: Fugu, which balances performance with latency for everyday use, and Fugu-Ultra, which prioritizes answer quality on the hardest problems. We describe our training paradigm, which encompasses large-scale fine-tuning, evolutionary algorithms, and reinforcement learning approaches, along with the infrastructure and core design principles that turn these methods into a production system. We hope this report encourages further research into multi-agent systems and dynamic, query-adaptive agentic scaffolds as a path toward the next frontier of AI capabilities, accessed through collective intelligence.

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

Better Adherence, Richer Context: A Field Evaluation of LLM-Powered Conversational Voice Diaries for Sleep

arXiv:2606.18596v1 Announce Type: cross Abstract: Sleep diaries are central to behavioral sleep medicine and cognitive behavioral therapy for insomnia, yet daily completion is difficult to sustain, and static forms often provide limited context for interpreting night-to-night sleep variation. We designed an LLM-powered conversational voice diary that delivers clinically grounded morning and evening sleep diary questions through proactive smart-speaker prompts, structured conversational intake, and adaptive follow-up dialogue. We evaluated the system in a four-week between-subjects field study with 30 university students, comparing it with a text-based mobile diary using matched diary items, reporting windows, and reminder intervals. Compared with the text-based diary, the conversational voice diary showed higher adherence and elicited more detailed contextual self-report about routines, stressors, environmental conditions, and other sleep-related factors. Participants also described the voice diary as easier to integrate into daily routines, despite longer perceived completion time. However, voice-based conversational intake produced lower completeness for some structured diary fields, revealing a trade-off between expressive richness and structured precision. These findings show both the promise and the challenge of using LLM-powered conversational voice assistants for longitudinal health self-report.

14.
arXiv (CS.CL) 2026-06-18

Dual Dimensionality for Local and Global Attention

Decoder-only Transformers compute attention over the KV cache of preceding tokens. Keys (and Values) are typically represented with the same dimensionality, regardless of its distance from the prediction target. In natural language, however, the next word is most strongly influenced by the immediately preceding tokens. We hypothesize that local and distant tokens impose asymmetric demands on representational capacity: local tokens are more critical for predicting immediate outputs and thus require richer representations, whereas distant tokens primarily serve as long-range memory, for which lower-dimensional representations may suffice. We formalize this idea as Distance-Adaptive Representation (DAR), implemented in a controlled setting that preserves full-dimensional representations within a local context window while assigning reduced-dimensional representations (e.g. 1/4 of the original dimensionality) to tokens beyond that window. Across multiple pretraining scales (70M to 410M parameters), as well as continued supervised fine-tuning on a 1B-scale model, this approach closely matches the performance of full-dimensional baselines. In contrast, uniformly reducing dimensionality across all token positions leads to worse performance. These results challenge the common assumption that key and value dimensionality should be uniform across token positions. Our findings suggest a new direction for designing attention architectures that adaptively allocate representational capacity across sequences, enabling further reductions in KV cache during inference.

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

PhoneHarness: Harnessing Phone-Use Agents through Mixed GUI, CLI, and Tool Actions

Phone agents are increasingly expected to complete real mobile workflows rather than merely predict the next screen action. However, much of the current mobile-agent literature still evaluates agents primarily as GUI controllers that observe a screen, emit taps and swipes, and are scored by target app state. Real phone-use tasks are broader: they require deciding when to use app GUIs, device-side commands, or structured tools, while leaving evidence that the intended side effect actually occurred. We introduce PhoneHarness, a mixed-action benchmark and execution harness for studying phone-use agents on verifiable mobile workflows. PhoneHarness runs a device-side agent loop over GUI, CLI, and host-side tool actions, combining deterministic action routing with bounded GUI delegation and auditable execution traces. Its benchmark, PhoneHarness Bench, evaluates whether agents complete tasks with observable side effects, not only whether they produce plausible final answers. On the annotated evaluation split, PhoneHarness reaches a 75.0% pass rate, outperforming the strongest non-PhoneHarness settings by 12.9 percentage points. PhoneHarness and PhoneHarness Bench therefore play distinct but mutually dependent roles: the harness makes mixed phone workflows executable, while the benchmark measures whether agents can use that harness reliably and safely. Our findings suggest that reliable phone automation depends on action-surface routing and verifiable execution, not only visual GUI control.

16.
arXiv (quant-ph) 2026-06-25

Simulating Universal Quantum Gate Sets on Photonic OAM Qubits: Single-Qubit and Multi-Qubit Operations via Spatial Light Modulator Phase Holography

arXiv:2606.26088v1 Announce Type: new Abstract: Spatial light modulators (SLMs) have emerged as reconfigurable platforms for photonic quantum information processing, offering software-defined control over the orbital angular momentum (OAM) of light encoded in Laguerre-Gaussian (LG) beams. This paper presents a comprehensive simulation and hardware-grounded fidelity analysis of quantum gate operations implemented on the HOLOEYE LC 2012 transmissive SLM. A realistic three-channel noise model comprising 8-bit quantisation noise, twisted-nematic (TN) electronic and thermal noise, and phase-wrap clipping error is obtained from the manufacturer's datasheet without free-parameter fitting, yielding a total noise of $\sigma_{total} = 92.4mrad$. The complete universal single-qubit gate set $\{X, Y, Z, S, T, H\}$ and two-qubit entangling gates $\{CNOT, CZ, SWAP\}$ are simulated on a $512 \times 512$ computational grid. Results show that predicted gate fidelity are in the range of $F = 0.9914–0.9936$, with fork grating gates limited primarily by TN noise and phase gates achieving higher fidelity owing to zero phase-wrap clipping error. In addition, Bell state preparation via the H-CNOT circuit achieves $F(\Phi^+) = 0.9914$ after two SLM interactions. We benchmark our obtained results against six published experimental studies spanning the 78%–99.6% fidelity range. Finally, a wavelength-dependent analysis identifies 450–532 nm operation as the optimal regime for this device.

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

Improving Cross-Format Robustness in Language Models with Multi-Format Training

Large language models often remain sensitive to answer format: a question solved correctly in one form may fail in another semantically equivalent form. To study this gap, we define cross-format robustness as the extent to which a model answers the same underlying question consistently across formats. We then compare full-format training with FormatMix, which expands only a subset of training items into multiple equivalent formats using either random or targeted selection. Across GLM4 and Llama-3.1, multi-format supervision consistently improves both task performance and cross-format robustness, whereas Multiple-choice question (MCQ)-only supervision alone brings little benefit and can even reduce robustness. We further find that expanding only about 30% of the training set into multiple formats often recovers most of the gain from full-format training, and this effect appears across the model families and sizes we study. These results suggest that format diversity, rather than additional supervision alone, is the key driver of robustness. That lightweight multi-format augmentation is a practical way to make LLMs less sensitive to answer format without changing the base model.

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

SwitchBraidNet: Quantisation-Aware Lightweight Architecture for Hybrid Brain-Computer Interface

arXiv:2606.18816v1 Announce Type: cross Abstract: Hybrid brain-computer interfaces (BCIs) that integrate motor imagery (MI) and steady-state visual evoked potentials (SSVEP) provide high-dimensional neural decoding but typically exceed the computational limits of embedded hardware. To address this, we propose SwitchBraidNet, a compact EEG classification architecture designed for low-power deployment. The model employs a dual-path temporal braid to extract multiscale oscillatory features, an adaptive squeeze-and-excitation spatial switch for electrode gating, and a log-variance readout layer for direct band-power encoding. Furthermore, through systematic quantisation-aware training on the OpenBMI dataset, we compared SwitchBraidNet against four established baselines across FP32, FP16, and INT8 precisions. Experimental results demonstrate superior efficiency and performance, achieving MI accuracy of 69.49% (FP16), SSVEP accuracy of 93.48% (FP32), and a hybrid information transfer rate of 64.82 bits/min (FP16). With an INT8 footprint of only 3.03 KB, SwitchBraidNet maintains high accuracy across varying numerical precisions, demonstrating its suitability for low-power embedded BCI deployment.

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

FDIO: Frequency Decomposed Inertial Odometry

Pedestrian inertial odometry (PIO) estimates autonomous pedestrian motion using only acceleration and angular velocity measurements collected by an inertial measurement unit (IMU), making it highly valuable for consumer level localization applications. However, under a dual device acquisition setting, IMU signals collected by a freely carried mobile device are inherently composite signals in which the global motion of the human torso is coupled with perturbations induced by local limb motion. This coupling makes accurate human motion modeling more challenging. To address this issue, this paper proposes frequency decomposed inertial odometry (FDIO). The proposed method first decomposes input IMU signals into low frequency and high frequency components using a Laplacian pyramid. It then adopts a Mamba module to model long range motion information from the low frequency component and uses a multi scale convolution module to extract fine grained local dynamic features from the high frequency component. Experiments on five public PIO datasets show that FDIO achieves an average absolute trajectory error of 3.221~m and an average relative trajectory error of 2.550~m, reducing the errors by 33.3\% and 16.7\% compared with the RoNIN ResNet baseline, respectively. These results validate the effectiveness of the proposed frequency decomposition strategy. To the best of our knowledge, this work is among the first efforts to introduce Mamba and a frequency decomposition architecture into inertial odometry.

20.
arXiv (math.PR) 2026-06-24

Variational Tail Bounds for Norms of Random Vectors and Matrices

arXiv:2503.17300v5 Announce Type: replace Abstract: We propose a variational tail bound for norms of random vectors and matrices under moment assumptions on their one-dimensional marginals. A simplified version of the bound that parametrizes the ``aggregating distribution'' using a certain pushforward of the Gaussian distribution is also provided. We apply the proposed method to reproduce some of the well-known bounds on norms of Gaussian random vectors, and also obtain dimension-free tail bounds for the Euclidean norm of random vectors with arbitrary moment profiles. Furthermore, we reproduce a dimension-free concentration inequality for sum of independent and identically distributed positive semidefinite matrices with sub-exponential marginals, and obtain a concentration inequality for the sample covariance matrix of sub-exponential random vectors. We also obtain a tail bound for the operator norm of a random matrix series whose random coefficients may have arbitrary moment profiles. Furthermore, we use coupling to formulate an abstraction of the proposed approach that applies more broadly. As a corollary, we derive a PAC-Bayesian-style bound in terms of a certain combination of the KL and R\'{e}nyi divergences between the prior and posterior distributions.

21.
arXiv (CS.CL) 2026-06-25

The Hitchhiker's Guide to Agentic AI: From Foundations to Systems

The Hitchhiker's Guide to Agentic AI is a comprehensive practitioner's reference for building autonomous AI systems. The book covers the full stack from first principles to production deployment, organized around a central thesis: building great agentic systems requires understanding every layer of the pipeline, not just one. The book opens with the LLM substrate – transformer architecture, GPU systems, training and fine-tuning (SFT,LoRA, MoE), model compression, and inference optimization – treated as essential foundations rather than the primary focus. It then develops the alignment and reasoning layer: reinforcement learning from human feedback (RLHF), PPO, DPO and its variants, GRPO, reward modeling, and RL for large reasoning models including chain-of-thought and test-time scaling. The second half is devoted to agentic AI proper. Topics include agentic training and trajectory-based RL, retrieval-augmented generation (RAG and Agentic RAG), memory systems (in-context, external, episodic, and semantic), agent harness design and context management, and a taxonomy of agent design patterns. Inter-agent coordination is covered in depth: the Model Context Protocol (MCP), agent skills and tool use, the Agent-to-Agent (A2A) communication protocol, and multi-agent architectures spanning centralized, decentralized, and hierarchical topologies. The book concludes with agent development frameworks, agentic UI design, evaluation methodology for agentic tasks, and production deployment. Each chapter pairs rigorous theoretical foundations with implementation guidance, code examples, and references to the primary literature.

22.
bioRxiv (Bioinfo) 2026-06-24

BATTLE-AMP: Benchmarking Antimicrobial Peptide Predictors

As antimicrobial resistance outpaces antibiotic development, antimicrobial peptides (AMPs) have emerged as a promising class of alternative antibacterials, and computational predictors are increasingly used to prioritize AMP candidates. Such predictors are typically evaluated on binary AMP/non-AMP classification, which does not test whether they can identify peptides with clinically relevant potency against specific pathogens. We present BATTLE-AMP, a benchmarking framework that evaluates AMP predictors against experimentally measured minimum inhibitory concentrations (MICs) across clinically relevant bacterial species and strains. We surveyed 48 published methods, finding fewer than 25% reproducible, and benchmarked 10 model families (21 variants) using experimental MIC data, synthetic sequence perturbations, activity cliff analyses, and all-atom molecular dynamics (MD) simulations. Four findings emerge: (i) models trained on MIC data outperform binary classifiers regardless of architecture; (ii) the best model depends on the target pathogen, so model selection must be guided by the biological question; (iii) most models cannot distinguish active peptides from inactive sequences with identical amino acid composition; and (iv) activity cliffs remain unresolved by both machine learning and MD, marking a limit of current computational methods. BATTLE-AMP is released as an open Snakemake framework at https://github.com/szczurek-lab/battleamp-snakemake for benchmarking new models and scoring novel candidate libraries.

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

Retro-Expert: Collaborative Reasoning for Interpretable Retrosynthesis

arXiv:2508.10967v3 Announce Type: replace-cross Abstract: Retrosynthesis prediction aims to infer the reactant molecules based on a given product molecule, which is a fundamental task in chemical synthesis. However, existing methods rely on a static pattern-matching paradigm, which limits their ability to perform effective logical decision-making from chemical data, leading to a black-box process. We propose Retro-Expert, an interpretable retrosynthesis framework that performs collaborative reasoning by combining the complementary strengths of Large Language Models and specialized models via pure reinforcement learning. It outputs natural language explanations grounded in chemical logic through three components: (1) specialized models provide chemical knowledge that is distilled into a high-quality chemical decision space, (2) LLM-driven critical reasoning to generate predictions with an interpretable reasoning path, and (3) knowledge-grounded policy optimization refines the interpretable decision policy. Experiments show that Retro-Expert surpasses both LLM-based and specialized models across different metrics, while generating chemically grounded explanations that enhance chemists' trust in practice. The source code for this paper is available at https://github.com/MagixRab-ll/Retro-Expert.

24.
bioRxiv (Bioinfo) 2026-06-16

FlowBench: separating planning, fault recovery and interpretation in agentic bioinformatics

Agentic large language model (LLM) systems are being deployed in bioinformatics faster than they are understood, and single-metric evaluations conflate capabilities that fail independently. We introduce FlowBench, a benchmark that decomposes agentic bioinformatics performance into planning, fault recovery, biological interpretation, and end-to-end output-fidelity. Existing systems achieve high plan completeness, but their closed, single-provider designs prevent attribution of performance to scaffolding versus the underlying model. We therefore built FlowAgent, a modular, provider-agnostic framework whose components can be selectively disabled and whose backbone model can be swapped across providers on a shared harness, and used it to evaluate 23 models from three main providers. Three findings emerge. First, generating a valid workflow plan from a named toolchain is largely solved, whereas inferring an appropriate toolchain from biological intent alone is uniformly difficult regardless of model tier, compressing all models into a narrow 44-57% pass-rate band. Second, ablation shows that the dependency-structured plan and a completeness-reflection step drive performance, while adding a same-context validator-driven retry makes structural quality worse. Third, fault recovery and data-grounded interpretation remain unsolved. Models frequently propose fixes that force a clean exit while leaving the underlying data invalid, and data-grounded interpretation lags internal-knowledge recall by a consistent margin. Safety does not emerge from capability, and reasoning-tier models were among the least reliable at recognising unrecoverable faults. Once planning saturates, agent architecture and refusal calibration, not model scale, are the productive frontier.

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

On Approximating the Dynamic Response of Synchronous Generators via Operator Learning: A Step Towards Building Deep Operator-based Power Grid Simulators

arXiv:2301.12538v2 Announce Type: replace-cross Abstract: This paper develops an Operator Learning framework for approximating the dynamic response of synchronous generators. The framework can be used to (i) build a neural network-based generator model that interacts with a power grid simulator or (ii) shadow the true generator's transient response. First, we develop a data-driven Deep Operator Network (DeepONet) to approximate the infinite-dimensional solution operator of the generators. Then, we design a numerical scheme based on DeepONet that simulates the generator's response over a given time horizon. The proposed scheme recursively employs the trained DeepONet to simulate the response for a given multi-dimensional input that describes the interaction between the generator and the power grid. In addition, we design a residual DeepONet numerical scheme that can incorporate information from existing mathematical models. We accompany this residual DeepONet scheme with an estimate for the prediction's cumulative error. Finally, we build a data aggregation (DAgger) strategy that allows fine-tuning of DeepONets using aggregated training data that the DeepONets will likely encounter during interactive simulations with other grid components. As a proof of concept, we demonstrate that the proposed frameworks can effectively approximate the transient model of a synchronous generator.