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01.
arXiv (CS.CL) 2026-06-12

MaxProof: Scaling Mathematical Proof with Generative-Verifier RL and Population-Level Test-Time Scaling

We present MaxProof, a population-level test-time scaling framework for competition-level mathematical proof in the MiniMax-M3 series. M3 first trains three proof-oriented capabilities – proof generation, proof verification, and critique-conditioned proof repair – using a defense-in-depth generative verifier engineered for low false-positive rate. These capabilities are merged into a single released M3 model. At test time, MaxProof treats the model as a generator, verifier, refiner, and ranker, searches over a population of candidate proofs, and returns one final proof through tournament selection. With MaxProof test-time scaling, the M3 model reaches 35/42 on IMO 2025 and 36/42 on USAMO 2026, exceeding the human gold-medal threshold on both.

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

Red-Teaming the Agentic Red-Team

arXiv:2606.24496v1 Announce Type: cross Abstract: The use of agentic systems to perform offensive security operations has moved from a theoretical possibility to a commoditized capability. However, while the community has focused on creating more and more capable agents, less attention has been allocated to assessing the security of those systems. In this work, we present the first in-depth security analysis of the most widely used agentic systems for offensive security operations. We show that most of these tools share common design flaws that enable an active adversary to exfiltrate API keys, establish persistent footholds, and fully compromise the operator's machine, even when the agent operates inside a sandboxed container. To support our analysis, we introduce a full cyber kill chain for such agentic systems, capturing the progression from initial LLM manipulation to lateral movement, persistence, guardrail bypass, and sandbox escape. Building on our security analysis, we derive a robust architecture for agentic offensive-security tools and propose actionable, broadly applicable design principles that mitigate the disclosed attack paths at the architectural level.

03.
arXiv (CS.CL) 2026-06-19

From Texts to Scores: Tracing the Emergence of Essay Quality Representations in Large Language Models

Recent advances in Large Language Models (LLMs) have substantially transformed Automated Essay Scoring (AES), yet the internal mechanisms underlying LLM-based scoring remain poorly understood. In this work, we systematically analyze the hidden representations of eight LLMs across two English essay datasets (ASAP++, CSEE) and one Portuguese dataset (ENEM). Using linear probing, cross-prompt generalization, dimensionality reduction, and neuron-level analyses, we find consistent evidence that essay quality information is encoded in a linearly accessible form within LLM representations. These representations emerge progressively across layers, remain robust across prompting strategies, and partially transfer across essay prompts despite differences in scoring rubrics. In addition, nonlinear probes provide only marginal and inconsistent improvements over linear probes, suggesting that most essay quality information is already linearly decodable. We further identify individual ``essay scoring neurons'' whose activations strongly correlate with essay scores and whose behavior is sensitive to targeted intervention. Moreover, the layer-wise distribution of these neurons systematically shifts with essay length, with longer essays relying more heavily on deeper layers. Overall, our findings provide evidence that LLMs encode structured representations related to essay quality and offer new insights into the interpretability of LLM-based AES systems.

04.
arXiv (quant-ph) 2026-06-11

Classical representation of the dynamics of quantum spin chains

作者:

arXiv:2502.10502v3 Announce Type: replace-cross Abstract: Since the advent of quantum mechanics, classical probability interpretations have faced significant challenges. A notable issue arises with the emergence of negative probabilities when attempting to define the joint probability of non-commutative observables. In this work, we propose a resolution to this dilemma for quantum spin chains, by introducing an exact representation of their dynamics in terms of classical continuous-time Markov chains (CTMCs). These CTMCs effectively model the creation, annihilation, and propagation of pairs of classical particles and antiparticles. The quantum dynamics then emerges by averaging over various realizations of this classical process.

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

When Correct Edges Cannot Be Verified: A Provenance Gap in Incomplete KGQA and a Provenance-Favoring Completion Policy

Incomplete Knowledge Graph Question Answering (IKGQA) requires completing missing edges to continue reasoning. A growing line of work verifies completed edges against retrieved text, treating textual support as a proxy for edge quality. We ask a question that, to our knowledge, has not been systematically tested: does textual verifiability actually track correctness? Exploiting the gold deleted triples provided by the standard random-deletion protocol, we measure both. The finding is counterintuitive: among gold-correct completed edges, 76-96% have no supporting passage even under exhaustive retrieval, robustly across deletion rates (20%/40%), datasets (CWQ/WebQSP), and relation types (structural, commonsense, long-tail). Most Freebase-style facts simply do not occur as head-tail co-mentions in text. Textual faithfulness therefore measures provenance, not correctness – separated by a paradigm-level gap no in-corpus retrieval closes. This reframes edge completion. Since most completed edges – correct or not – are causally redundant for the answer (95-97% of correct answers do not depend on any unsupported edge), the central question shifts from "is the edge correct?" to "admit or abstain under provenance uncertainty?" Within this framing we present TGComplete, a provenance-favoring admission policy that retrieves evidence at a reasoning breakpoint, verifies a candidate through a lightweight loop, and abstains when support is absent. Against the generate-to-complete baseline GoG, it attains higher edge precision against gold (15-21% vs 3-14%), with no statistically detectable EM loss and 3.1-7.4 times higher strict faithfulness of admitted edges – at the cost of lower recall. We position TGComplete not as uniformly better, but as a principled point on a precision/provenance-recall trade-off, appropriate when auditability matters.

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

HistoRAG: Embedding Historical Methodology in Retrieval-Augmented Generation Through Critical Technical Practice

Retrieval-Augmented Generation (RAG) is the prevailing architecture for grounding language model outputs in external evidence, yet its dominant evaluation paradigms and default configurations remain oriented toward factual question-answering. For interpretive disciplines such as historical studies, RAG embeds assumptions that conflict with scholarly practice. We introduce HistoRAG, a framework that translates historiographical principles into concrete architectural interventions. Separated retrieval and generation decouples source discovery from interpretation, temporal windowing enforces balanced source representation across the research period as a methodological requirement of historical inquiry, and LLM-as-judge evaluation makes relevance judgments transparent and contestable. We evaluate these interventions using SPIEGELragged, applied to 102,189 articles from Der Spiegel (1950-1979). Each intervention addresses a measurable deficiency in standard RAG: era-specific vocabulary retrieves zero chunks from the 1950s when using 1970s terminology, evidence of the temporal skew that motivates windowing; vector similarity and LLM-assessed relevance correlate only weakly (Spearman rho = 0.275), motivating post-retrieval evaluation; and keyword-based and semantic retrieval surface largely disjoint source pools, motivating an architecture in which both operate as complementary retrieval layers under a shared LLM evaluation filter. We also introduce the concept of Zwischentexte (intermediate texts that function as interpretive proposals rather than findings) as a framework for responsible integration of LLM-generated text into scholarly practice. The architecture offers a model for how domain-specific epistemological commitments can be translated into RAG design decisions, and may transfer to other interpretive disciplines working with large corpora.

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

Seed-Guided Semi-Supervised Clustering by A-Contrario Anomaly Detection

arXiv:2606.18833v1 Announce Type: new Abstract: This paper introduces a semi-supervised clustering framework grounded in the statistical duality between grouping principles and anomaly detection. We address the challenge of robust cluster definition in noisy environments – a task where partitioning algorithms often over-assign outliers and density-based methods remain sensitive to heuristic global parameters. Drawing on a-contrario statistical reasoning and Gestalt proximity principles, we define a cluster as a maximal subset of data points containing no anomalies relative to a null hypothesis of uniform randomness. Central to this approach is the Perception algorithm, which utilises a principled expectation-based threshold ($\mathbb{E} < 1$) to identify outliers without manual parameter tuning. By treating clustering as the dual of anomaly detection, we employ an iterative ``clustering-by-exclusion'' mechanism. The algorithm is seed-guided, leveraging minimal user-provided labels to initialise robust cluster medians and form initial groups, which are subsequently expanded by admitting non-anomalous points. This approach naturally isolates fringe points, isolated noise, and emerging unknown clusters. We evaluate the method on synthetic and real-world benchmarks, including image and text datasets represented through raw, linear-reduced, and neighbourhood-preserving embeddings. Results demonstrate that with as few as 10–30 seeds per cluster, the proposed method achieves competitive and often very strong performance under a practical low-tuning benchmarking protocol, while maintaining linear scalability with respect to both observations and dimensionality for a fixed number of seeded clusters and iterations.

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

Getting Better at Working With You: Compiling User Corrections into Runtime Enforcement for Coding Agents

Interactive LLM agents are becoming part of daily work, but they do not reliably become easier to work with over time: a correction remembered in one session may still be violated in the next. We study this gap between preference access and preference compliance. In tasks derived from anonymized real-user friction cases, Mem0 memory still leaves 57.5% of applicable preference checks violated. We introduce Test-time Rule Acquisition and Compiled Enforcement (TRACE), a drop-in skill-layer pipeline for coding-agent runtimes that mines user corrections, rewrites them as atomic rules, and compiles them into runtime checks that must pass before an agent completes future tasks. Unlike runtime checks written ahead of time by developers, TRACE skills come from the user's own chat corrections. We evaluate TRACE with simulated user-in-the-loop experiments on ClawArena coding-agent tasks and MemoryArena-derived memory-intensive tasks. On ClawArena, TRACE reduces held-out preference violation from 100.0% to 37.6% on in-distribution tasks and from 100.0% to 2.0% on out-of-distribution tasks. On MemoryArena-derived tasks, TRACE reduces in-distribution violation from 100.0% to 60.5% while matching or exceeding the strongest memory baseline on task pass. These results suggest that compiling corrections into runtime enforcement can address a repeated-friction failure mode that memory alone does not reliably solve, reducing the need for users to restate the same correction across future sessions. Experiment code is available at https://github.com/YujunZhou/TRACE_exp, and the deployable skill is available at https://github.com/YujunZhou/tellonce.

10.
arXiv (CS.LG) 2026-06-16

Forecasting Bacterial Antimicrobial Resistance Trends Using Machine Learning on WHO GLASS Surveillance Data: A Retrieval-Augmented Generation Approach for Policy Decision Support

arXiv:2602.22673v2 Announce Type: replace Abstract: Background: Antimicrobial resistance (AMR) is a global health threat. While the WHO Global Antimicrobial Resistance and Use Surveillance System (GLASS) provides standardized data, population-level machine learning forecasting of resistance trends remains limited. Translating computational forecasts into policy requires transparent interpretation mechanisms. Methods: Surveillance data (2021-2023) comprising 5,909 observations across 44 countries and five WHO regions were processed. A rigorous temporal split prevented data leakage. Six models (Naive, Linear, Ridge, XGBoost, LightGBM, LSTM) were benchmarked to forecast one-year-ahead resistance rates using features including prior-year resistance and antibiotic consumption. Evaluation metrics (MAE, RMSE, sMAPE) were computed, with 95% bootstrap confidence intervals for MAE. A local Retrieval-Augmented Generation (RAG) system utilizing Gemma 4 was implemented to translate forecast findings into policy guidance grounded in retrieved WHO documents. Results: XGBoost achieved the best performance (test MAE = 6.13% [95% CI: 5.83-6.44]), an 85.3% error reduction versus the naive baseline (MAE = 41.79%). SHAP analysis identified prior-year resistance as the dominant predictor (50.5% gain), confirming strong autoregressive behavior. Regional forecast error tracked closely with surveillance coverage, ranging from 3.65% in the European Region to 8.61% in South-East Asia. The RAG pipeline generated accurate, source-attributed policy responses without fabricated citations. Conclusion: Short-term AMR resistance rates exhibit strong temporal autocorrelation that can be accurately forecasted using gradient boosting. Coupling these forecasts with a hallucination-resistant RAG system provides a scalable, evidence-based decision-support framework for AMR governance.

11.
arXiv (quant-ph) 2026-06-17

Quantum Chip Paradigm Framework

arXiv:2606.17899v1 Announce Type: new Abstract: Quantum Electronic Design Automation (Q-EDA) is emerging as quantum chips move from laboratory prototypes to scalable engineering systems. This paper argues that superconducting quantum chip design is approaching a "SPICE moment" similar to early classical EDA, where growing qubit scale, control complexity, frequency planning, packaging, process variation, and cryogenic measurement feedback require a shift from experience-based design to model-driven engineering. We propose a Quantum Chip Paradigm Framework that treats Q-EDA not only as software, but as part of the quantum chip development paradigm. Unlike classical HDL-first design, quantum chip design must begin with physical structures such as Josephson junctions, resonators, couplers, readout elements, control lines, and packaging environments. The framework emphasizes PCell-based modeling, SPICE-Q simulation, Quantum PDKs, and design-technology-measurement co-optimization. We further outline a hierarchical Q-EDA system spanning physical structures, qubit PCells, logical qubits, quantum arithmetic, functional quantum IP, and Quantum SoC systems. The key goal is to turn physical models, layout rules, simulation results, fabrication data, and measurement feedback into reusable and auditable engineering objects for large-scale quantum processors and fault-tolerant quantum computing.

12.
arXiv (quant-ph) 2026-06-19

Efficient classical representation and quantum state preparation of complete active space wavefunctions

作者:

arXiv:2606.19457v1 Announce Type: new Abstract: Quantum computers promise to solve the electronic structure problem for a large class of molecules. However, the performance of relevant quantum algorithms hinges on preparing initial states with substantial overlap with the target eigenvector. For classically challenging molecules with strong electron correlation, starting from multi-reference states, such as complete active space (CAS) wavefunctions is necessary. Unfortunately, the most advanced state preparation protocols applied to such states result in a gate complexity that scales exponentially with the active space size $d$. In fact, even encoding a CAS state classically is traditionally believed to be intractable for chemically relevant systems. Here, we draw insights from the recently introduced Quantum Paldus Transform (QPT) to show that there exists an efficient classical representation of CAS states and to design a new state preparation routine outperforming previous ones. The QPT represents a transformation from the Fock basis to a friendlier symmetry-adapted basis. Our main contribution consists in showing that CAS states expanded in this basis can efficiently be represented as a matrix product state (MPS) with a bond dimension scaling as $O(d^2)$. One can then efficiently load the MPS on a quantum computer and use the inverse QPT to transform the state to the Fock basis. Moreover, our method can easily be extended to the efficient preparation of CAS states in first quantisation with similar complexity. Crucially, we demonstrate that the complexity of both state preparation protocols only grows polynomially as $O(d^3)$ , which constitutes to the best of our knowledge an exponential improvement over the state of the art.

13.
PLOS Computational Biology 2026-05-29

A prototype-augmented graph representation learning framework for identifying brain disorder-associated genes and facilitating drug repurposing

作者:

by Jiafang Li, Yifei Li, Siying Lin, Jiahua Rao, Huiying Zhao Many genetic loci were identified as associated with neuropsychiatric disorders and neurodegenerative disorders by Genome-wide association studies (GWAS). How these loci impact these diseases is unclear. Advances in deep-learning approaches and multi-omics data have the potential to link GWAS findings with disease mechanisms. Here, we proposed the Multi-omics Graph Transformer Network (MOGT), a semi-supervised graph neural network that leverages graph representation learning to model biological networks derived from multi-omics data to predict disease-associated genes. MOGT outperforms the current approaches in disease gene prediction for two psychiatric disorders and three neurodegenerative/neurological diseases. High-risk genes (HRGs) for Parkinson’s disease (PD) predicted by MOGT were used to drug discovery by integrating with the CMAP database. Finally, 10 drugs were identified as potential candidates. Among them, the effect of drug UK-356618 was experimentally verified in a primary neuron model, showing that UK-356618 reversed the abnormal expression of PD-associated genes and improved the cell-level phenotypes of PD. Together, these results indicate that MOGT can be used to identify HRGs for brain disorders, and these predicted HRGs provide high-level insights into the mechanisms and treatments of brain disorders.

14.
arXiv (CS.CL) 2026-06-16

Islamic Large Language Models: From Knowledge Acquisition to Trustworthy and Hallucination-Resistant AI

Large language models (LLMs) are increasingly used for knowledge-intensive question answering, including religious and legal questions. Islamic knowledge is a particularly demanding setting: answers are expected to be grounded in authoritative sources, citations must be exact, Arabic varieties differ substantially from the language of classical sources, and legitimate jurisprudential disagreement must be represented rather than collapsed into a single answer. This survey reviews the emerging field of Islamic LLMs and trustworthy Islamic AI. We organize the literature around Arabic NLP and Arabic-centric LLMs, Islamic NLP resources, Qur'anic question answering, Islamic knowledge benchmarks, retrieval-augmented generation, Islamic legal reasoning, inheritance reasoning, hallucination evaluation, and trustworthiness. We argue that fluency in Arabic is not sufficient for Islamic AI. Reliable systems require curated sources, retrieval and verification modules, citation-aware generation, madhhab-aware reasoning, human expert evaluation, and benchmarks that measure not only answer accuracy but also faithfulness, source validity, and reasoning quality. The survey concludes with a research agenda for hallucination-resistant Islamic AI systems.

15.
arXiv (quant-ph) 2026-06-16

Quantum learning with a single-atom sensor

arXiv:2606.15071v1 Announce Type: new Abstract: The ability to gather information and to act upon it is at the core of every learning agent. But what is the impact of quantum mechanics on an agent's ability to sense external inputs and to translate them into actions? Here we address the question for a prototype task of learning agency at the quantum scale: rotating a single spin based on information gathered by a single atom. We determine the ultimate performance limit for this task, revealing a fundamental tradeoff between entanglement at the sensing stage and coherence at the action stage: if the single-atom sensor is not entangled with the quantum system serving as the agent's internal memory, then the best learning strategy requires a coherent transfer of quantum information from the sensor to the system that controls the agent's actions. In contrast, if the sensor is initially entangled with the agent's memory, then the transfer of quantum information is no longer necessary. Our results indicate that the quantum properties of the sensor radically affect the optimal way to convert external stimuli into actions, revealing a link between quantum sensing and the behavior of quantum agents.

16.
arXiv (CS.LG) 2026-06-17

Multi-Adapter PPO: A Cross-Attention Enhanced Wavelength Selection Framework for LIBS Quantitative Analysis

arXiv:2606.17476v1 Announce Type: new Abstract: Laser-induced breakdown spectroscopy (LIBS) quantitative analysis faces critical challenges in wavelength selection due to high-dimensional spectral data and the fundamental trade-off between prediction accuracy and feature efficiency. This paper presents a novel Multi-Adapter PPO framework that transforms wavelength selection into a reinforcement learning problem, leveraging cross-attention mechanisms and multiple specialized adapters to capture complex spectral relationships. Our approach outperforms traditional Particle Swarm Optimization (PSO) by an average of 28.4\% in comprehensive score and 45.2\% in prediction accuracy across steel and coal datasets. The proposed method demonstrates superior performance in balancing prediction accuracy with feature efficiency, achieving state-of-the-art results in LIBS quantitative analysis while maintaining interpretability and computational efficiency. We released our code and dataset here: https://github.com/Hflying/MAPPO

17.
arXiv (CS.AI) 2026-06-19

Enhancing Generative Auto-bidding with Offline Reward Evaluation and Policy Search

arXiv:2509.15927v5 Announce Type: replace-cross Abstract: Auto-bidding is a critical tool for advertisers to improve advertising performance. Recent progress has demonstrated that AI-Generated Bidding (AIGB), which learns a conditional generative planner from offline data, achieves superior performance compared to typical offline reinforcement learning (RL)-based auto-bidding methods. However, existing AIGB methods still face a performance bottleneck due to their inherent inability to explore beyond the static dataset with feedback. To address this, we propose AIGB-Pearl (Planning with \textbf{EvaluAtor via RL}), a novel method that integrates generative planning and policy optimization. The core of AIGB-Pearl lies in constructing a trajectory evaluator to assess the quality of generated scores and designing a provably sound KL-Lipschitz-constrained score-maximization scheme to ensure safe and efficient exploration beyond the offline dataset. A practical algorithm that incorporates the synchronous coupling technique is further developed to ensure the model regularity required by the proposed scheme. Extensive experiments on both simulated and real-world advertising systems demonstrate the state-of-the-art performance of our approach.

18.
arXiv (math.PR) 2026-06-19

The systole of random hyperbolic 3-manifolds

arXiv:2406.11783v2 Announce Type: replace-cross Abstract: We study the systole of a model of random hyperbolic 3-manifolds introduced by Petri and Raimbault, answering a question posed in that same article. These are compact manifolds with boundary constructed by randomly gluing truncated tetrahedra along their faces. We prove that the limit, as the volume tends to infinity, of the expected value of their systole exists and we give a closed formula of it. Moreover, we compute a numerical approximation of this value.

19.
arXiv (CS.CL) 2026-06-12

Uncertainty-Aware Hybrid Retrieval for Long-Document RAG

Retrieval augmented generation (RAG) depends critically on the quality and granularity of retrieved evidence. Large retrieval units preserve context but often introduce irrelevant content, which can dilute answer bearing evidence and worsen long context utilization. Fine-grained units are more compact, but they may be difficult to retrieve reliably because short chunks can lack semantic, lexical, or bridging cues needed to match the query. We propose Uncertainty-aware Multi-Granularity RAG (UMG-RAG), a training-free hybrid retrieval framework that treats chunk granularity as query-specific reliability estimation. Instead of training a new retriever or modifying the generator, UMG-RAG uses existing dense and sparse retrievers as complementary experts across multiple chunk granularities. For each query, it converts each expert-granularity score list into an evidence distribution, estimates reliability from distribution entropy, and fuses candidates according to query-specific semantic, lexical, and granularity confidence. We further introduce UMGP-RAG, a parent promotion variant that uses fine-grained hits to locate relevant evidence while returning broader non-redundant parent chunks for local coherence. Experiments on question answering benchmarks show that uncertainty-aware fusion and parent promotion improve generation quality while maintaining a lightweight, plug-and-play retrieval pipeline.

20.
arXiv (CS.CV) 2026-06-17

OpenTie: Open-vocabulary Sequential Rebar Tying System

Robotic practices on the construction site emerge as an attention-attracting manner owing to their capability of tackling complex challenges, especially in the rebar-involved scenarios. Most of existing products and research are mainly focused on the collection of large amounts of data with model training demands. To fulfill this gap, we propose OpenTie, a 3D training-free rebar tying framework utilizing a RGB-to-point-cloud generation and an open-vocabulary rebar detection on the real-world test. We implement the OpenTie via a robotic arm with a binocular camera and guarantee a high accuracy by applying the prompt-based object detection method on the image filtered by our proposed post-processing procedure for the image-to-point-cloud generation framework. Our pipeline requires no training efforts and outperforms the training-based object detection, i.e., YOLO-based method, with the verification on the real-world sequential rebar tying test. The system is flexible for horizontal and vertical rebar tying tasks and holds the potential application to the real construction site with possibility of commercialization.

21.
arXiv (CS.CL) 2026-06-18

MORTAR: Multi-turn Metamorphic Testing for LLM-based Dialogue Systems

With the widespread application of LLM-based dialogue systems in daily life, quality assurance has become more important than ever. Recent research has successfully introduced methods to identify unexpected behaviour in single-turn testing scenarios. However, multi-turn interaction is the common real-world usage of dialogue systems, yet testing methods for such interactions remain underexplored. This is largely due to the oracle problem in multi-turn testing, which continues to pose a significant challenge for dialogue system developers and researchers. In this paper, we propose MORTAR, a metamorphic multi-turn dialogue testing approach, which mitigates the test oracle problem in testing LLM-based dialogue systems. MORTAR formalises the multi-turn testing for dialogue systems, and automates the generation of question-answer dialogue test cases with multiple dialogue-level perturbations and metamorphic relations (MRs). The automated MR matching mechanism allows MORTAR more flexibility and efficiency in metamorphic testing. The proposed approach is fully automated without reliance on LLM judges. In testing six popular LLM-based dialogue systems, MORTAR reaches significantly better effectiveness with over 150\% more bugs revealed per test case when compared to the single-turn metamorphic testing baseline. Regarding the quality of bugs, MORTAR reveals higher-quality bugs in terms of diversity, precision and uniqueness. MORTAR is expected to inspire more multi-turn testing approaches, and assist developers in evaluating the dialogue system performance more comprehensively with constrained test resources and budget.

22.
arXiv (CS.LG) 2026-06-17

X-REFINE: XAI-based RElevance input-Filtering and archItecture fiNe-tuning for channel Estimation

arXiv:2602.22277v2 Announce Type: replace Abstract: AI-native architectures are vital for 6G wireless communications. The black-box nature and high complexity of deep learning models employed in critical applications, such as channel estimation, limit their practical deployment. While perturbation-based eXplainable Artificial Intelligence (XAI) solutions offer input filtering, they often neglect internal structural optimization. We propose X-REFINE, an XAI-based framework for joint input-filtering and architecture fine-tuning. By utilizing a decomposition-based, sign-stabilized LRP epsilon rule, X-REFINE backpropagates predictions to derive high-resolution relevance scores for both subcarriers and hidden neurons. This enables a reliable optimization that identifies the most reliable model components. Simulation results demonstrate that X-REFINE achieves a superior performance-complexity-interpretability trade-off compared to the external perturbation-based XAI frameworks, significantly reducing computational complexity while maintaining robust bit error rate (BER) performance.

23.
bioRxiv (Bioinfo) 2026-06-14

Generative design of antigen-specific T-cell receptor sequences with a conditional diffusion model

T cell receptor (TCR)-based immunotherapy holds immense potential for treating cancers and infectious diseases, where highly antigen-specific TCR recognition is crucial for adaptive immunity against tumors and pathogens. Engineering or de novo generation of the complementarity-determining region 3 (CDR3) loops of TCRs using artificial intelligence offers a powerful alternative to designing reactive TCRs rather than laborious experimental screening. However, current in silico approaches are constrained by weak conditional guidance, limited flexibility, and a lack of rigorous functional validation. To address these limitations, we introduce TCRDiff, a generative diffusion framework for designing antigen-specific TCRs conditioned on peptide-MHC (pMHC) targets and germline-encoded variable genes. By leveraging pre-trained knowledge from massive T-cell repertoires and TCR-pMHC recognition data, TCRDiff generates CDR3{beta} sequences with state-of-the-art fidelity to native binding TCRs through a denoising diffusion process. Furthermore, incorporating the interface geometry features generated TCR-pMHC complexes with superior structural plausibility. As a proof of concept, we deployed TCRDiff in a systematic pipeline to design candidate TCRs for immunotherapy. In vitro activation assays validated that TCRDiff-generated TCRs specifically recognize the MAGE-A3 epitope with minimized off-target cross-reactivity. Together, TCRDiff establishes a powerful, validated computational paradigm to accelerate the development of TCR-based immunotherapies.

24.
arXiv (CS.AI) 2026-06-11

Forecasting Future Behavior as a Learning Task

arXiv:2606.11445v1 Announce Type: new Abstract: Trust in an AI system is often anchored by explanations of how it works, which one then uses to forecast its behavior on new inputs. For large reasoning models (LRMs), this conventional route is particularly difficult to follow: explanation methods for single token generations do not naturally generalize to long trajectories, and the trajectories themselves are often not faithful when read as natural language. We propose an alternative that bypasses the explanation step: treat behavior forecasting as a learnable task and train Behavior Forecasters that operates on a single reasoning trajectory to make the same forecasts one would typically seek from an explanation. The forecaster's training data is obtained by querying the LRM with no human annotation, and its inference is done in a single forward pass. We instantiate this approach on two tasks: how likely the LRM is to repeat its answer on re-runs, and how removing parts of the input changes its answer. We evaluate this approach on both tasks across three diverse reasoning datasets and find that trained Behavior Forecasters are more accurate than GPT-5.4 and Claude Opus-4.6 reading the same trajectories as naive readers, at a small fraction of their inference cost. We find that fine-tuning the backbone end-to-end and initializing it from the target LRM are each necessary for strong performance. These results show that the reasoning trajectory carries information about the LRM's future behavior that goes beyond what naive reading conveys.

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

A Single Stepsize Suffices for Unprojected Linear TD(0): Simultaneous Robust and Fast Rates via Polyak–Ruppert Averaging

arXiv:2606.24981v1 Announce Type: new Abstract: We study linear TD(0) under Markovian sampling, where data are generated along a single trajectory. We provide high-probability guarantees for a plain unprojected TD(0) algorithm with Polyak-Ruppert (PR) averaging, using a single stepsize schedule $\eta_t \propto \frac{1}{\tau_{\mathrm{mix}}\log(t)\sqrt{t}}$ that depends on the mixing time but requires no prior knowledge of the curvature parameter $\omega$. Our first result shows that such a choice of the stepsize guarantees that the TD(0) iterates are automatically and uniformly bounded with high probability, without projections and without any stability argument based on $\omega$. Building on this result, we establish a simultaneous high-probability convergence guarantee for the PR average: the same stepsize yields both a robust curvature-free $\widetilde{\mathcal{O}}\!\left(\frac{\tau_{\mathrm{mix}}}{\sqrt{T}}\right)$ rate and a fast curvature-dependent $\widetilde{\mathcal{O}}\!\left(\frac{\tau_{\mathrm{mix}}^2}{\omega T}\right)$rate, with the bound taking the minimum of the two. The core technical ingredient is a Poisson-equation toolkit for geometrically mixing Markov chains, which decomposes Markov noise into a martingale term plus a controlled remainder and enables a new self-bounding inductive argument for pathwise stability.