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2603.04551 2026-03-06 stat.AP cs.LG

Weather-Related Crash Risk Forecasting: A Deep Learning Approach for Heterogenous Spatiotemporal Data

Abimbola Ogungbire, Srinivas Pulugurtha

Comments 20 pages 5 figures

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This study introduces a deep learning-based framework for forecasting weather-related traffic crash risk using heterogeneous spatiotemporal data. Given the complex, non-linear relationship between crash occurrence and factors such as road characteristics, and traffic conditions, we propose an ensemble of Convolutional Long Short-Term Memory (ConvLSTM) models trained over overlapping spatial grids. This approach captures both spatial dependencies and temporal dynamics while addressing spatial heterogeneity in crash patterns. North Carolina was selected as the study area due to its diverse weather conditions, with historical crash, weather, and traffic data aggregated at 5-mi by 5-mi grid resolution. The framework was evaluated using Mean Squared Error (MSE), Root Mean Squared Error (RMSE), and spatial cross-K analysis. Results show that the ensembled ConvLSTM significantly outperforms baseline models, including linear regression, ARIMA, and standard ConvLSTM, particularly in high-risk zones. The ensemble approach effectively combines the strengths of multiple ConvLSTM models, resulting in lower MSE and RMSE values across all regions, particularly when data from different crash risk zones are aggregated. Notably, the model performs exceptionally well in volatile high-risk areas (Cluster 1), achieving the lowest MSE and RMSE, while in stable low-risk areas (Cluster 2), it still improves upon simpler models but with slightly higher errors due to challenges in capturing subtle variations.

2603.04535 2026-03-06 astro-ph.IM astro-ph.CO cs.LG

A Fast Generative Framework for High-dimensional Posterior Sampling: Application to CMB Delensing

Hadi Sotoudeh, Pablo Lemos, Laurence Perreault-Levasseur

Comments 12 pages, 4 figures. ML4Astro 2025 workshop paper on fast generative posterior sampling with application to CMB delensing

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We introduce a deep generative framework for high-dimensional Bayesian inference that enables efficient posterior sampling. As telescopes and simulations rapidly expand the volume and resolution of astrophysical data, fast simulation-based inference methods are increasingly needed to extract scientific insights. While diffusion-based approaches offer high-quality generative capabilities, they are hindered by slow sampling speeds. Our method performs posterior sampling an order of magnitude faster than a diffusion baseline. Applied to the problem of CMB delensing, it successfully recovers the unlensed CMB power spectrum from simulated observations. The model also remains robust to shifts in cosmological parameters, demonstrating its potential for out-of-distribution generalization and application to observational cosmological data.

2603.04532 2026-03-06 cs.IR cs.AI cs.CL

Still Fresh? Evaluating Temporal Drift in Retrieval Benchmarks

Nathan Kuissi, Suraj Subrahmanyan, Nandan Thakur, Jimmy Lin

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Information retrieval (IR) benchmarks typically follow the Cranfield paradigm, relying on static and predefined corpora. However, temporal changes in technical corpora, such as API deprecations and code reorganizations, can render existing benchmarks stale. In our work, we investigate how temporal corpus drift affects FreshStack, a retrieval benchmark focused on technical domains. We examine two independent corpus snapshots of FreshStack from October 2024 and October 2025 to answer questions about LangChain. Our analysis shows that all but one query posed in 2024 remain fully supported by the 2025 corpus, as relevant documents "migrate" from LangChain to competitor repositories, such as LlamaIndex. Next, we compare the accuracy of retrieval models on both snapshots and observe only minor shifts in model rankings, with overall strong correlation of up to 0.978 Kendall $τ$ at Recall@50. These results suggest that retrieval benchmarks re-judged with evolving temporal corpora can remain reliable for retrieval evaluation. We publicly release all our artifacts at https://github.com/fresh-stack/driftbench.

2603.04523 2026-03-06 physics.chem-ph cs.AI cs.LG

Projected Hessian Learning: Fast Curvature Supervision for Accurate Machine-Learning Interatomic Potentials

Austin Rodriguez, Justin S. Smith, Sakib Matin, Nicholas Lubbers, Kipton Barros, Jose L. Mendoza-Cortes

Comments 30 pages, 5 figures, 6 suplementary figures

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The Hessian matrix (second derivatives) encodes far richer local curvature of the potential energy surface than energies and forces alone. However, training machine-learning interatomic potentials (MLIPs) with full Hessians is often impractical because explicitly forming and storing Hessian matrices scales quadratically in cost and memory. We introduce Projected Hessian Learning (PHL), a scalable second-order training framework that injects curvature information using only Hessian-vector products (HVPs). Rather than constructing the Hessian, PHL projects curvature along stochastic probe directions and uses an unbiased stochastic trace-based loss with favorable system-size scaling, enabling curvature-informed training without quadratic memory growth. We benchmark PHL on a chemically diverse dataset of reactants, products, transition states, intrinsic reaction coordinates, and normal-mode sampled geometries computed at omegaB97XD/6-31G(d). We compare energy-force training (E-F), two HVP-based schemes (E-F-HVP with one-hot or randomized probes), and full energy-force-Hessian training (E-F-H). With randomized probes per minibatch, both HVP schemes match full-Hessian training in energy, force, and Hessian accuracy while delivering >24x epoch speedups for the small molecular systems studied. In a fixed-probe regime with one HVP per molecule, randomized projections consistently outperform one-column probing, especially for far-from-equilibrium geometries. Overall, PHL replaces explicit Hessian supervision with force-complexity curvature training, retaining most second-order accuracy gains while scaling to larger, more complex molecular systems.

2603.04480 2026-03-06 q-bio.QM cs.LG

AbAffinity: A Large Language Model for Predicting Antibody Binding Affinity against SARS-CoV-2

Faisal Bin Ashraf, Animesh Ray, Stefano Lonardi

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Machine learning-based antibody design is emerging as one of the most promising approaches to combat infectious diseases, due to significant advancements in the field of artificial intelligence and an exponential surge in experimental antibody data (in particular related to COVID-19). The ability of an antibody to bind to an antigens (called binding affinity) is one of the the most critical properties in designing neutralizing antibodies. In this study we introduce Ab-Affinity, a new large language model that can accurately predict the binding affinity of antibodies against a target peptide, e.g., the SARS-CoV-2 spike protein. Code and model are available at https://github.com/ucrbioinfo/AbAffinity.

2603.04479 2026-03-06 stat.ML cs.LG math.PR math.ST stat.AP stat.TH

Bayesian Modeling of Collatz Stopping Times: A Probabilistic Machine Learning Perspective

Nicolò Bonacorsi, Matteo Bordoni

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We study the Collatz total stopping time $τ(n)$ over $n\le 10^7$ from a probabilistic machine learning viewpoint. Empirically, $τ(n)$ is a skewed and heavily overdispersed count with pronounced arithmetic heterogeneity. We develop two complementary models. First, a Bayesian hierarchical Negative Binomial regression (NB2-GLM) predicts $τ(n)$ from simple covariates ($\log n$ and residue class $n \bmod 8$), quantifying uncertainty via posterior and posterior predictive distributions. Second, we propose a mechanistic generative approximation based on the odd-block decomposition: for odd $m$, write $3m+1=2^{K(m)}m'$ with $m'$ odd and $K(m)=v_2(3m+1)\ge 1$; randomizing these block lengths yields a stochastic approximation calibrated via a Dirichlet-multinomial update. On held-out data, the NB2-GLM achieves substantially higher predictive likelihood than the odd-block generators. Conditioning the block-length distribution on $m\bmod 8$ markedly improves the generator's distributional fit, indicating that low-order modular structure is a key driver of heterogeneity in $τ(n)$.

2603.04473 2026-03-06 stat.ML cs.IT cs.LG math.IT

Dictionary Based Pattern Entropy for Causal Direction Discovery

Harikrishnan N B, Shubham Bhilare, Aditi Kathpalia, Nithin Nagaraj

Comments 13 pages

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Discovering causal direction from temporal observational data is particularly challenging for symbolic sequences, where functional models and noise assumptions are often unavailable. We propose a novel \emph{Dictionary Based Pattern Entropy ($DPE$)} framework that infers both the direction of causation and the specific subpatterns driving changes in the effect variable. The framework integrates \emph{Algorithmic Information Theory} (AIT) and \emph{Shannon Information Theory}. Causation is interpreted as the emergence of compact, rule based patterns in the candidate cause that systematically constrain the effect. $DPE$ constructs direction-specific dictionaries and quantifies their influence using entropy-based measures, enabling a principled link between deterministic pattern structure and stochastic variability. Causal direction is inferred via a minimum-uncertainty criterion, selecting the direction exhibiting stronger and more consistent pattern-driven organization. As summarized in Table 7, $DPE$ consistently achieves reliable performance across diverse synthetic systems, including delayed bit-flip perturbations, AR(1) coupling, 1D skew-tent maps, and sparse processes, outperforming or matching competing AIT-based methods ($ETC_E$, $ETC_P$, $LZ_P$). In biological and ecological datasets, performance is competitive, while alternative methods show advantages in specific genomic settings. Overall, the results demonstrate that minimizing pattern level uncertainty yields a robust, interpretable, and broadly applicable framework for causal discovery.

2603.04455 2026-03-06 cs.NI cs.AI cs.GT

Large Language Models as Bidding Agents in Repeated HetNet Auction

Ismail Lotfi, Ali Ghrayeb, Samson Lasaulce, Merouane Debbah

Comments Accepted at WCNC 2026. Code available here: https://github.com/ismail0T/Strategic_Bidding_HetNet

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This paper investigates the integration of large language models (LLMs) as reasoning agents in repeated spectrum auctions within heterogeneous networks (HetNets). While auction-based mechanisms have been widely employed for efficient resource allocation, most prior works assume one-shot auctions, static bidder behavior, and idealized conditions. In contrast to traditional formulations where base station (BS) association and power allocation are centrally optimized, we propose a distributed auction-based framework in which each BS independently conducts its own multi-channel auction, and user equipments (UEs) strategically decide both their association and bid values. Within this setting, UEs operate under budget constraints and repeated interactions, transforming resource allocation into a long-term economic decision rather than a one-shot optimization problem. The proposed framework enables the evaluation of diverse bidding behaviors -from classical myopic and greedy policies to LLM-based agents capable of reasoning over historical outcomes, anticipating competition, and adapting their bidding strategy across episodes. Simulation results reveal that the LLM-empowered UE consistently achieves higher channel access frequency and improved budget efficiency compared to benchmarks. These findings highlight the potential of reasoning-enabled agents in future decentralized wireless networks markets and pave the way for lightweight, edge-deployable LLMs to support intelligent resource allocation in next-generation HetNets.

2603.04450 2026-03-06 cs.LO cs.AI cs.LG cs.SE

MPBMC: Multi-Property Bounded Model Checking with GNN-guided Clustering

Soumik Guha Roy, Sumana Ghosh, Ansuman Banerjee, Raj Kumar Gajavelly, Sudhakar Surendran

Comments 6 pages, 5 figures

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Formal verification of designs with multiple properties has been a long-standing challenge for the verification research community. The task of coming up with an effective strategy that can efficiently cluster properties to be solved together has inspired a number of proposals, ranging from structural clustering based on the property cone of influence (COI) to leverage runtime design and verification statistics. In this paper, we present an attempt towards functional clustering of properties utilizing graph neural network (GNN) embeddings for creating effective property clusters. We propose a hybrid approach that can exploit neural functional representations of hardware circuits and runtime design statistics to speed up the performance of Bounded Model Checking (BMC) in the context of multi-property verification (MPV). Our method intelligently groups properties based on their functional embedding and design statistics, resulting in speedup in verification results. Experimental results on the HWMCC benchmarks show the efficacy of our proposal with respect to the state-of-the-art.

2603.04443 2026-03-06 cs.DC cs.AI cs.LG cs.SY eess.SY

AMV-L: Lifecycle-Managed Agent Memory for Tail-Latency Control in Long-Running LLM Systems

Emmanuel Bamidele

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Long-running LLM agents require persistent memory to preserve state across interactions, yet most deployed systems manage memory with age-based retention (e.g., TTL). While TTL bounds item lifetime, it does not bound the computational footprint of memory on the request path: as retained items accumulate, retrieval candidate sets and vector similarity scans can grow unpredictably, yielding heavy-tailed latency and unstable throughput. We present AMV-L (Adaptive Memory Value Lifecycle), a memory-management framework that treats agent memory as a managed systems resource. AMV-L assigns each memory item a continuously updated utility score and uses value-driven promotion, demotion, and eviction to maintain lifecycle tiers; retrieval is restricted to a bounded, tier-aware candidate set that decouples the request-path working set from total retained memory. We implement AMV-L in a full-stack LLM serving system and evaluate it under identical long-running workloads against two baselines: TTL and an LRU working-set policy, with fixed prompt-injection caps. Relative to TTL, AMV-L improves throughput by 3.1x and reduces latency by 4.2x (median), 4.7x (p95), and 4.4x (p99), while reducing the fraction of requests exceeding 2s from 13.8% to 0.007%. Compared to LRU, AMV-L trades a small regression in median/p95 latency (+26% / +3%) for improved extreme-tail behavior (-15% p99; -98% >2s) and lower token overhead (approximately 6% fewer tokens/request), while matching retrieval quality (value means within approximately 0-2%). The gains arise primarily from bounding retrieval-set size and vector-search work, not from shortening prompts. Our results show that predictable performance for long-running LLM agents requires explicit control of memory working-set size and value-driven lifecycle management, rather than retention time alone.

2603.04441 2026-03-06 q-fin.PM cs.LG q-fin.MF

Explainable Regime Aware Investing

Amine Boukardagha

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We propose an explainable regime-aware portfolio construction framework based on a strictly causal Wasserstein Hidden Markov Model. The model combines rolling Gaussian HMM inference with predictive model-order selection and template-based identity tracking using the 2-Wasserstein distance between Gaussian components. This allows regime complexity to adapt dynamically while preserving stable economic interpretation. Regime probabilities are embedded into a transaction-cost-aware mean-variance optimization framework and evaluated on a diversified daily cross-asset universe. Relative to equal-weight and SPX buy-and-hold benchmarks, the Wasserstein HMM achieves materially higher risk-adjusted performance with Sharpe ratios of 2.18 versus 1.59 and 1.18 and substantially lower maximum drawdown of negative 5.43 percent versus negative 14.62 percent for SPX. During the early 2025 equity selloff labeled Liberation Day, the strategy dynamically reduced equity exposure and shifted toward defensive assets, mitigating peak-to-trough losses. Compared to a nonparametric KNN conditional-moment estimator using the same features and optimization layer, the parametric regime model produces materially lower turnover and smoother weight evolution. The results demonstrate that regime inference stability, particularly identity preservation and adaptive complexity control, is a first-order determinant of portfolio drawdown and implementation robustness in daily asset allocation.

2603.04440 2026-03-06 q-bio.NC cs.AI cs.ET

A systematic approach to answering the easy problems of consciousness based on an executable cognitive system

Qi Zhang

Comments 21 pages, 2 figure, 3 tables

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Consciousness is the window of the brain and reflects many fundamental cognitive properties involving both computational and cognitive mechanisms. A collection of these properties was described as the "easy problems" by Chalmers, including the ability to discriminate, categorize, and react to stimuli; information integration; reportability; information access; attention; deliberate control; and the difference between wakefulness and sleep. These "easy problems" have not been systematically addressed. This study presents a first attempt to address them systematically based on an executable cognitive system and its implemented computational mechanisms, built upon an understanding of conceptual knowledge proposed by Kant. The study suggests that the abilities to discriminate, categorize, react, report, and integrate information can all be derived from the system's learning mechanism; attention and deliberate control are goal-oriented and can be attributed to emotional states and its information-manipulation mechanism; and the difference between wakefulness and dream sleep lies mainly in the source of stimuli. The connections between the implemented mechanisms in the executive system and conclusions drawn from empirical findings are also discussed, and many of these discussions and conclusions are supported by demonstrations of the executive system.

2603.04433 2026-03-06 cs.NI cs.LG cs.MA

Auction-Based RIS Allocation With DRL: Controlling the Cost-Performance Trade-Off

Martin Mark Zan, Stefan Schwarz

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We study the allocation of reconfigurable intelligent surfaces (RISs) in a multi-cell wireless network, where base stations compete for control of shared RIS units deployed at the cell edges. These RISs, provided by an independent operator, are dynamically leased to the highest bidder using a simultaneously ascending auction format. Each base station estimates the utility of acquiring additional RISs based on macroscopic channel parameters, enabling a scalable and low-overhead allocation mechanism. To optimize the bidding behavior, we integrate deep reinforcement learning (DRL) agents that learn to maximize performance while adhering to budget constraints. Through simulations in clustered cell-edge environments, we demonstrate that reinforcement learning (RL)-based bidding significantly outperforms heuristic strategies, achieving optimal trade-offs between cost and spectral efficiency. Furthermore, we introduce a tunable parameter that governs the bidding aggressiveness of RL agents, enabling a flexible control of the trade-off between network performance and expenditure. Our results highlight the potential of combining auction-based allocation with adaptive RL mechanisms for efficient and fair utilization of RISs in next-generation wireless networks.

2603.03848 2026-03-06 eess.SY cs.MA cs.RO cs.SY

Dual-Interaction-Aware Cooperative Control Strategy for Alleviating Mixed Traffic Congestion

Zhengxuan Liu, Yuxin Cai, Yijing Wang, Xiangkun He, Chen Lv, Zhiqiang Zuo

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As Intelligent Transportation System (ITS) develops, Connected and Automated Vehicles (CAVs) are expected to significantly reduce traffic congestion through cooperative strategies, such as in bottleneck areas. However, the uncertainty and diversity in the behaviors of Human-Driven Vehicles (HDVs) in mixed traffic environments present major challenges for CAV cooperation. This paper proposes a Dual-Interaction-Aware Cooperative Control (DIACC) strategy that enhances both local and global interaction perception within the Multi-Agent Reinforcement Learning (MARL) framework for Connected and Automated Vehicles (CAVs) in mixed traffic bottleneck scenarios. The DIACC strategy consists of three key innovations: 1) A Decentralized Interaction-Adaptive Decision-Making (D-IADM) module that enhances actor's local interaction perception by distinguishing CAV-CAV cooperative interactions from CAV-HDV observational interactions. 2) A Centralized Interaction-Enhanced Critic (C-IEC) that improves critic's global traffic understanding through interaction-aware value estimation, providing more accurate guidance for policy updates. 3) A reward design that employs softmin aggregation with temperature annealing to prioritize interaction-intensive scenarios in mixed traffic. Additionally, a lightweight Proactive Safety-based Action Refinement (PSAR) module applies rule-based corrections to accelerate training convergence. Experimental results demonstrate that DIACC significantly improves traffic efficiency and adaptability compared to rule-based and benchmark MARL models.

2603.03804 2026-03-06 cs.CR cs.AI cs.CE

Zero-Knowledge Proof (ZKP) Authentication for Offline CBDC Payment System Using IoT Devices

Santanu Mondal, T. Chithralekha

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Central Bank Digital Currency (CBDCs) are becoming a new digital financial tool aimed at financial inclusion, increased monetary stability, and improved efficiency of payment systems, as they are issued by central banks. One of the most important aspects is that the CBDC must offer secure offline payment methods to users, allowing them to retain cash-like access without violating Anti-Money Laundering and Counter-terrorism Financing (AML/CFT) rules. The offline CBDC ecosystems will provide financial inclusion, empower underserved communities, and ensure equitable access to digital payments, even in connectivity-poor remote locations. With the rapid growth of Internet of Things (IoT) devices in our everyday lives, they are capable of performing secure digital transactions. Integrating offline CBDC payment with IoT devices enables seamless, automated payment without internet connectivity. However, IoT devices face special challenges due to their resource-constrained nature. This makes it difficult to include features such as double-spending prevention, privacy preservation, low-computation operation, and digital identity management. The work proposes a privacy-preserving offline CBDC model with integrated secure elements (SEs), zero-knowledge proofs (ZKPs), and intermittent synchronisation to conduct offline payments on IoT hardware. The proposed model is based on recent improvements in offline CBDC prototypes, regulations and cryptographic design choices such as hybrid architecture that involves using combination of online and offline payment in IoT devices using secure hardware with lightweight zero-knowledge proof cryptographic algorithm.

2603.03589 2026-03-06 cs.DB cs.LG

stratum: A System Infrastructure for Massive Agent-Centric ML Workloads

Arnab Phani, Elias Strauss, Sebastian Schelter

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Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate, validate, and optimize complete ML pipelines. These agents predominantly operate over popular Python ML libraries and exhibit highly exploratory behavior. This results in thousands of executions for data profiling, pipeline generation, and iterative refinement of pipeline stages. However, the existing Python-based ML ecosystem is built around libraries such as Pandas and scikit-learn, which are designed for human-centric, interactive, sequential workflows and remain constrained by Python's interpretive execution model, library-level isolation, and limited runtime support for executing large numbers of pipelines. Meanwhile, many high-performance ML systems proposed by the systems community either target narrow workload classes or require specialized programming models, which limits their integration with the Python ML ecosystem and makes them largely ill-suited for LLM-based agents. This growing mismatch exposes a fundamental systems challenge in supporting agentic pipeline search at scale. We therefore propose stratum, a unified system infrastructure that decouples pipeline execution from planning and reasoning during agentic pipeline search. Stratum integrates seamlessly with existing Python libraries, compiles batches of pipelines into optimized execution graphs, and efficiently executes them across heterogeneous backends, including a novel Rust-based runtime. We present stratum's architectural vision along with an early prototype, discuss key design decisions, and outline open challenges and research directions. Finally, preliminary experiments show that stratum can significantly speed up large-scale agentic pipeline search up to 16.6x.

2603.01919 2026-03-06 cs.CR cs.AI cs.SE

Real Money, Fake Models: Deceptive Model Claims in Shadow APIs

Yage Zhang, Yukun Jiang, Zeyuan Chen, Michael Backes, Xinyue Shen, Yang Zhang

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Access to frontier large language models (LLMs), such as GPT-5 and Gemini-2.5, is often hindered by high pricing, payment barriers, and regional restrictions. These limitations drive the proliferation of $\textit{shadow APIs}$, third-party services that claim to provide access to official model services without regional limitations via indirect access. Despite their widespread use, it remains unclear whether shadow APIs deliver outputs consistent with those of the official APIs, raising concerns about the reliability of downstream applications and the validity of research findings that depend on them. In this paper, we present the first systematic audit between official LLM APIs and corresponding shadow APIs. We first identify 17 shadow APIs that have been utilized in 187 academic papers, with the most popular one reaching 5,966 citations and 58,639 GitHub stars by December 6, 2025. Through multidimensional auditing of three representative shadow APIs across utility, safety, and model verification, we uncover both indirect and direct evidence of deception practices in shadow APIs. Specifically, we reveal performance divergence reaching up to $47.21\%$, significant unpredictability in safety behaviors, and identity verification failures in $45.83\%$ of fingerprint tests. These deceptive practices critically undermine the reproducibility and validity of scientific research, harm the interests of shadow API users, and damage the reputation of official model providers.

2603.01270 2026-03-06 eess.AS cs.CL cs.LG cs.SD eess.SP

VoxKnesset: A Large-Scale Longitudinal Hebrew Speech Dataset for Aging Speaker Modeling

Yanir Marmor, Arad Zulti, David Krongauz, Adam Gabet, Yoad Snapir, Yair Lifshitz, Eran Segal

Comments 4 pages, 5 figures, 2 tables

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Speech processing systems face a fundamental challenge: the human voice changes with age, yet few datasets support rigorous longitudinal evaluation. We introduce VoxKnesset, an open-access dataset of ~2,300 hours of Hebrew parliamentary speech spanning 2009-2025, comprising 393 speakers with recording spans of up to 15 years. Each segment includes aligned transcripts and verified demographic metadata from official parliamentary records. We benchmark modern speech embeddings (WavLM-Large, ECAPA-TDNN, Wav2Vec2-XLSR-1B) on age prediction and speaker verification under longitudinal conditions. Speaker verification EER rises from 2.15\% to 4.58\% over 15 years for the strongest model, and cross-sectionally trained age regressors fail to capture within-speaker aging, while longitudinally trained models recover a meaningful temporal signal. We publicly release the dataset and pipeline to support aging-robust speech systems and Hebrew speech processing.

2602.24009 2026-03-06 cs.CR cs.AI cs.CL cs.LG

Jailbreak Foundry: From Papers to Runnable Attacks for Reproducible Benchmarking

Zhicheng Fang, Jingjie Zheng, Chenxu Fu, Wei Xu

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Jailbreak techniques for large language models (LLMs) evolve faster than benchmarks, making robustness estimates stale and difficult to compare across papers due to drift in datasets, harnesses, and judging protocols. We introduce JAILBREAK FOUNDRY (JBF), a system that addresses this gap via a multi-agent workflow to translate jailbreak papers into executable modules for immediate evaluation within a unified harness. JBF features three core components: (i) JBF-LIB for shared contracts and reusable utilities; (ii) JBF-FORGE for the multi-agent paper-to-module translation; and (iii) JBF-EVAL for standardizing evaluations. Across 30 reproduced attacks, JBF achieves high fidelity with a mean (reproduced-reported) attack success rate (ASR) deviation of +0.26 percentage points. By leveraging shared infrastructure, JBF reduces attack-specific implementation code by nearly half relative to original repositories and achieves an 82.5% mean reused-code ratio. This system enables a standardized AdvBench evaluation of all 30 attacks across 10 victim models using a consistent GPT-4o judge. By automating both attack integration and standardized evaluation, JBF offers a scalable solution for creating living benchmarks that keep pace with the rapidly shifting security landscape.

2602.24007 2026-03-06 q-bio.BM cs.LG

Inference-time optimization for experiment-grounded protein ensemble generation

Advaith Maddipatla, Anar Rzayev, Marco Pegoraro, Martin Pacesa, Paul Schanda, Ailie Marx, Sanketh Vedula, Alex M. Bronstein

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Protein function relies on dynamic conformational ensembles, yet current generative models like AlphaFold3 often fail to produce ensembles that match experimental data. Recent experiment-guided generators attempt to address this by steering the reverse diffusion process. However, these methods are limited by fixed sampling horizons and sensitivity to initialization, often yielding thermodynamically implausible results. We introduce a general inference-time optimization framework to solve these challenges. First, we optimize over latent representations to maximize ensemble log-likelihood, rather than perturbing structures post hoc. This approach eliminates dependence on diffusion length, removes initialization bias, and easily incorporates external constraints. Second, we present novel sampling schemes for drawing Boltzmann-weighted ensembles. By combining structural priors from AlphaFold3 with force-field-based priors, we sample from their product distribution while balancing experimental likelihoods. Our results show that this framework consistently outperforms state-of-the-art guidance, improving diversity, physical energy, and agreement with data in X-ray crystallography and NMR, often fitting the experimental data better than deposited PDB structures. Finally, inference-time optimization experiments maximizing ipTM scores reveal that perturbing AlphaFold3 embeddings can artificially inflate model confidence. This exposes a vulnerability in current design metrics, whose mitigation could offer a pathway to reduce false discovery rates in binder engineering.

2602.18929 2026-03-06 cs.IR cs.AI

Give Users the Wheel: Towards Promptable Recommendation Paradigm

Fuyuan Lyu, Chenglin Luo, Qiyuan Zhang, Yupeng Hou, Haolun Wu, Xing Tang, Xue Liu, Jin L. C. Guo, Xiuqiang He

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Conventional sequential recommendation models have achieved remarkable success in mining implicit behavioral patterns. However, these architectures remain structurally blind to explicit user intent: they struggle to adapt when a user's immediate goal (e.g., expressed via a natural language prompt) deviates from their historical habits. While Large Language Models (LLMs) offer the semantic reasoning to interpret such intent, existing integration paradigms force a dilemma: LLM-as-a-recommender paradigm sacrifices the efficiency and collaborative precision of ID-based retrieval, while Reranking methods are inherently bottlenecked by the recall capabilities of the underlying model. In this paper, we propose Decoupled Promptable Sequential Recommendation (DPR), a model-agnostic framework that empowers conventional sequential backbones to natively support Promptable Recommendation, the ability to dynamically steer the retrieval process using natural language without abandoning collaborative signals. DPR modulates the latent user representation directly within the retrieval space. To achieve this, we introduce a Fusion module to align the collaborative and semantic signals, a Mixture-of-Experts (MoE) architecture that disentangles the conflicting gradients from positive and negative steering, and a three-stage training strategy that progressively aligns the semantic space of prompts with the collaborative space. Extensive experiments on real-world datasets demonstrate that DPR significantly outperforms state-of-the-art baselines in prompt-guided tasks while maintaining competitive performance in standard sequential recommendation scenarios.

2602.15654 2026-03-06 cs.CR cs.AI

Zombie Agents: Persistent Control of Self-Evolving LLM Agents via Self-Reinforcing Injections

Xianglin Yang, Yufei He, Shuo Ji, Bryan Hooi, Jin Song Dong

Comments Published as a workshop paper in Lifelong Agent @ ICLR 2026

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Self-evolving LLM agents update their internal state across sessions, often by writing and reusing long-term memory. This design improves performance on long-horizon tasks but creates a security risk: untrusted external content observed during a benign session can be stored as memory and later treated as instruction. We study this risk and formalize a persistent attack we call a Zombie Agent, where an attacker covertly implants a payload that survives across sessions, effectively turning the agent into a puppet of the attacker. We present a black-box attack framework that uses only indirect exposure through attacker-controlled web content. The attack has two phases. During infection, the agent reads a poisoned source while completing a benign task and writes the payload into long-term memory through its normal update process. During trigger, the payload is retrieved or carried forward and causes unauthorized tool behavior. We design mechanism-specific persistence strategies for common memory implementations, including sliding-window and retrieval-augmented memory, to resist truncation and relevance filtering. We evaluate the attack on representative agent setups and tasks, measuring both persistence over time and the ability to induce unauthorized actions while preserving benign task quality. Our results show that memory evolution can convert one-time indirect injection into persistent compromise, which suggests that defenses focused only on per-session prompt filtering are not sufficient for self-evolving agents.

2602.14071 2026-03-06 cs.OH cs.CV

Bidirectional Temporal Dynamics Modeling for EEG-based Driving Fatigue Recognition

Yip Tin Po, Jianming Wang, Yutao Miao, Jiayan Zhang, Yunxu Zhao, Xiaomin Ouyang, Zhihong Li, Nevin L. Zhang

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Driving fatigue is a major contributor to traffic accidents and poses a serious threat to road safety. Electroencephalography (EEG) provides a direct measurement of neural activity, yet EEG-based fatigue recognition is hindered by strong non-stationarity and asymmetric neural dynamics. To address these challenges, we propose DeltaGateNet, a novel framework that explicitly captures Bidirectional temporal dynamics for EEG-based driving fatigue recognition. Our key idea is to introduce a Bidirectional Delta module that decomposes first-order temporal differences into positive and negative components, enabling explicit modeling of asymmetric neural activation and suppression patterns. Furthermore, we design a Gated Temporal Convolution module to capture long-term temporal dependencies for each EEG channel using depthwise temporal convolutions and residual learning, preserving channel-wise specificity while enhancing temporal representation robustness. Extensive experiments conducted under both intra-subject and inter-subject evaluation settings on the public SEED-VIG and SADT driving fatigue datasets demonstrate that DeltaGateNet consistently outperforms existing methods. On SEED-VIG, DeltaGateNet achieves an intra-subject accuracy of 81.89% and an inter-subject accuracy of 55.55%. On the balanced SADT 2022 dataset, it attains intra-subject and inter-subject accuracies of 96.81% and 83.21%, respectively, while on the unbalanced SADT 2952 dataset, it achieves 96.84% intra-subject and 84.49% inter-subject accuracy. These results indicate that explicitly modeling Bidirectional temporal dynamics yields robust and generalizable performance under varying subject and class-distribution conditions.

2602.13308 2026-03-06 eess.IV cs.AI cs.CV

Learning to Select Like Humans: Explainable Active Learning for Medical Imaging

Ifrat Ikhtear Uddin, Longwei Wang, Xiao Qin, Yang Zhou, KC Santosh

Comments Accepted for publication IEEE Conference on Artificial Intelligence 2026, Granada, Spain

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英文摘要

Medical image analysis requires substantial labeled data for model training, yet expert annotation is expensive and time-consuming. Active learning (AL) addresses this challenge by strategically selecting the most informative samples for the annotation purpose, but traditional methods solely rely on predictive uncertainty while ignoring whether models learn from clinically meaningful features a critical requirement for clinical deployment. We propose an explainability-guided active learning framework that integrates spatial attention alignment into a sample acquisition process. Our approach advocates for a dual-criterion selection strategy combining: (i) classification uncertainty to identify informative examples, and (ii) attention misalignment with radiologist-defined regions-of-interest (ROIs) to target samples where the model focuses on incorrect features. By measuring misalignment between Grad-CAM attention maps and expert annotations using Dice similarity, our acquisition function judiciously identifies samples that enhance both predictive performance and spatial interpretability. We evaluate the framework using three expert-annotated medical imaging datasets, namely, BraTS (MRI brain tumors), VinDr-CXR (chest X-rays), and SIIM-COVID-19 (chest X-rays). Using only 570 strategically selected samples, our explainability-guided approach consistently outperforms random sampling across all the datasets, achieving 77.22% accuracy on BraTS, 52.37% on VinDr-CXR, and 52.66% on SIIM-COVID. Grad-CAM visualizations confirm that the models trained by our dual-criterion selection focus on diagnostically relevant regions, demonstrating that incorporating explanation guidance into sample acquisition yields superior data efficiency while maintaining clinical interpretability.

2601.19400 2026-03-06 math.OC cs.LG

Improved Convergence Rates of Muon Optimizer for Nonconvex Optimization

Shuntaro Nagashima, Hideaki Iiduka

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英文摘要

The Muon optimizer has recently attracted attention due to its orthogonalized first-order updates, and a deeper theoretical understanding of its convergence behavior is essential for guiding practical applications; however, existing convergence guarantees are either coarse or obtained under restrictive analytical settings. In this work, we establish sharper convergence guarantees for the Muon optimizer through a direct and simplified analysis that does not rely on restrictive assumptions on the update rule. Our results improve upon existing bounds by achieving faster convergence rates while covering a broader class of problem settings. These findings provide a more accurate theoretical characterization of Muon and offer insights applicable to a broader class of orthogonalized first-order methods.

2601.01832 2026-03-06 cs.NE cs.AI

Yukthi Opus: A Multi-Chain Hybrid Metaheuristic for Large-Scale NP-Hard Optimization

SB Danush Vikraman, Hannah Abigail, Prasanna Kesavraj, Gajanan V Honnavar

Comments 22 pages, 9 figures, includes extensive ablation studies and benchmark comparisons

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英文摘要

We present Yukthi Opus (YO), a multi-chain hybrid metaheuristic designed for NP-hard optimization under explicit evaluation budget constraints. YO integrates three complementary mechanisms in a structured two-phase architecture: Markov Chain Monte Carlo (MCMC) for global exploration, greedy local search for exploitation, and simulated annealing with adaptive reheating to enable controlled escape from local minima. A dedicated burn-in phase allocates evaluations to probabilistic exploration, after which a hybrid optimization loop refines promising candidates. YO further incorporates a spatial blacklist mechanism to avoid repeated evaluation of poor regions and a multi-chain execution strategy to improve robustness and reduce sensitivity to initialization. We evaluate YO on three benchmarks: the Rastrigin function (5D) with ablation studies, the Traveling Salesman Problem with 50 to 200 cities, and the Rosenbrock function (5D) with comparisons against established optimizers including CMA-ES, Bayesian optimization, and accelerated particle swarm optimization. Results show that MCMC exploration and greedy refinement are critical for solution quality, while simulated annealing and multi-chain execution primarily improve stability and variance reduction. Overall, YO achieves competitive performance on large and multimodal problems while maintaining predictable evaluation budgets, making it suitable for expensive black-box optimization settings.

2512.21039 2026-03-06 cs.IR cs.LG

Agentic Multi-Persona Framework for Evidence-Aware Fake News Detection

Roopa Bukke, Soumya Pandey, Suraj Kumar, Soumi Chattopadhyay, Chandranath Adak

Comments 10 pages, 3 tables, 2 figures

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英文摘要

The rapid proliferation of online misinformation threatens the stability of digital social systems and poses significant risks to public trust, policy, and safety, necessitating reliable automated fake news detection. Existing methods often struggle with multimodal content, domain generalization, and explainability. We propose AMPEND-LS, an agentic multi-persona evidence-grounded framework with LLM-SLM synergy for multimodal fake news detection. AMPEND-LS integrates textual, visual, and contextual signals through a structured reasoning pipeline powered by LLMs, augmented with reverse image search, knowledge graph paths, and persuasion strategy analysis. To improve reliability, we introduce a credibility fusion mechanism combining semantic similarity, domain trustworthiness, and temporal context, and a complementary SLM classifier to mitigate LLM uncertainty and hallucinations. Extensive experiments across three benchmark datasets demonstrate that AMPEND-LS consistently outperformed state-of-the-art baselines in accuracy, F1 score, and robustness. Qualitative case studies further highlight its transparent reasoning and resilience against evolving misinformation. This work advances the development of adaptive, explainable, and evidence-aware systems for safeguarding online information integrity.

2512.06945 2026-03-06 stat.ML cs.LG

Symmetric Aggregation of Conformity Scores for Efficient Uncertainty Sets

Nabil Alami, Jad Zakharia, Souhaib Ben Taieb

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英文摘要

Access to multiple predictive models trained for the same task, whether in regression or classification, is increasingly common in many applications. Aggregating their predictive uncertainties to produce reliable and efficient uncertainty quantification is therefore a critical but still underexplored challenge, especially within the framework of conformal prediction (CP). While CP methods can generate individual prediction sets from each model, combining them into a single, more informative set remains a challenging problem. To address this, we propose SACP (Symmetric Aggregated Conformal Prediction), a novel method that aggregates nonconformity scores from multiple predictors. SACP transforms these scores into e-values and combines them using any symmetric aggregation function. This flexible design enables a robust, data-driven framework for selecting aggregation strategies that yield sharper prediction sets. We also provide theoretical insights that help justify the validity and performance of the SACP approach. Extensive experiments on diverse datasets show that SACP consistently improves efficiency and often outperforms state-of-the-art model aggregation baselines.

2512.03098 2026-03-06 q-bio.QM cs.LG

An AI Implementation Science Study to Improve Trustworthy Data in a Large Healthcare System

Benoit L. Marteau, Andrew Hornback, Shaun Q. Tan, Christian Lowson, Jason Woloff, May D. Wang

Comments 10 pages, 7 figures. Preprint version. This manuscript has been accepted at IEEE BHI 2025. This is the author-prepared version and not the final published IEEE version. The final version will appear in IEEE Xplore

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英文摘要

The rapid growth of Artificial Intelligence (AI) in healthcare has sparked interest in Trustworthy AI and AI Implementation Science, both of which are essential for accelerating clinical adoption. However, strict regulations, gaps between research and clinical settings, and challenges in evaluating AI systems continue to hinder real-world implementation. This study presents an AI implementation case study within Shriners Childrens (SC), a large multisite pediatric system, showcasing the modernization of SCs Research Data Warehouse (RDW) to OMOP CDM v5.4 within a secure Microsoft Fabric environment. We introduce a Python-based data quality assessment tool compatible with SCs infrastructure, extending OHDsi's R/Java-based Data Quality Dashboard (DQD) and integrating Trustworthy AI principles using the METRIC framework. This extension enhances data quality evaluation by addressing informative missingness, redundancy, timeliness, and distributional consistency. We also compare systematic and case-specific AI implementation strategies for Craniofacial Microsomia (CFM) using the FHIR standard. Our contributions include a real-world evaluation of AI implementations, integration of Trustworthy AI principles into data quality assessment, and insights into hybrid implementation strategies that blend systematic infrastructure with use-case-driven approaches to advance AI in healthcare.

2511.19500 2026-03-06 cond-mat.mtrl-sci cs.AI cs.LG

CycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery

Hou Hei Lam, Jiangjie Qiu, Xiuyuan Hu, Wentao Li, Fankun Zeng, Siwei Fu, Hao Zhang, Xiaonan Wang

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英文摘要

Organic photovoltaic (OPV) materials offer a promising path toward sustainable energy generation, but their development is limited by the difficulty of identifying high performance donor and acceptor pairs with strong power conversion efficiencies (PCEs). Existing design strategies typically focus on either the donor or the acceptor alone, rather than using a unified approach capable of modeling both components. In this work, we introduce a dual machine learning framework for OPV discovery that combines predictive modeling with generative molecular design. We present the Organic Photovoltaic Donor Acceptor Dataset (OPV2D), the largest curated dataset of its kind, containing 2000 experimentally characterized donor acceptor pairs. Using this dataset, we develop the Organic Photovoltaic Classifier (OPVC) to predict whether a material exhibits OPV behavior, and a hierarchical graph neural network that incorporates multi task learning and donor acceptor interaction modeling. This framework includes the Molecular Orbital Energy Estimator (MOE2) for predicting HOMO and LUMO energy levels, and the Photovoltaic Performance Predictor (P3) for estimating PCE. In addition, we introduce the Material Generative Pretrained Transformer (MatGPT) to produce synthetically accessible organic semiconductors, guided by a reinforcement learning strategy with three objective policy optimization. By linking molecular representation learning with performance prediction, our framework advances data driven discovery of high performance OPV materials.