arXiv:2605.25735v1 Announce Type: new
Abstract: Problem formulation translating customer needs and constraints into a minimum set of independent first-level functional requirements, is arguably the most critical step in every design framework, including axiomatic design yet it is frequently misunderstood or underestimated in practice. This paper focuses exclusively on problem formulation in axiomatic design it clarifies what first-level FRs are (and are not), explains why they should not legitimately vary across designers given the same needs and constraints, and highlights intrinsic difficulties and recurring pitfalls that lead to design failure. The discussion is grounded primarily in Nam P.Suh's three books. The Principles of Design, Axiomatic Design Advances and Applications, and Complexity Theory, and it offers practical guidance to help designers formulate well-posed first-level FRs. Finally, the paper briefly revisits problem formulation in the era of large language models and discusses what such tools can (and cannot) contribute at the first level.
Science Journals
arXiv:2605.25673v1 Announce Type: new
Abstract: Security evaluations inherently depend on stable identifiers. Any finding, audit, or regulatory decision must remain attached to the specific artifact it pertains to. Continuously updated artificial intelligence systems violate this core assumption, with public model designations remaining static while underlying weights, prompts, retrieval mechanisms, misuse classifiers, inference settings, and serving infrastructures undergo unannounced modifications. Consequently, current evaluations frequently apply to superficial labels rather than identifiable and distinct systems.
To resolve this, we propose referential security as a new paradigm for AI evaluation. The fundamental security question extends beyond whether a model is safe to whether subsequent parties can conclusively determine which system a specific safety claim addressed. This approach reframes model identity as an empirically verifiable property and separates referential stability from the substantive security claims it conditions. This framework brings tractability to three critical workflows that current practices handle poorly. Specifically, it enables reproducible evaluation, longitudinal audit validity, and cross-provider equivalence. By grounding these evaluations in verifiable artifacts, our approach ensures that safety audits and regulatory findings maintain their empirical utility across the operational lifecycle of dynamic systems.
arXiv:2407.17277v3 Announce Type: replace
Abstract: We introduce data to predictive control, D2PC, a framework to facilitate the design of robust and predictive controllers from data. The proposed framework is designed for discrete-time stochastic linear systems with output measurements and provides a principled design of a predictive controller based on data. The framework builds on a parameter identification method based on the Expectation-Maximization algorithm, which incorporates pre-defined structural constraints. An asymptotic approximation is leveraged to quantify the uncertainty in the parameter estimates. As the main contributions, a robust control and predictive control design are proposed tailored to the uncertainty characterization resulting from the identification. In particular, a strategy to synthesize robust dynamic output-feedback controllers is presented. Furthermore, a predictive control scheme that guarantees recursive feasibility and satisfaction of chance constraints is developed. This framework marks a significant advancement in integrating data-driven models into robust and predictive control designs. We demonstrate the efficacy of D2PC through a numerical example involving a $10$-dimensional spring-mass-damper system.
arXiv:2601.05004v2 Announce Type: replace
Abstract: Self-destructive behaviors are linked to complex psychological states and can be challenging to diagnose. These behaviors may be even harder to identify within subcultural groups due to their unique expressions. As large language models (LLMs) being deployed across various fields, some researchers have begun exploring their application for detecting self-destructive behaviors. Motivated by this, we investigate self-destructive behavior detection within subcultures using current LLM-based methods. However, these methods have two main challenges: (1) Knowledge Lag: Subcultural slang evolves rapidly, faster than LLMs' training cycles; and (2) Semantic Misalignment: it is challenging to grasp the specific and nuanced expressions unique to subcultures. To address these issues, we propose Subcultural Alignment Solver (SAS), a multi-agent framework that incorporates automatic retrieval and subculture alignment, significantly boosting the performance of LLMs in detecting self-destructive behavior. Our experimental results show that SAS outperforms the current advanced multi-agent framework OWL. Notably, it competes well with fine-tuned LLMs. We hope that SAS will advance the field of self-destructive behavior detection in subcultural contexts and serve as a valuable resource for future researchers.
arXiv:2601.05483v2 Announce Type: replace
Abstract: Understanding urban environment change is essential for sustainable development. However, current approaches, particularly remote sensing change detection, often rely on rigid, single-modal analysis. To overcome these limitations, we propose MMUEChange, a multi-modal agent framework that flexibly integrates heterogeneous urban data via a modular toolkit and a core module, Modality Controller for cross- and intra-modal alignment, enabling robust analysis of complex urban change scenarios. Case studies include: a shift toward small, community-focused parks in New York, reflecting local green space efforts; the spread of concentrated water pollution across districts in Hong Kong, pointing to coordinated water management; and a notable decline in open dumpsites in Shenzhen, with contrasting links between nighttime economic activity and waste types, indicating differing urban pressures behind domestic and construction waste. Compared to the best-performing baseline, the MMUEChange agent achieves a 46.7% improvement in task success rate and effectively mitigates hallucination, demonstrating its capacity to support complex urban change analysis tasks with real-world policy implications.
arXiv:2601.05613v2 Announce Type: replace
Abstract: While collaborative forecasting on distributed time series is highly desirable, directly pooling localized datasets is often impractical due to data sharing constraints. Federated learning offers a promising alternative, yet conventional federated learning algorithms require homogeneous model architectures, which are incompatible with the structural discrepancies, such as unaligned temporal resolutions and mismatched variable channels, commonly observed across decentralized nodes. To bridge this gap, we introduce PiXTime, a novel Transformer-based framework designed to natively accommodate and leverage structurally heterogeneous temporal data. At its core, PiXTime adopts a parameter-decoupling architecture, strategically partitioning the model into localized personalized modules and a globally aggregated shared backbone. Specifically, node-specific local modules act as dimensional adapters, projecting raw sequences of diverse lengths into a unified representation space. Concurrently, a globally synchronized VE Table injects consistent categorical identities into the feature space, allowing the shared backbone to collaboratively learn and generalize representations across inconsistent variable distributions. Comprehensive evaluations on multiple benchmarks demonstrate that PiXTime achieves state-of-the-art performance in heterogeneous federated environments, while maintaining robust superiority in standard homogeneous and centralized forecasting settings.
arXiv:2601.05847v2 Announce Type: replace
Abstract: We revisit the problem of constructing interoperable patient digital twins from unstructured electronic health records (EHRs) and argue that the task is better cast not as a cascade of extraction modules but as constrained generation of a valid FHIR bundle. We introduce SG-LLM, a schema-grounded LLM extractor that (i) augments the prompt with candidate SNOMED-CT, RxNorm, and LOINC codes retrieved through a SapBERT index, (ii) decodes under a JSON Schema derived directly from FHIR R4 StructureDefinitions, and (iii) closes a validator-in-the-loop repair stage whose diagnostics are fed back as structured error messages. We argue that the twin's usefulness, not only span-level F1, is the right object of evaluation, and operationalize this with a clinical-utility experiment that measures the gap in 30-day readmission AUROC between classifiers trained on SG-LLM-generated FHIR bundles versus expert-curated ones. On MIMIC-IV and n2c2 2018 Track 2 benchmarks, SG-LLM matches or exceeds strong joint-extraction and vanilla-LLM baselines while producing substantially more valid bundles. Ablations isolate the contributions of retrieval, schema constraint, and the repair loop. All code, prompts, and schemas are released.
arXiv:2601.06201v2 Announce Type: replace
Abstract: Enterprises are confronted with an unprecedented escalation in cybersecurity vulnerabilities, with thousands of new CVEs disclosed each month. Conventional prioritization frameworks such as CVSS offer static severity metrics that fail to account for exploit probability, compliance urgency, and operational impact, resulting in inefficient and delayed remediation. This paper introduces RiskBridge, an explainable and compliance-aware vulnerability management framework that integrates multi-source intelligence from CVSS v4, EPSS, and CISA KEV to produce dynamic, business -- aligned patch priorities. RiskBridge employs a probabilistic Zero-Day Exposure Simulation (ZDES) model to forecast near-term exploit likelihood, a Policy-as-Code Engine to translate regulatory mandates (e.g., PCI DSS, NIST SP 800-53) into automated SLA logic, and an ROI-driven Optimizer to maximize cumulative risk reduction per remediation effort. Experimental evaluations using live CVE datasets demonstrate an 88% reduction in residual risk, an 18-day improvement in SLA compliance, and a 35% increase in remediation efficiency compared to state-of-the-art commercial baselines. These findings validate RiskBridge as a practical and auditable decision-intelligence system that unifies probabilistic modeling, compliance reasoning, and optimization analytics. The framework represents a step toward automated, explainable, and business-centric vulnerability management in modern enterprise environments
arXiv:2601.06366v3 Announce Type: replace
Abstract: Large Language Models (LLMs) are transforming enterprise workflows but introduce security and ethics challenges when employees inadvertently share confidential data or generate policy-violating content. This paper proposes SafeGPT, a two-sided guardrail system preventing sensitive data leakage and unethical outputs. SafeGPT integrates input-side detection/redaction, output-side moderation/reframing, and human-in-the-loop feedback. Experiments demonstrate SafeGPT effectively reduces data leakage risk and biased outputs while maintaining satisfaction.
arXiv:2307.12151v3 Announce Type: replace
Abstract: Conventional power system optimization framework is becoming less reliable and efficient due to the stability issues brought by the ever-increasing inverter-interfaced renewable penetration. To ensure system stability during system operation and to provide appropriate incentives in the future market-based stability maintenance framework, it is essential to develop a comprehensive set of power system stability constraints which can be incorporated into system optimization. In this paper, different system stability issues, including synchronization, voltage and frequency stability, are investigated and the corresponding stability conditions are analytically formulated as system operational constraints. A unified framework is further proposed to represent the stability constraints in a general form and enable effective reformulation of the impedance-based stability metrics. All the constraints are converted into linear or Second-Order-Cone (SOC) form, which can be readily implemented in any optimization-based applications, such as system scheduling, planning and market design, thus providing significant value for multiple system stability enhancement and studies.
arXiv:2605.24606v1 Announce Type: new
Abstract: This paper provides an initial description of the Method of Simultaneous Solutions, a Monte Carlo approach that simultaneously solves multiple Boltzmann-transport-like phenomena. Here, it is used to simultaneously solve the neutron transport and heat conduction equations. Analytically-derived weighting factors are tracked through a neutron transport-governed random walk to tally statistical estimators that can be used to calculate the temperature distribution. In this initial presentation, the method is readily applicable to neutron-heat multiphysics problems where the heat source and neutron source are identically distributed spatially. The primary theoretical benefit of MOSS lies in the reduction of computational cost that occurs from the removal of a dedicated routine to solve the heat conduction equation. Practically, branching processes required to capture the disparate boundary conditions associated with these separate physical phenomena can lead to large computational times dedicated to a single physics. In addition, this correlated sampling-based method can suffer from infinite variance associated with statistical estimators if the stochastic processes being tracked are too different. The final drawback demonstrated in this paper is that the approximation of heat conduction as a Boltzmann transport-governed process leads to errors in calculated temperatures. The paper explores these drawbacks on two demonstration problems, a problem consisting of slab geometry and a problem consisting of a hexagonal pin cell.
arXiv:2605.24832v1 Announce Type: new
Abstract: Large language model (LLM) serving is fundamentally limited by inefficient hardware utilization. Autoregressive (AR) decoding underutilizes GPUs due to its strictly sequential execution, while diffusion LLMs (DLLMs) improve throughput by decoding multiple tokens per iteration. However, fixed block-size diffusion decoding exhibits strong load sensitivity: large blocks exploit idle GPU resources under low load, but saturate early and incur substantial redundant computation under high load. As a result, throughput gains vanish beyond saturation, and no single decoding granularity performs well across dynamic serving workloads.
We present Optimus, a serving system that enables elastic decoding for diffusion LLMs by dynamically adapting decoding granularity to runtime load. The key idea is to treat decoding granularity as a runtime control variable, balancing GPU utilization and token efficiency. Optimus combines chunked decoding, which enables fine-grained execution without retraining, with saturation-aware scheduling, a closed-loop mechanism that selects chunk sizes based on runtime conditions. Together with system-level optimizations and customized attention kernels, Optimus achieves significant performance improvements while preserving model accuracy. Experiments show that Optimus delivers up to 6.1x throughput improvement over AR decoding and 4.3x improvement over fixed-block diffusion LLM, while maintaining stable performance across diverse load regimes and improving end-to-end serving capacity under latency constraints. The source code is available at https://github.com/dubcyfor3/Optimus.
arXiv:2407.20595v5 Announce Type: replace
Abstract: Authorship attribution asks whether two pieces of text share a writer, but topical confound makes the task deceptively easy: two authors covering the same topic may look more alike than one author covering two topics. Scholarly prose offers a natural remedy, academic writers produce multiple papers on related but distinct topics while maintaining consistent stylistic habits. We introduce HALvest, a 17-billion-token multilingual corpus of open-access academic papers, and its English contrastive derivative HALvest-Contrastive, where same-author passages are drawn from distinct papers within a disciplinary field to minimize topical overlap. We validate our benchmark by showing that a strong lexical baseline collapses once topical shortcuts are removed. On this same benchmark, we revisit how authorship is scored. Standard systems compress each document into a single vector. We instead keep a sequence of vectors and compare them with late interaction, then propose patch-level late interaction, which groups neighboring tokens into patches before matching. Matching at the sequence level greatly improves performance over the single-vector baseline, but the optimal interaction granularity is subtle.
arXiv:2605.25109v1 Announce Type: new
Abstract: Soft pneumatic actuators are widely used in soft robotics because they can produce large motions while remaining compliant enough to interact safely with objects, environments, and the human body. However, their performance is not solely determined by pressure. Instead, the response depends on the way the actuator is built, including the shape of its chambers, the placement of reinforcements, the use of folds, material stiffness, and the constraints that guide its deformation. As the literature has expanded, it has become more difficult to determine which mechanism is most suitable for a given application and which reported results can be compared across studies. This review examines soft pneumatic actuators according to the design strategies used to generate four motion classes: linear, bending, twisting, and omnidirectional actuation. For each class, it analyzes the structural features that define the deformation path, including braid angle, fold geometry, fiber orientation, chamber arrangement, structural asymmetry, and internal constraint layers. It then discusses how the design choice affect motion output, force generation, air demand, repeatability, durability, fabrication difficulty, and robotic integration. The review further identifies key conditions that must be considered when selecting or comparing actuators, including pressure, loading condition, actuator size, pneumatic supply, and hysteresis This approach helps explain why actuators with similar motion outputs may differ substantially in design requirements, pneumatic demand, and practical suitability. It also highlights the design priorities needed for compact, efficient, repeatable, and deployable soft pneumatic systems in wearable, biomedical, and mobile robotic applications.
arXiv:2601.06870v2 Announce Type: replace
Abstract: Multimodal large language models have demonstrated strong ability in capturing semantic representations for multimodal sentiment analysis. Their capacity to learn stable and generalizable multimodal features is limited, however, by the scarcity of high-quality training data. To address this, we propose QASA (Quality-Aware Semantic Augmentation), which uses diffusion models to generate augmented visual and auditory samples, thereby enlarging the training dataset and supporting multimodal learning. The generated samples can vary in quality and may exhibit cross-modal inconsistencies. To manage this, we introduce a decoupled quality-aware scoring module that assigns training weights based on the reliability of each augmented sample. This approach reduces the influence of low-quality data and contributes to more stable and robust model training. The framework combines the generative capabilities of diffusion models with the semantic reasoning of multimodal large models, providing an automated data augmentation strategy that does not require human annotation while improving generalization and robustness under limited high-quality data. Experiments on the CH-SIMS dataset show that QASA yields a relative increase of 18.0\% and 5.9\% in five-class accuracy (Acc5) and binary accuracy (Acc2), respectively, and it also outperforms existing methods on the CMU-MOSI and MUStARD benchmarks.
arXiv:2601.09305v2 Announce Type: replace
Abstract: Developing Reynolds-averaged Navier-Stokes (RANS) turbulence models that remain accurate across diverse flow regimes is a long-standing challenge. In this work, we propose a novel framework, termed the progressive mixture-of-experts (PMoE), designed to enable continual learning for RANS turbulence modelling. The framework employs a modular autoencoder-based router to associate each flow scenario with a specialised turbulence model, referred to as an expert. When a new flow regime cannot be adequately represented by the existing router and expert set, a new expert together with its routing component can be introduced at low cost, without modifying or degrading previously trained ones, thereby naturally avoiding catastrophic forgetting. The framework is applied to a range of flows with distinct physical characteristics, including airfoil wake, channel, periodic hill, and square duct flows. The resulting PMoE model effectively integrates multiple experts and achieves improved predictive accuracy across both seen and unseen test cases that differ in operating conditions or configurations. Owing to sparse activation, model expansion does not incur additional computational cost during inference. The proposed framework therefore provides a scalable pathway towards lifelong-learning turbulence models for industrial computational fluid dynamics.
arXiv:2409.00346v5 Announce Type: replace
Abstract: In medical image segmentation, specialized computer vision techniques, notably transformers grounded in attention mechanisms and residual networks employing skip connections, have been instrumental in advancing performance. Nonetheless, previous models often falter when segmenting small, irregularly shaped tumors. To this end, we introduce SMAFormer, an efficient, Transformer-based architecture that fuses multiple attention mechanisms for enhanced segmentation of small tumors and organs. SMAFormer can capture both local and global features for medical image segmentation. The architecture comprises two pivotal components. First, a Synergistic Multi-Attention (SMA) Transformer block is proposed, which has the benefits of Pixel Attention, Channel Attention, and Spatial Attention for feature enrichment. Second, addressing the challenge of information loss incurred during attention mechanism transitions and feature fusion, we design a Feature Fusion Modulator. This module bolsters the integration between the channel and spatial attention by mitigating reshaping-induced information attrition. To evaluate our method, we conduct extensive experiments on various medical image segmentation tasks, including multi-organ, liver tumor, and bladder tumor segmentation, achieving state-of-the-art results. Code and models are available at: https://github.com/lzeeorno/SMAFormer.
arXiv:2605.25234v1 Announce Type: new
Abstract: Epistemic uncertainty is often viewed as a reducible uncertainty that vanishes with increasing data. This perspective implicitly assumes parameter identifiability and equates epistemic uncertainty with predictive variability. In overparametrized neural networks, however, model parameters are typically non-identifiable due to symmetries and redundant representations. As a consequence, substantial parameter uncertainty can persist even when the underlying function is fully identified. In this work, we analyze epistemic uncertainty through the lens of non-identifiability and characterize both discrete and continuous sources of residual uncertainty. Focusing on one-hidden-layer ReLU networks, we thoroughly analyze the resulting posterior structure and validate our theoretical insights through empirical studies.
arXiv:2601.09931v4 Announce Type: replace
Abstract: This paper addresses unsupervised diffusion-based single-channel speech enhancement (SE). Prior work in this direction combines a score-based diffusion model trained on clean speech with a Gaussian noise model whose covariance is structured by non-negative matrix factorization (NMF). This combination is used within an iterative expectation-maximization (EM) scheme, in which a diffusion-based posterior-sampling E-step estimates the clean speech. We first revisit this framework and propose to explicitly model both speech and acoustic noise as latent variables, jointly sampling them in the E-step instead of sampling speech alone as in previous approaches. We then introduce a new semi-supervised SE framework that replaces the NMF noise prior with a diffusion-based noise model, learned jointly with the speech prior in a single conditional score model. Within this framework, we derive two variants: one that implicitly accounts for noise and one that explicitly treats noise as a latent variable. Experiments on WSJ0-QUT and VoiceBank-DEMAND show that explicit noise modeling systematically improves SE performance for both NMF-based and diffusion-based noise priors. Under matched conditions, the diffusion-based noise model attains the best overall quality and intelligibility among unsupervised methods, while under mismatched conditions the proposed NMF-based explicit-noise framework is more robust and suffers less degradation than several supervised baselines. Code, demo, and supplementary materials are publicly available.
arXiv:2601.10012v2 Announce Type: replace
Abstract: Multimodal decentralized federated learning (DFL) must support collaboration among agents that hold different modality subsets and often different model components, while operating over peer-to-peer (P2P) overlays without a coordinating server or a global network view. A key obstacle is that conventional multimodal training often relies on a single shared representation, which implicitly assumes that heterogeneous peers can exchange and aggregate the same model components over the same communication links. In multimodal DFL, this assumption breaks down: uni- and multimodal agents may push incompatible updates through shared overlays, weakening both inter-agent transfer and cross-modal interaction. We present PARSE, a server-free framework that brings partial information decomposition (PID) into multimodal DFL. Each agent splits its latent features into redundant, unique, and synergistic slices ("feature fission"), and performs slice-aware communication over modality-conditioned P2P overlays. During training, agents exchange only the slices that are semantically alignable with their neighbors, according to the modalities and model components they share ("partial alignment"). This design avoids centralized orchestration and gradient-surgery style conflict handling, while remaining compatible with standard DFL constraints and a range of P2P overlay topologies. Across multiple benchmarks and heterogeneous peer mixes, PARSE consistently outperforms task-, modality-, and hybrid-sharing multimodal DFL baselines while keeping per-link payloads bounded. Ablations on fusion choices and split ratios, together with qualitative feature analyses and overlay-topology studies, demonstrate the robustness and communication efficiency of the proposed slice-aware design.
arXiv:2601.10201v2 Announce Type: replace
Abstract: Group Relative Policy Optimization (GRPO) is widely used for critic-free Large Language Model (LLM) post-training, but its KL regularization is usually implemented as a local loss-side token penalty. We show that this misses the policy-gradient signal induced by autoregressive KL regularization. Unlike standard KL-regularized Reinforcement Learning (RL) objectives, GRPO's group normalization induces a non-linear prompt-level utility; for binary verifier rewards, this utility is $2\arcsin\sqrt p$. As a result, reward and KL cannot be fused before normalization without changing the implicit objective. We derive the on-policy gradient of GRPO-style objectives with token-wise $f$-divergence regularization. The reward term recovers the standardized GRPO advantage, while the regularizer term includes a causal future-regularization return-to-go omitted by local KL losses. For reverse KL, this yields a simple future KL correction: add a reverse cumulative sum of per-token log ratios after advantage construction. The resulting method, Future-KL Regularized Policy Optimization (FRPO), requires no critic or extra model passes. On mathematical reasoning tasks, FRPO improves pass@16 in our main large-model setting while maintaining higher entropy and lower policy drift than conventional loss-side KL baselines.
arXiv:2601.10457v3 Announce Type: replace
Abstract: Although the Gradient Boosted Decision Trees (GBDTs) dominate industrial tabular applications, upgrading legacy models in high-concurrency production environments still faces prohibitive retraining costs and systemic risks. To address this problem, we present NSR-Boost, a neuro-symbolic residual boosting framework designed specifically for industrial scenarios. Its core advantage lies in being ``non-intrusive''. It treats the legacy model as a frozen model and performs targeted repairs on "hard regions" where predictions fail. The framework comprises three key stages: First, finding hard regions through residuals, then generating interpretable experts by generating symbolic code structures using Large Language Model (LLM) and fine-tuning parameters using Bayesian optimization, and finally dynamically integrating experts with legacy model output through a lightweight aggregator. Experimental results demonstrate that the framework significantly outperforms state-of-the-art (SOTA) baselines across six public datasets and one private dataset. More importantly, we report the successful deployment of NSR-Boost within the core financial risk control system of Qfin Holdings, where empirical results on real-world online traffic exhibit superior performance improvements and a significant reduction in the bad rate. In conclusion, it effectively captures long-tail risks missed by traditional models and offers a safe, low-cost evolutionary paradigm for industry.
arXiv:2605.25580v1 Announce Type: new
Abstract: We present the first quantitative evaluation of the hybrid target concept proposed in $\mu$TRISTAN. The $\mu$TRISTAN project is a positive-muon collider concept based on the ultraslow-muon production technique, in which thermal muonium emitted from a material surface is subsequently laser-ionized. The hybrid target consists of a pion production target and a surrounding pion- and muon-stopping target that also serves as a muonium-production target. In this paper, Monte Carlo simulations of the hybrid target are performed to evaluate the yield of positive muons stopped near the tungsten surface, where they can contribute to muonium emission. The ultraslow-muon yield at the hybrid target before extraction is estimated to reach the 10$^{-3}$ level per p--Li nuclear collision, assuming unit muon-to-muonium conversion efficiency. This study provides a quantitative benchmark for hybrid-target design toward an intense ultraslow-muon source.
arXiv:2605.24803v1 Announce Type: new
Abstract: A key goal in stochastic contextual linear bandits is to efficiently learn a near-optimal policy. Prior algorithms for this problem learn a policy by strategically sampling actions but naively (passively) sampling contexts from the underlying context distribution. However, in many practical scenarios -- including online content recommendation, survey research, and clinical trials -- practitioners can actively sample or recruit contexts based on prior knowledge of the context distribution. Despite this potential for active learning, the role of strategic context sampling in stochastic contextual linear bandits is underexplored. We propose an algorithm that learns a near-optimal policy by strategically sampling rewards of context-action pairs. We prove instance-dependent theoretical guarantees demonstrating that our active context sampling strategy can improve over the minimax rate by up to a factor of $\sqrt{d}$, where $d$ is the linear dimension. We show empirically that our algorithm reduces the number of samples needed to learn a near-optimal policy, in tasks such as warfarin dose prediction and joke recommendation.
arXiv:2605.19361v2 Announce Type: replace
Abstract: Linear-response TDDFT is widely used for excited states but suffers from spin contamination in spin-conserving and spin-flip channels. Spin-adapted RPA was developed using tensor equation-of-motion and applying the Wigner-Eckart theorem with tensor decoupling. Casting the RPA Fock matrix and kernels as energy derivatives gives a TDDFT extension. To restore spin-component degeneracy, we use hybrids combining HF exchange with spin-unpolarized pure XC parts. Benchmarks, Cr$_2$ dissociation, and phenol O-H conical intersections demonstrate the method.