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Received — 25 February 2026 ⏭ cs.AI, q-bio.NC updates on arXiv.org

K-Search: LLM Kernel Generation via Co-Evolving Intrinsic World Model

arXiv:2602.19128v1 Announce Type: new Abstract: Optimizing GPU kernels is critical for efficient modern machine learning systems yet remains challenging due to the complex interplay of design factors and rapid hardware evolution. Existing automated approaches typically treat Large Language Models (LLMs) merely as stochastic code generators within heuristic-guided evolutionary loops. These methods often struggle with complex kernels requiring coordinated, multi-step structural transformations, as they lack explicit planning capabilities and frequently discard promising strategies due to inefficient or incorrect intermediate implementations. To address this, we propose Search via Co-Evolving World Model and build K-Search based on this method. By replacing static search heuristics with a co-evolving world model, our framework leverages LLMs' prior domain knowledge to guide the search, actively exploring the optimization space. This approach explicitly decouples high-level algorithmic planning from low-level program instantiation, enabling the system to navigate non-monotonic optimization paths while remaining resilient to temporary implementation defects. We evaluate K-Search on diverse, complex kernels from FlashInfer, including GQA, MLA, and MoE kernels. Our results show that K-Search significantly outperforms state-of-the-art evolutionary search methods, achieving an average 2.10x improvement and up to a 14.3x gain on complex MoE kernels. On the GPUMode TriMul task, K-Search achieves state-of-the-art performance on H100, reaching 1030us and surpassing both prior evolution and human-designed solutions.

CRCC: Contrast-Based Robust Cross-Subject and Cross-Site Representation Learning for EEG

arXiv:2602.19138v1 Announce Type: new Abstract: EEG-based neural decoding models often fail to generalize across acquisition sites due to structured, site-dependent biases implicitly exploited during training. We reformulate cross-site clinical EEG learning as a bias-factorized generalization problem, in which domain shifts arise from multiple interacting sources. We identify three fundamental bias factors and propose a general training framework that mitigates their influence through data standardization and representation-level constraints. We construct a standardized multi-site EEG benchmark for Major Depressive Disorder and introduce CRCC, a two-stage training paradigm combining encoder-decoder pretraining with joint fine-tuning via cross-subject/site contrastive learning and site-adversarial optimization. CRCC consistently outperforms state-of-the-art baselines and achieves a 10.7 percentage-point improvement in balanced accuracy under strict zero-shot site transfer, demonstrating robust generalization to unseen environments.

DoAtlas-1: A Causal Compilation Paradigm for Clinical AI

arXiv:2602.19158v1 Announce Type: new Abstract: Medical foundation models generate narrative explanations but cannot quantify intervention effects, detect evidence conflicts, or validate literature claims, limiting clinical auditability. We propose causal compilation, a paradigm that transforms medical evidence from narrative text into executable code. The paradigm standardizes heterogeneous research evidence into structured estimand objects, each explicitly specifying intervention contrast, effect scale, time horizon, and target population, supporting six executable causal queries: do-calculus, counterfactual reasoning, temporal trajectories, heterogeneous effects, mechanistic decomposition, and joint interventions. We instantiate this paradigm in DoAtlas-1, compiling 1,445 effect kernels from 754 studies through effect standardization, conflict-aware graph construction, and real-world validation (Human Phenotype Project, 10,000 participants). The system achieves 98.5% canonicalization accuracy and 80.5% query executability. This paradigm shifts medical AI from text generation to executable, auditable, and verifiable causal reasoning.

Proximity-Based Multi-Turn Optimization: Practical Credit Assignment for LLM Agent Training

arXiv:2602.19225v1 Announce Type: new Abstract: Multi-turn LLM agents are becoming pivotal to production systems, spanning customer service automation, e-commerce assistance, and interactive task management, where accurately distinguishing high-value informative signals from stochastic noise is critical for sample-efficient training. In real-world scenarios, a failure in a trivial task may reflect random instability, whereas success in a high-difficulty task signifies a genuine capability breakthrough. Yet, existing group-based policy optimization methods rigidly rely on statistical deviation within discrete batches, frequently misallocating credit when task difficulty fluctuates. To address this issue, we propose Proximity-based Multi-turn Optimization (ProxMO), a practical and robust framework engineered specifically for the constraints of real-world deployment. ProxMO integrates global context via two lightweight mechanisms: success-rate-aware modulation dynamically adapts gradient intensity based on episode-level difficulty, while proximity-based soft aggregation derives baselines through continuous semantic weighting at the step level. Extensive evaluations on ALFWorld and WebShop benchmarks demonstrate that ProxMO yields substantial performance gains over existing baselines with negligible computational cost. Ablation studies further validate the independent and synergistic efficacy of both mechanisms. Crucially, ProxMO offers plug-and-play compatibility with standard GRPO frameworks, facilitating immediate, low-friction adoption in existing industrial training pipelines. Our implementation is available at: \href{https://anonymous.4open.science/r/proxmo-B7E7/README.md}{https://anonymous.4open.science/r/proxmo}.

ComplLLM: Fine-tuning LLMs to Discover Complementary Signals for Decision-making

arXiv:2602.19458v1 Announce Type: new Abstract: Multi-agent decision pipelines can outperform single agent workflows when complementarity holds, i.e., different agents bring unique information to the table to inform a final decision. We propose ComplLLM, a post-training framework based on decision theory that fine-tunes a decision-assistant LLM using complementary information as reward to output signals that complement existing agent decisions. We validate ComplLLM on synthetic and real-world tasks involving domain experts, demonstrating how the approach recovers known complementary information and produces plausible explanations of complementary signals to support downstream decision-makers.

Human-Guided Agentic AI for Multimodal Clinical Prediction: Lessons from the AgentDS Healthcare Benchmark

arXiv:2602.19502v1 Announce Type: new Abstract: Agentic AI systems are increasingly capable of autonomous data science workflows, yet clinical prediction tasks demand domain expertise that purely automated approaches struggle to provide. We investigate how human guidance of agentic AI can improve multimodal clinical prediction, presenting our approach to all three AgentDS Healthcare benchmark challenges: 30-day hospital readmission prediction (Macro-F1 = 0.8986), emergency department cost forecasting (MAE = $465.13), and discharge readiness assessment (Macro-F1 = 0.7939). Across these tasks, human analysts directed the agentic workflow at key decision points, multimodal feature engineering from clinical notes, scanned PDF billing receipts, and time-series vital signs; task-appropriate model selection; and clinically informed validation strategies. Our approach ranked 5th overall in the healthcare domain, with a 3rd-place finish on the discharge readiness task. Ablation studies reveal that human-guided decisions compounded to a cumulative gain of +0.065 F1 over automated baselines, with multimodal feature extraction contributing the largest single improvement (+0.041 F1). We distill three generalizable lessons: (1) domain-informed feature engineering at each pipeline stage yields compounding gains that outperform extensive automated search; (2) multimodal data integration requires task-specific human judgment that no single extraction strategy generalizes across clinical text, PDFs, and time-series; and (3) deliberate ensemble diversity with clinically motivated model configurations outperforms random hyperparameter search. These findings offer practical guidance for teams deploying agentic AI in healthcare settings where interpretability, reproducibility, and clinical validity are essential.

Ada-RS: Adaptive Rejection Sampling for Selective Thinking

arXiv:2602.19519v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly being deployed in cost and latency-sensitive settings. While chain-of-thought improves reasoning, it can waste tokens on simple requests. We study selective thinking for tool-using LLMs and introduce Adaptive Rejection Sampling (Ada-RS), an algorithm-agnostic sample filtering framework for learning selective and efficient reasoning. For each given context, Ada-RS scores multiple sampled completions with an adaptive length-penalized reward then applies stochastic rejection sampling to retain only high-reward candidates (or preference pairs) for downstream optimization. We demonstrate how Ada-RS plugs into both preference pair (e.g. DPO) or grouped policy optimization strategies (e.g. DAPO). Using Qwen3-8B with LoRA on a synthetic tool call-oriented e-commerce benchmark, Ada-RS improves the accuracy-efficiency frontier over standard algorithms by reducing average output tokens by up to 80% and reducing thinking rate by up to 95% while maintaining or improving tool call accuracy. These results highlight that training-signal selection is a powerful lever for efficient reasoning in latency-sensitive deployments.

SkillOrchestra: Learning to Route Agents via Skill Transfer

arXiv:2602.19672v1 Announce Type: new Abstract: Compound AI systems promise capabilities beyond those of individual models, yet their success depends critically on effective orchestration. Existing routing approaches face two limitations: (1) input-level routers make coarse query-level decisions that ignore evolving task requirements; (2) RL-trained orchestrators are expensive to adapt and often suffer from routing collapse, repeatedly invoking one strong but costly option in multi-turn scenarios. We introduce SkillOrchestra, a framework for skill-aware orchestration. Instead of directly learning a routing policy end-to-end, SkillOrchestra learns fine-grained skills from execution experience and models agent-specific competence and cost under those skills. At deployment, the orchestrator infers the skill demands of the current interaction and selects agents that best satisfy them under an explicit performance-cost trade-off. Extensive experiments across ten benchmarks demonstrate that SkillOrchestra outperforms SoTA RL-based orchestrators by up to 22.5% with 700x and 300x learning cost reduction compared to Router-R1 and ToolOrchestra, respectively. These results show that explicit skill modeling enables scalable, interpretable, and sample-efficient orchestration, offering a principled alternative to data-intensive RL-based approaches. The code is available at: https://github.com/jiayuww/SkillOrchestra.

Align When They Want, Complement When They Need! Human-Centered Ensembles for Adaptive Human-AI Collaboration

arXiv:2602.20104v1 Announce Type: new Abstract: In human-AI decision making, designing AI that complements human expertise has been a natural strategy to enhance human-AI collaboration, yet it often comes at the cost of decreased AI performance in areas of human strengths. This can inadvertently erode human trust and cause them to ignore AI advice precisely when it is most needed. Conversely, an aligned AI fosters trust yet risks reinforcing suboptimal human behavior and lowering human-AI team performance. In this paper, we start by identifying this fundamental tension between performance-boosting (i.e., complementarity) and trust-building (i.e., alignment) as an inherent limitation of the traditional approach for training a single AI model to assist human decision making. To overcome this, we introduce a novel human-centered adaptive AI ensemble that strategically toggles between two specialist AI models - the aligned model and the complementary model - based on contextual cues, using an elegantly simple yet provably near-optimal Rational Routing Shortcut mechanism. Comprehensive theoretical analyses elucidate why the adaptive AI ensemble is effective and when it yields maximum benefits. Moreover, experiments on both simulated and real-world data show that when humans are assisted by the adaptive AI ensemble in decision making, they can achieve significantly higher performance than when they are assisted by single AI models that are trained to either optimize for their independent performance or even the human-AI team performance.

DEFNet: Multitasks-based Deep Evidential Fusion Network for Blind Image Quality Assessment

arXiv:2507.19418v1 Announce Type: cross Abstract: Blind image quality assessment (BIQA) methods often incorporate auxiliary tasks to improve performance. However, existing approaches face limitations due to insufficient integration and a lack of flexible uncertainty estimation, leading to suboptimal performance. To address these challenges, we propose a multitasks-based Deep Evidential Fusion Network (DEFNet) for BIQA, which performs multitask optimization with the assistance of scene and distortion type classification tasks. To achieve a more robust and reliable representation, we design a novel trustworthy information fusion strategy. It first combines diverse features and patterns across sub-regions to enhance information richness, and then performs local-global information fusion by balancing fine-grained details with coarse-grained context. Moreover, DEFNet exploits advanced uncertainty estimation technique inspired by evidential learning with the help of normal-inverse gamma distribution mixture. Extensive experiments on both synthetic and authentic distortion datasets demonstrate the effectiveness and robustness of the proposed framework. Additional evaluation and analysis are carried out to highlight its strong generalization capability and adaptability to previously unseen scenarios.

FineRef: Fine-Grained Error Reflection and Correction for Long-Form Generation with Citations

arXiv:2602.18437v1 Announce Type: cross Abstract: Generating with citations is crucial for trustworthy Large Language Models (LLMs), yet even advanced LLMs often produce mismatched or irrelevant citations. Existing methods over-optimize citation fidelity while overlooking relevance to the user query, which degrades answer quality and robustness in real-world settings with noisy or irrelevant retrieved content. Moreover, the prevailing single-pass paradigm struggles to deliver optimal answers in long-form generation that requiring multiple citations. To address these limitations, we propose FineRef, a framework based on Fine-grained error Reflection, which explicitly teaches the model to self-identify and correct two key citation errors, mismatch and irrelevance, on a per-citation basis. FineRef follows a two-stage training strategy. The first stage instills an "attempt-reflect-correct" behavioral pattern via supervised fine-tuning, using fine-grained and controllable reflection data constructed by specialized lightweight models. An online self-reflective bootstrapping strategy is designed to improve generalization by iteratively enriching training data with verified, self-improving examples. To further enhance the self-reflection and correction capability, the second stage applies process-level reinforcement learning with a multi-dimensional reward scheme that promotes reflection accuracy, answer quality, and correction gain. Experiments on the ALCE benchmark demonstrate that FineRef significantly improves both citation performance and answer accuracy. Our 7B model outperforms GPT-4 by up to 18% in Citation F1 and 4% in EM Recall, while also surpassing the state-of-the-art model across key evaluation metrics. FineRef also exhibits strong generalization and robustness in domain transfer settings and noisy retrieval scenarios.

Developing a Multi-Agent System to Generate Next Generation Science Assessments with Evidence-Centered Design

arXiv:2602.18451v1 Announce Type: cross Abstract: Contemporary science education reforms such as the Next Generation Science Standards (NGSS) demand assessments to understand students' ability to use science knowledge to solve problems and design solutions. To elicit such higher-order ability, educators need performance-based assessments, which are challenging to develop. One solution that has been broadly adopted is Evidence-Centered Design (ECD), which emphasizes interconnected models of the learner, evidence, and tasks. Although ECD provides a framework to safeguard assessment validity, its implementation requires diverse expertise (e.g., content and assessment), which is both costly and labor-intensive. To address this challenge, this study proposed integrating the ECD framework into Multi-Agent Systems (MAS) to generate NGSS-aligned assessment items automatically. This integrated MAS system ensembles multiple large language models with varying expertise, enabling the automation of complex, multi-stage item generation workflows traditionally performed by human experts. We examined the quality of AI-generated NGSS-aligned items and compared them with human-developed items across multiple dimensions of assessment design. Results showed that AI-generated items have overall comparable quality to human-developed items in terms of alignment with NGSS three-dimensional standards and cognitive demands. Divergent patterns also emerged: AI-generated items demonstrated a distinct strength in inclusivity, while also exhibiting limitations in clarity, conciseness, and multimodal design. AI- and human-developed items both showed weaknesses in evidence collectability and student interest alignment. These findings suggest that integrating ECD into MAS can support scalable and standards-aligned assessment design, while human expertise remains essential.

From Bias Mitigation to Bias Negotiation: Governing Identity and Sociocultural Reasoning in Generative AI

arXiv:2602.18459v1 Announce Type: cross Abstract: LLMs act in the social world by drawing upon shared cultural patterns to make social situations understandable and actionable. Because identity is often part of the inferential substrate of competent judgment, ethical alignment requires regulating when and how systems invoke identity. Yet the dominant governance regime for identity-related harm remains bias mitigation, which treats identity primarily as a source of measurable disparities or harmful associations to be detected and suppressed. This leaves underspecified a positive, context-sensitive role for identity in interpretation. We call this governance problem bias negotiation: the normative regulation of identity-conditioned judgments of sociocultural relevance, inference, and justification. Empirically, we probe the feasibility of bias negotiation through semi-structured interviews with multiple publicly deployed chatbots. We identify recurring repertoires for negotiating identity including probabilistic framing of group tendencies and harm-value balancing. We also observe failure modes in which models avoid hard tradeoffs or apply principles inconsistently. Bias negotiation matters for justice because a positive role for sociocultural reasoning is required to recognize and potentially remediate structural inequities. But it is equally implicated in core model functionality as sociocultural competence is needed for systems that operate across heterogeneous cultural contexts. Because bias negotiation is a procedural capability expressed through deliberation and interaction, it cannot be validated by static benchmarks alone. To support targeted training, we introduce a broad but explicit framework that decomposes bias negotiation into an action space of negotiation moves (what to observe and score) and a complementary set of case features (over which the model negotiates), enabling systematic test-suite design and evaluation.

Can Multimodal LLMs See Science Instruction? Benchmarking Pedagogical Reasoning in K-12 Classroom Videos

arXiv:2602.18466v1 Announce Type: cross Abstract: K-12 science classrooms are rich sites of inquiry where students coordinate phenomena, evidence, and explanatory models through discourse; yet, the multimodal complexity of these interactions has made automated analysis elusive. Existing benchmarks for classroom discourse focus primarily on mathematics and rely solely on transcripts, overlooking the visual artifacts and model-based reasoning emphasized by the Next Generation Science Standards (NGSS). We address this gap with SciIBI, the first video benchmark for analyzing science classroom discourse, featuring 113 NGSS-aligned clips annotated with Core Instructional Practices (CIP) and sophistication levels. By evaluating eight state-of-the-art LLMs and Multimodal LLMs, we reveal fundamental limitations: current models struggle to distinguish pedagogically similar practices, suggesting that CIP coding requires instructional reasoning beyond surface pattern matching. Furthermore, adding video input yields inconsistent gains across architectures. Crucially, our evidence-based evaluation reveals that models often succeed through surface shortcuts rather than genuine pedagogical understanding. These findings establish science classroom discourse as a challenging frontier for multimodal AI and point toward human-AI collaboration, where models retrieve evidence to accelerate expert review rather than replace it.

AlphaForgeBench: Benchmarking End-to-End Trading Strategy Design with Large Language Models

arXiv:2602.18481v1 Announce Type: cross Abstract: The rapid advancement of Large Language Models (LLMs) has led to a surge of financial benchmarks, evolving from static knowledge tests to interactive trading simulations. However, current evaluations of real-time trading performance overlook a critical failure mode: severe behavioral instability in sequential decision-making under uncertainty. We empirically show that LLM-based trading agents exhibit extreme run-to-run variance, inconsistent action sequences even under deterministic decoding, and irrational action flipping across adjacent time steps. These issues stem from stateless autoregressive architectures lacking persistent action memory, as well as sensitivity to continuous-to-discrete action mappings in portfolio allocation. As a result, many existing financial trading benchmarks produce unreliable, non-reproducible, and uninformative evaluations. To address these limitations, we propose AlphaForgeBench, a principled framework that reframes LLMs as quantitative researchers rather than execution agents. Instead of emitting trading actions, LLMs generate executable alpha factors and factor-based strategies grounded in financial reasoning. This design decouples reasoning from execution, enabling fully deterministic and reproducible evaluation while aligning with real-world quantitative research workflows. Experiments across multiple state-of-the-art LLMs show that AlphaForgeBench eliminates execution-induced instability and provides a rigorous benchmark for assessing financial reasoning, strategy formulation, and alpha discovery.

AdaptStress: Online Adaptive Learning for Interpretable and Personalized Stress Prediction Using Multivariate and Sparse Physiological Signals

arXiv:2602.18521v1 Announce Type: cross Abstract: Continuous stress forecasting could potentially contribute to lifestyle interventions. This paper presents a novel, explainable, and individualized approach for stress prediction using physiological data from consumer-grade smartwatches. We develop a time series forecasting model that leverages multivariate features, including heart rate variability, activity patterns, and sleep metrics, to predict stress levels across 16 temporal horizons (History window: 3, 5, 7, 9 days; forecasting window: 1, 3, 5, 7 days). Our evaluation involves 16 participants monitored for 10-15 weeks. We evaluate our approach across 16 participants, comparing against state-of-the-art time series models (Informer, TimesNet, PatchTST) and traditional baselines (CNN, LSTM, CNN-LSTM) across multiple temporal horizons. Our model achieved performance with an MSE of 0.053, MAE of 0.190, and RMSE of 0.226 in optimal settings (5-day input, 1-day prediction). A comparison with the baseline models shows that our model outperforms TimesNet, PatchTST, CNN-LSTM, LSTM, and CNN under all conditions, representing improvements of 36.9%, 25.5%, and 21.5% over the best baseline. According to the explanability analysis, sleep metrics are the most dominant and consistent stress predictors (importance: 1.1, consistency: 0.9-1.0), while activity features exhibit high inter-participant variability (0.1-0.2). Most notably, the model captures individual-specific patterns where identical features can have opposing effects across users, validating its personalization capabilities. These findings establish that consumer wearables, combined with adaptive and interpretable deep learning, can deliver relevant stress assessment adapted to individual physiological responses, providing a foundation for scalable, continuous, explainable mental health monitoring in real-world settings.

JAEGER: Joint 3D Audio-Visual Grounding and Reasoning in Simulated Physical Environments

arXiv:2602.18527v1 Announce Type: cross Abstract: Current audio-visual large language models (AV-LLMs) are predominantly restricted to 2D perception, relying on RGB video and monaural audio. This design choice introduces a fundamental dimensionality mismatch that precludes reliable source localization and spatial reasoning in complex 3D environments. We address this limitation by presenting JAEGER, a framework that extends AV-LLMs to 3D space, to enable joint spatial grounding and reasoning through the integration of RGB-D observations and multi-channel first-order ambisonics. A core contribution of our work is the neural intensity vector (Neural IV), a learned spatial audio representation that encodes robust directional cues to enhance direction-of-arrival estimation, even in adverse acoustic scenarios with overlapping sources. To facilitate large-scale training and systematic evaluation, we propose SpatialSceneQA, a benchmark of 61k instruction-tuning samples curated from simulated physical environments. Extensive experiments demonstrate that our approach consistently surpasses 2D-centric baselines across diverse spatial perception and reasoning tasks, underscoring the necessity of explicit 3D modelling for advancing AI in physical environments. Our source code, pre-trained model checkpoints and datasets will be released upon acceptance.

VLANeXt: Recipes for Building Strong VLA Models

arXiv:2602.18532v1 Announce Type: cross Abstract: Following the rise of large foundation models, Vision-Language-Action models (VLAs) emerged, leveraging strong visual and language understanding for general-purpose policy learning. Yet, the current VLA landscape remains fragmented and exploratory. Although many groups have proposed their own VLA models, inconsistencies in training protocols and evaluation settings make it difficult to identify which design choices truly matter. To bring structure to this evolving space, we reexamine the VLA design space under a unified framework and evaluation setup. Starting from a simple VLA baseline similar to RT-2 and OpenVLA, we systematically dissect design choices along three dimensions: foundational components, perception essentials, and action modelling perspectives. From this study, we distill 12 key findings that together form a practical recipe for building strong VLA models. The outcome of this exploration is a simple yet effective model, VLANeXt. VLANeXt outperforms prior state-of-the-art methods on the LIBERO and LIBERO-plus benchmarks and demonstrates strong generalization in real-world experiments. We will release a unified, easy-to-use codebase that serves as a common platform for the community to reproduce our findings, explore the design space, and build new VLA variants on top of a shared foundation.

1D-Bench: A Benchmark for Iterative UI Code Generation with Visual Feedback in Real-World

arXiv:2602.18548v1 Announce Type: cross Abstract: Design-to-code translates high-fidelity UI designs into executable front-end implementations, but progress remains hard to compare due to inconsistent datasets, toolchains, and evaluation protocols. We introduce 1D-Bench, a benchmark grounded in real e-commerce workflows, where each instance provides a reference rendering and an exported intermediate representation that may contain extraction errors. 1D is short for one day, representing the efficient completion of design-to-code tasks in less than one day. Models take both as input, using the intermediate representation as structural cues while being evaluated against the reference rendering, which tests robustness to intermediate representation defects rather than literal adherence. 1D-Bench requires generating an executable React codebase under a fixed toolchain with an explicit component hierarchy, and defines a multi-round setting in which models iteratively apply component-level edits using execution feedback. Experiments on commercial and open-weight multimodal models show that iterative editing generally improves final performance by increasing rendering success and often improving visual similarity. We further conduct a pilot study on post-training with synthetic repair trajectories and reinforcement learning based editing, and observe limited and unstable gains that may stem from sparse terminal rewards and high-variance file-level updates.

From Static Spectra to Operando Infrared Dynamics: Physics Informed Flow Modeling and a Benchmark

arXiv:2602.18551v1 Announce Type: cross Abstract: The Solid Electrolyte Interphase (SEI) is critical to the performance of lithium-ion batteries, yet its analysis via Operando Infrared (IR) spectroscopy remains experimentally complex and expensive, which limits its accessibility for standard research facilities. To overcome this bottleneck, we formulate a novel task, Operando IR Prediction, which aims to forecast the time-resolved evolution of spectral ``fingerprints'' from a single static spectrum. To facilitate this, we introduce OpIRSpec-7K, the first large-scale operando dataset comprising 7,118 high-quality samples across 10 distinct battery systems, alongside OpIRBench, a comprehensive evaluation benchmark with carefully designed protocols. Addressing the limitations of standard spectrum, video, and sequence models in capturing voltage-driven chemical dynamics and complex composition, we propose Aligned Bi-stream Chemical Constraint (ABCC), an end-to-end physics-aware framework. It reformulates MeanFlow and introduces a novel Chemical Flow to explicitly model reaction trajectories, employs a two-stream disentanglement mechanism for solvent-SEI separation, and enforces physics and spectrum constraints such as mass conservation and peak shifts. ABCC significantly outperforms state-of-the-art static, sequential, and generative baselines. ABCC even generalizes to unseen systems and enables interpretable downstream recovery of SEI formation pathways, supporting AI-driven electrochemical discovery.
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