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 Deep Learning


Discovery Learning accelerates battery design evaluation

arXiv.org Artificial Intelligence

Fast and reliable validation of novel designs in complex physical systems such as batteries is critical to accelerating technological innovation. However, battery research and development remain bottlenecked by the prohibitively high time and energy costs required to evaluate numerous new design candidates, particularly in battery prototyping and life testing. Despite recent progress in data-driven battery lifetime prediction, existing methods require labeled data of target designs to improve accuracy and cannot make reliable predictions until after prototyping, thus falling far short of the efficiency needed to enable rapid feedback for battery design. Here, we introduce Discovery Learning (DL), a scientific machine-learning paradigm that integrates active learning, physics-guided learning, and zero-shot learning into a human-like reasoning loop, drawing inspiration from learning theories in educational psychology. DL can learn from historical battery designs and actively reduce the need for prototyping, thus enabling rapid lifetime evaluation for unobserved material-design combinations without requiring additional data labeling. To test DL, we present 123 industrial-grade large-format lithium-ion pouch cells, spanning eight material-design combinations and diverse cycling protocols. Trained solely on public datasets of small-capacity cylindrical cells, DL achieves 7.2% test error in predicting the average cycle life under unknown device variability. This results in savings of 98% in time and 95% in energy compared to industrial practices. This work highlights the potential of uncovering insights from historical designs to inform and accelerate the development of next-generation battery technologies. DL represents a key advance toward efficient data-driven modeling and helps realize the promise of machine learning for accelerating scientific discovery and engineering innovation.


AuthPrint: Fingerprinting Generative Models Against Malicious Model Providers

arXiv.org Artificial Intelligence

Abstract--Generative models are increasingly adopted in high-stakes domains, yet current deployments offer no mechanisms to verify whether a given output truly originates from the certified model. We address this gap by extending model fingerprinting techniques beyond the traditional collaborative setting to one where the model provider itself may act adversarially, replacing the certified model with a cheaper or lower-quality substitute. T o our knowledge, this is the first work to study fingerprinting for provenance attribution under such a threat model. Our approach introduces a trusted verifier that, during a certification phase, extracts hidden fingerprints from the authentic model's output space and trains a detector to recognize them. During verification, this detector can determine whether new outputs are consistent with the certified model, without requiring specialized hardware or model modifications. In extensive experiments, our methods achieve near-zero FPR@95%TPR on both GANs and diffusion models, and remain effective even against subtle architectural or training changes. Furthermore, the approach is robust to adaptive adversaries that actively manipulate outputs in an attempt to evade detection. Recent advances in generative AI have led to the widespread deployment of generative models across various domains, with providers of generative AI services increasingly monetizing their models by offering subscription-based access. However, this rapid adoption has raised serious concerns about the risks posed by these models, particularly in safety-critical domains, such as healthcare and defense, where erroneous model outputs can have disastrous consequences [1]. In response, policymakers are introducing legal frameworks to regulate the use of AI and, in particular, the deployment of generative models. For instance, the European Union's AI Act mandates independent, periodic audits for "high-risk" AI systems deployed in domains such as healthcare, education, employment, and critical infrastructure [2]. This requirement to pass or be certified by an audit raises a critical question: How can users verify that a given output indeed originated from the audited model?


Turning Internal Gap into Self-Improvement: Promoting the Generation-Understanding Unification in MLLMs

arXiv.org Artificial Intelligence

Although unified MLLMs aim to unify generation and understanding, they are considered to exhibit an internal gap, with understanding outperforming generation. Through large-scale evaluation across multiple MLLMs and tasks, we confirm the widespread non-unification of MLLMs, and demonstrate that it indeed stems from weak generation rather than misunderstanding. This finding motivates us to propose a simple yet effective internal gap-based self-improvement framework, which mitigates internal gaps by leveraging stronger understanding to guide weaker generation without relying on any external signals. We validate this strategy through comprehensive experiments: scoring generations with understanding to construct image data for post-training (e.g., SFT and DPO) significantly improves generation while promoting unification. Furthermore, we empirically discover a co-improvement effect of such self-improvement, a phenomenon well known in pre-training but underexplored in post-training. Specifically, as generation improves, understanding becomes more effective at detecting false positives that were previously misclassified as prompt-aligned. To explain this effect, we extend learning dynamic theory to the MLLM setting, showing that the shared empirical neural tangent kernel between generation and understanding encourages aligned learning dynamics, thereby driving co-improvement. This interplay between generation and understanding further motivates a curriculum learning approach for stronger self-improvement: progressively enhanced understanding and generation revisit samples underutilized by pre-trained MLLMs, dynamically expanding post-training data and leading to improved performance and unification.


NoHumansRequired: Autonomous High-Quality Image Editing Triplet Mining

arXiv.org Artificial Intelligence

Recent advances in generative modeling enable image editing assistants that follow natural language instructions without additional user input. Their supervised training requires millions of triplets (original image, instruction, edited image), yet mining pixel-accurate examples is hard. Each edit must affect only prompt-specified regions, preserve stylistic coherence, respect physical plausibility, and retain visual appeal. The lack of robust automated edit-quality metrics hinders reliable automation at scale. We present an automated, modular pipeline that mines high-fidelity triplets across domains, resolutions, instruction complexities, and styles. Built on public generative models and running without human intervention, our system uses a task-tuned Gemini validator to score instruction adherence and aesthetics directly, removing any need for segmentation or grounding models. Inversion and compositional bootstrapping enlarge the mined set by approx. 2.6x, enabling large-scale high-fidelity training data. By automating the most repetitive annotation steps, the approach allows a new scale of training without human labeling effort. To democratize research in this resource-intensive area, we release NHR-Edit, an open dataset of 720k high-quality triplets, curated at industrial scale via millions of guided generations and validator passes, and we analyze the pipeline's stage-wise survival rates, providing a framework for estimating computational effort across different model stacks. In the largest cross-dataset evaluation, it surpasses all public alternatives. We also release Bagel-NHR-Edit, a fine-tuned Bagel model with state-of-the-art metrics.


Blending Supervised and Reinforcement Fine-Tuning with Prefix Sampling

arXiv.org Artificial Intelligence

Existing post-training techniques for large language models are broadly categorized into Supervised Fine-Tuning (SFT) and Reinforcement Fine-Tuning (RFT). Each paradigm presents a distinct trade-off: SFT excels at mimicking demonstration data but can lead to problematic generalization as a form of behavior cloning. Conversely, RFT can significantly enhance a model's performance but is prone to learn unexpected behaviors, and its performance is highly sensitive to the initial policy. In this paper, we propose a unified view of these methods and introduce Prefix-RFT, a hybrid approach that synergizes learning from both demonstration and exploration. Using mathematical reasoning problems as a testbed, we empirically demonstrate that Prefix-RFT is both simple and effective. It not only surpasses the performance of standalone SFT and RFT but also outperforms parallel mixed-policy RFT methods. A key advantage is its seamless integration into existing open-source frameworks, requiring only minimal modifications to the standard RFT pipeline. Our analysis highlights the complementary nature of SFT and RFT, and validates that Prefix-RFT effectively harmonizes these two learning paradigms. Furthermore, ablation studies confirm the method's robustness to variations in the quality and quantity of demonstration data. We hope this work offers a new perspective on LLM post-training, suggesting that a unified paradigm that judiciously integrates demonstration and exploration could be a promising direction for future research.


Why Settle for One? Text-to-ImageSet Generation and Evaluation

arXiv.org Artificial Intelligence

Despite remarkable progress in Text-to-Image models, many real-world applications require generating coherent image sets with diverse consistency requirements. Existing consistent methods often focus on a specific domain with specific aspects of consistency, which significantly constrains their generalizability to broader applications. In this paper, we propose a more challenging problem, Text-to-ImageSet (T2IS) generation, which aims to generate sets of images that meet various consistency requirements based on user instructions. To systematically study this problem, we first introduce $\textbf{T2IS-Bench}$ with 596 diverse instructions across 26 subcategories, providing comprehensive coverage for T2IS generation. Building on this, we propose $\textbf{T2IS-Eval}$, an evaluation framework that transforms user instructions into multifaceted assessment criteria and employs effective evaluators to adaptively assess consistency fulfillment between criteria and generated sets. Subsequently, we propose $\textbf{AutoT2IS}$, a training-free framework that maximally leverages pretrained Diffusion Transformers' in-context capabilities to harmonize visual elements to satisfy both image-level prompt alignment and set-level visual consistency. Extensive experiments on T2IS-Bench reveal that diverse consistency challenges all existing methods, while our AutoT2IS significantly outperforms current generalized and even specialized approaches. Our method also demonstrates the ability to enable numerous underexplored real-world applications, confirming its substantial practical value. Visit our project in https://chengyou-jia.github.io/T2IS-Home.


ReasonFlux-PRM: Trajectory-Aware PRMs for Long Chain-of-Thought Reasoning in LLMs

arXiv.org Artificial Intelligence

Process Reward Models (PRMs) have recently emerged as a powerful framework for supervising intermediate reasoning steps in large language models (LLMs). Previous PRMs are primarily trained on model final output responses and struggle to evaluate intermediate thinking trajectories robustly, especially in the emerging setting of trajectory-response outputs generated by frontier reasoning models like Deepseek-R1. In this work, we introduce ReasonFlux-PRM, a novel trajectory-aware PRM explicitly designed to evaluate the trajectory-response type of reasoning traces. ReasonFlux-PRM incorporates both step-level and trajectory-level supervision, enabling fine-grained reward assignment aligned with structured chain-of-thought data. We adapt ReasonFlux-PRM to support reward supervision under both offline and online settings, including (i) selecting high-quality model distillation data for downstream supervised fine-tuning of smaller models, (ii) providing dense process-level rewards for policy optimization during reinforcement learning, and (iii) enabling reward-guided Best-of-N test-time scaling. Empirical results on challenging downstream benchmarks such as AIME, MATH500, and GPQA-Diamond demonstrate that ReasonFlux-PRM-7B selects higher quality data than strong PRMs (e.g., Qwen2.5-Math-PRM-72B) and human-curated baselines. Furthermore, our derived ReasonFlux-PRM-7B yields consistent performance improvements, achieving average gains of 12.1% in supervised fine-tuning, 4.5% in reinforcement learning, and 6.3% in test-time scaling. We also release our efficient ReasonFlux-PRM-1.5B for resource-constrained applications and edge deployment. Project: https://github.com/Gen-Verse/ReasonFlux


A Simple "Motivation" Can Enhance Reinforcement Finetuning of Large Reasoning Models

arXiv.org Artificial Intelligence

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful learn-to-reason paradigm for Large Reasoning Models to tackle complex tasks. However, current RLVR paradigm is still not efficient enough, as it works in a trial-and-error manner. To perform better, the model needs to explore the reward space by numerously generating responses and learn from fragmented reward signals, blind to the overall reward patterns. Fortunately, verifiable rewards make the natural language description of the reward function possible, and meanwhile, LLMs have demonstrated strong in-context learning ability. This motivates us to explore if Large Reasoning Models can benefit from a motivation of the task, i.e., awareness of the reward function, during the reinforcement finetuning process, as we humans sometimes do when learning. In this paper, we introduce Motivation-enhanced Reinforcement Finetuning (MeRF), an intuitive yet effective method enhancing reinforcement finetuning of LLMs by involving ``telling LLMs rules of the game''. Specifically, MeRF directly injects the reward specification into the prompt, which serves as an in-context motivation for the model to be aware of the optimization objective. This simple modification leverages the in-context learning ability of LLMs, aligning generation with optimization, thereby incentivizing the model to generate desired outputs from both inner motivation and external reward. Empirical evaluations demonstrate that MeRF achieves substantial performance gains over RLVR baseline. Moreover, ablation studies show that MeRF performs better with greater consistency between the in-context motivation and the external reward function, while the model also demonstrates an ability to adapt to misleading motivations through reinforcement finetuning.


THCM-CAL: Temporal-Hierarchical Causal Modelling with Conformal Calibration for Clinical Risk Prediction

arXiv.org Artificial Intelligence

Automated clinical risk prediction from electronic health records (EHRs) demands modeling both structured diagnostic codes and unstructured narrative notes. However, most prior approaches either handle these modalities separately or rely on simplistic fusion strategies that ignore the directional, hierarchical causal interactions by which narrative observations precipitate diagnoses and propagate risk across admissions. In this paper, we propose THCM-CAL, a Temporal-Hierarchical Causal Model with Conformal Calibration. Our framework constructs a multimodal causal graph where nodes represent clinical entities from two modalities: Textual propositions extracted from notes and ICD codes mapped to textual descriptions. Through hierarchical causal discovery, THCM-CAL infers three clinically grounded interactions: intra-slice same-modality sequencing, intra-slice cross-modality triggers, and inter-slice risk propagation. To enhance prediction reliability, we extend conformal prediction to multi-label ICD coding, calibrating per-code confidence intervals under complex co-occurrences. Experimental results on MIMIC-III and MIMIC-IV demonstrate the superiority of THCM-CAL.


VRAIL: Vectorized Reward-based Attribution for Interpretable Learning

arXiv.org Artificial Intelligence

We propose VRAIL (Vectorized Reward-based Attribution for Interpretable Learning), a bi-level framework for value-based reinforcement learning (RL) that learns interpretable weight representations from state features. VRAIL consists of two stages: a deep learning (DL) stage that fits an estimated value function using state features, and an RL stage that uses this to shape learning via potential-based reward transformations. The estimator is modeled in either linear or quadratic form, allowing attribution of importance to individual features and their interactions. Empirical results on the Taxi-v3 environment demonstrate that VRAIL improves training stability and convergence compared to standard DQN, without requiring environment modifications. Further analysis shows that VRAIL uncovers semantically meaningful subgoals, such as passenger possession, highlighting its ability to produce human-interpretable behavior. Our findings suggest that VRAIL serves as a general, model-agnostic framework for reward shaping that enhances both learning and interpretability.