IdentityGuard: Context-Aware Restriction and Provenance for Personalized Synthesis

The nature of personalized text-to-image models poses a unique safety challenge that generic context-blind methods are ill-equipped to handle. Such global filters create a dilemma: to prevent misuse, they are forced to damage the model's broader utility by erasing concepts entirely, causing unacceptable collateral damage.Our work presents a more precisely targeted approach, built on the principle that security should be as context-aware as the threat itself, intrinsically bound to the personalized concept. We present IDENTITYGUARD, which realizes this principle through a conditional restriction that blocks harmful content only when combined with the personalized identity, and a concept-specific watermark for precise traceability. Experiments show our approach prevents misuse while preserving the model's utility and enabling robust traceability. By moving beyond blunt, global filters, our work demonstrates a more effective and responsible path toward AI safety.

Enhanced Diffusion Sampling: Efficient Rare Event Sampling and Free Energy Calculation with Diffusion Models

The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that generate independent samples from complex molecular distributions, eliminating the cost of sampling rare transition events. However, a sampling problem remains when computing observables that rely on states which are rare in equilibrium, for example folding free energies. Here, we introduce enhanced diffusion sampling, enabling efficient exploration of rare-event regions while preserving unbiased thermodynamic estimators. The key idea is to perform quantitatively accurate steering protocols to generate biased ensembles and subsequently recover equilibrium statistics via exact reweighting. We instantiate our framework in three algorithms: UmbrellaDiff (umbrella sampling with diffusion models), $Δ$G-Diff (free-energy differences via tilted ensembles), and MetaDiff (a batchwise analogue for metadynamics). Across toy systems, protein folding landscapes and folding free energies, our methods achieve fast, accurate, and scalable estimation of equilibrium properties within GPU-minutes to hours per system -- closing the rare-event sampling gap that remained after the advent of diffusion-model equilibrium samplers.

SAGE: Sequence-level Adaptive Gradient Evolution for Generative Recommendation

While works such as OneRec have validated the scaling laws of Large Language Models (LLMs) in recommender systems, they rely on a cumbersome separate vocabulary. This dependency prevents the model architecture from reusing native LLM vocabularies, resulting in high maintenance costs and poor scalability. In response, we aim to efficiently reuse open-source LLM architectures without constructing a separate tokenization vocabulary. Furthermore, we identify that the optimization strategy of OneRec Gradient Bounded Policy Optimization (GBPO),suffers from a "Symmetric Conservatism" problem: its static gradient boundaries structurally suppress the update momentum required for cold-start items and fail to prevent diversity collapse in high-noise environments.To address this issue, we propose SAGE (Sequence-level Adaptive Gradient Evolution), a unified optimization framework tailored for list-wise generative recommendation. SAGE introduces two key innovations:(1) Sequence-level Signal Decoupling: By combining a geometric mean importance ratio with decoupled multi-objective advantages, we eliminate token-level variance and resolve the "Reward Collapse" problem. (2) Asymmetric Adaptive Dynamics: We construct a dynamic gradient manifold that applies a "Boost Factor" to high-potential cold start items to achieve super-linear updates and employs an "Entropy Aware Penalty" to break information cocoons. Theoretical analysis and empirical results demonstrate that SAGE effectively unblocks cold-start traffic and sustains recommendation diversity, all while retaining the numerical stability of GBPO.

RecLLM-R1: A Two-Stage Training Paradigm with Reinforcement Learning and Chain-of-Thought v1

Traditional recommendation systems often grapple with "filter bubbles", underutilization of external knowledge, and a disconnect between model optimization and business policy iteration. To address these limitations, this paper introduces RecLLM-R1, a novel recommendation framework leveraging Large Language Models (LLMs) and drawing inspiration from the DeepSeek R1 methodology. The framework initiates by transforming user profiles, historical interactions, and multi-faceted item attributes into LLM-interpretable natural language prompts through a carefully engineered data construction process. Subsequently, a two-stage training paradigm is employed: the initial stage involves Supervised Fine-Tuning (SFT) to imbue the LLM with fundamental recommendation capabilities. The subsequent stage utilizes Group Relative Policy Optimization (GRPO), a reinforcement learning technique, augmented with a Chain-of-Thought (CoT) mechanism. This stage guides the model through multi-step reasoning and holistic decision-making via a flexibly defined reward function, aiming to concurrently optimize recommendation accuracy, diversity, and other bespoke business objectives. Empirical evaluations on a real-world user behavior dataset from a large-scale social media platform demonstrate that RecLLM-R1 significantly surpasses existing baseline methods across a spectrum of evaluation metrics, including accuracy, diversity, and novelty. It effectively mitigates the filter bubble effect and presents a promising avenue for the integrated optimization of recommendation models and policies under intricate business goals.

Coupled reaction and diffusion governing interface evolution in solid-state batteries

Understanding and controlling the atomistic-level reactions governing the formation of the solid-electrolyte interphase (SEI) is crucial for the viability of next-generation solid state batteries. However, challenges persist due to difficulties in experimentally characterizing buried interfaces and limits in simulation speed and accuracy. We conduct large-scale explicit reactive simulations with quantum accuracy for a symmetric battery cell, {\symcell}, enabled by active learning and deep equivariant neural network interatomic potentials. To automatically characterize the coupled reactions and interdiffusion at the interface, we formulate and use unsupervised classification techniques based on clustering in the space of local atomic environments. Our analysis reveals the formation of a previously unreported crystalline disordered phase, Li$_2$S$_{0.72}$P$_{0.14}$Cl$_{0.14}$, in the SEI, that evaded previous predictions based purely on thermodynamics, underscoring the importance of explicit modeling of full reaction and transport kinetics. Our simulations agree with and explain experimental observations of the SEI formations and elucidate the Li creep mechanisms, critical to dendrite initiation, characterized by significant Li motion along the interface. Our approach is to crease a digital twin from first principles, without adjustable parameters fitted to experiment. As such, it offers capabilities to gain insights into atomistic dynamics governing complex heterogeneous processes in solid-state synthesis and electrochemistry.

TextFlux: An OCR-Free DiT Model for High-Fidelity Multilingual Scene Text Synthesis

Diffusion-based scene text synthesis has progressed rapidly, yet existing methods commonly rely on additional visual conditioning modules and require large-scale annotated data to support multilingual generation. In this work, we revisit the necessity of complex auxiliary modules and further explore an approach that simultaneously ensures glyph accuracy and achieves high-fidelity scene integration, by leveraging diffusion models' inherent capabilities for contextual reasoning. To this end, we introduce TextFlux, a DiT-based framework that enables multilingual scene text synthesis. The advantages of TextFlux can be summarized as follows: (1) OCR-free model architecture. TextFlux eliminates the need for OCR encoders (additional visual conditioning modules) that are specifically used to extract visual text-related features. (2) Strong multilingual scalability. TextFlux is effective in low-resource multilingual settings, and achieves strong performance in newly added languages with fewer than 1,000 samples. (3) Streamlined training setup. TextFlux is trained with only 1% of the training data required by competing methods. (4) Controllable multi-line text generation. TextFlux offers flexible multi-line synthesis with precise line-level control, outperforming methods restricted to single-line or rigid layouts. Extensive experiments and visualizations demonstrate that TextFlux outperforms previous methods in both qualitative and quantitative evaluations.

Enhancing the Efficiency of Complex Systems Crystal Structure Prediction by Active Learning Guided Machine Learning Potential

Understanding multicomponent complex material systems is essential for design of advanced materials for a wide range of technological applications. While state-of-the-art crystal structure prediction (CSP) methods effectively identify new structures and assess phase stability, they face fundamental limitations when applied to complex systems. This challenge stems from the combinatorial explosion of atomic configurations and the vast stoichiometric space, both of which contribute to computational demands that rapidly exceed practical feasibility. In this work, we propose a flexible and automated workflow to build a highly generalizable and data-efficient machine learning potential (MLP), effectively unlocking the full potential of CSP algorithms. The workflow is validated on both Mg-Ca-H ternary and Be-P-N-O quaternary systems, demonstrating substantial machine learning acceleration in high-throughput structural optimization and enabling the efficient identification of promising compounds. These results underscore the effectiveness of our approach in exploring complex material systems and accelerating the discovery of new multicomponent materials.

UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion

Unified generation of sequence and structure for scientific data (e.g., materials, molecules, proteins) is a critical task. Existing approaches primarily rely on either autoregressive sequence models or diffusion models, each offering distinct advantages and facing notable limitations. Autoregressive models, such as GPT, Llama, and Phi-4, have demonstrated remarkable success in natural language generation and have been extended to multimodal tasks (e.g., image, video, and audio) using advanced encoders like VQ-VAE to represent complex modalities as discrete sequences. However, their direct application to scientific domains is challenging due to the high precision requirements and the diverse nature of scientific data. On the other hand, diffusion models excel at generating high-dimensional scientific data, such as protein, molecule, and material structures, with remarkable accuracy. Yet, their inability to effectively model sequences limits their potential as general-purpose multimodal foundation models. To address these challenges, we propose UniGenX, a unified framework that combines autoregressive next-token prediction with conditional diffusion models. This integration leverages the strengths of autoregressive models to ease the training of conditional diffusion models, while diffusion-based generative heads enhance the precision of autoregressive predictions. We validate the effectiveness of UniGenX on material and small molecule generation tasks, achieving a significant leap in state-of-the-art performance for material crystal structure prediction and establishing new state-of-the-art results for small molecule structure prediction, de novo design, and conditional generation. Notably, UniGenX demonstrates significant improvements, especially in handling long sequences for complex structures, showcasing its efficacy as a versatile tool for scientific data generation.

Uncovering inequalities in new knowledge learning by large language models across different languages

As large language models (LLMs) gradually become integral tools for problem solving in daily life worldwide, understanding linguistic inequality is becoming increasingly important. Existing research has primarily focused on static analyses that assess the disparities in the existing knowledge and capabilities of LLMs across languages. However, LLMs are continuously evolving, acquiring new knowledge to generate up-to-date, domain-specific responses. Investigating linguistic inequalities within this dynamic process is, therefore, also essential. In this paper, we explore inequalities in new knowledge learning by LLMs across different languages and four key dimensions: effectiveness, transferability, prioritization, and robustness. Through extensive experiments under two settings (in-context learning and fine-tuning) using both proprietary and open-source models, we demonstrate that low-resource languages consistently face disadvantages across all four dimensions. By shedding light on these disparities, we aim to raise awareness of linguistic inequalities in LLMs' new knowledge learning, fostering the development of more inclusive and equitable future LLMs.

Variance reduction in output from generative AI

Generative AI models, such as ChatGPT, will increasingly replace humans in producing output for a variety of important tasks. While much prior work has mostly focused on the improvement in the average performance of generative AI models relative to humans' performance, much less attention has been paid to the significant reduction of variance in output produced by generative AI models. In this Perspective, we demonstrate that generative AI models are inherently prone to the phenomenon of "regression toward the mean" whereby variance in output tends to shrink relative to that in real-world distributions. We discuss potential social implications of this phenomenon across three levels-societal, group, and individual-and two dimensions-material and non-material. Finally, we discuss interventions to mitigate negative effects, considering the roles of both service providers and users. Overall, this Perspective aims to raise awareness of the importance of output variance in generative AI and to foster collaborative efforts to meet the challenges posed by the reduction of variance in output generated by AI models.