To protect clients' right to be forgotten in federated learning, federated unlearning aims to remove the data contribution of leaving clients from the global learned model. While current studies mainly focused on enhancing unlearning efficiency and effectiveness, the crucial aspects of efficiency fairness and performance fairness among decentralized clients during unlearning have remained largely unexplored. In this study, we introduce FedShard, the first federated unlearning algorithm designed to concurrently guarantee both efficiency fairness and performance fairness. FedShard adaptively addresses the challenges introduced by dilemmas among convergence, unlearning efficiency, and unlearning fairness. Furthermore, we propose two novel metrics to quantitatively assess the fairness of unlearning algorithms, which we prove to satisfy well-known properties in other existing fairness measurements. Our theoretical analysis and numerical evaluation validate FedShard's fairness in terms of both unlearning performance and efficiency. We demonstrate that FedShard mitigates unfairness risks such as cascaded leaving and poisoning attacks and realizes more balanced unlearning costs among clients. Experimental results indicate that FedShard accelerates the data unlearning process 1.3-6.2 times faster than retraining from scratch and 4.9 times faster than the state-of-the-art exact unlearning methods.

Backdoor attacks pose a significant threat to Large Language Models (LLMs), where adversaries can embed hidden triggers to manipulate LLM's outputs. Most existing defense methods, primarily designed for classification tasks, are ineffective against the autoregressive nature and vast output space of LLMs, thereby suffering from poor performance and high latency. To address these limitations, we investigate the behavioral discrepancies between benign and back-doored LLMs in output space. We identify a critical phenomenon which we term sequence lock: a backdoored model generates the target sequence with abnormally high and consistent confidence compared to benign generation. Building on this insight, we propose ConfGuard, a lightweight and effective detection method that monitors a sliding window of token confidences to identify sequence lock. Extensive experiments demonstrate ConfGuard achieves a near 100% true positive rate (TPR) and a negligible false positive rate (FPR) in the vast majority of cases. Crucially, the ConfGuard enables real-time detection almost without additional latency, making it a practical backdoor defense for real-world LLM deployments.

A crucial factor for successful human and AI interaction is the ability of language models or chatbots to follow human instructions precisely. A common feature of instructions are output constraints like ``only answer with yes or no" or ``mention the word `abrakadabra' at least 3 times" that the user adds to craft a more useful answer. Even today's strongest models struggle with fulfilling such constraints. We find that most models strongly overfit on a small set of verifiable constraints from the benchmarks that test these abilities, a skill called precise instruction following, and are not able to generalize well to unseen output constraints. We introduce a new benchmark, IFBench, to evaluate precise instruction following generalization on 58 new, diverse, and challenging verifiable out-of-domain constraints. In addition, we perform an extensive analysis of how and on what data models can be trained to improve precise instruction following generalization. Specifically, we carefully design constraint verification modules and show that reinforcement learning with verifiable rewards (RLVR) significantly improves instruction following. In addition to IFBench, we release 29 additional new hand-annotated training constraints and verification functions, RLVR training prompts, and code.

Large Language Models (LLMs) face an inherent challenge: their knowledge is confined to the data that they have been trained on. To overcome this issue, Retrieval-Augmented Generation (RAG) complements the static training-derived knowledge of LLMs with an external knowledge repository. RAG consists of three stages: indexing, retrieval, and generation. The retrieval stage of RAG becomes a significant bottleneck in inference pipelines. In this stage, a user query is mapped to an embedding vector and an Approximate Nearest Neighbor Search (ANNS) algorithm searches for similar vectors in the database to identify relevant items. Due to the large database sizes, ANNS incurs significant data movement overheads between the host and the storage system. To alleviate these overheads, prior works propose In-Storage Processing (ISP) techniques that accelerate ANNS by performing computations inside storage. However, existing works that leverage ISP for ANNS (i) employ algorithms that are not tailored to ISP systems, (ii) do not accelerate data retrieval operations for data selected by ANNS, and (iii) introduce significant hardware modifications, limiting performance and hindering their adoption. We propose REIS, the first ISP system tailored for RAG that addresses these limitations with three key mechanisms. First, REIS employs a database layout that links database embedding vectors to their associated documents, enabling efficient retrieval. Second, it enables efficient ANNS by introducing an ISP-tailored data placement technique that distributes embeddings across the planes of the storage system and employs a lightweight Flash Translation Layer. Third, REIS leverages an ANNS engine that uses the existing computational resources inside the storage system. Compared to a server-grade system, REIS improves the performance (energy efficiency) of retrieval by an average of 13x (55x).

Large language models (LLMs) have shown great potential in medical question answering (MedQA), yet adapting them to biomedical reasoning remains challenging due to domain-specific complexity and limited supervision. In this work, we study how prompt design and lightweight fine-tuning affect the performance of open-source LLMs on PubMedQA, a benchmark for multiple-choice biomedical questions. We focus on two widely used prompting strategies - standard instruction prompts and Chain-of-Thought (CoT) prompts - and apply QLoRA for parameter-efficient instruction tuning. Across multiple model families and sizes, our experiments show that CoT prompting alone can improve reasoning in zero-shot settings, while instruction tuning significantly boosts accuracy. However, fine-tuning on CoT prompts does not universally enhance performance and may even degrade it for certain larger models. These findings suggest that reasoning-aware prompts are useful, but their benefits are model- and scale-dependent. Our study offers practical insights into combining prompt engineering with efficient finetuning for medical QA applications.

Second-order optimization methods for training neural networks, such as KFAC, exhibit superior convergence by utilizing curvature information of loss landscape. However, it comes at the expense of high computational burden. In this work, we analyze the two components that constitute the layer-wise Fisher information matrix (FIM) used in KFAC: the Kronecker factors related to activations and pre-activation gradients. Based on empirical observations on their eigenspectra, we propose efficient approximations for them, resulting in a computationally efficient optimization method called MAC. To the best of our knowledge, MAC is the first algorithm to apply the Kronecker factorization to the FIM of attention layers used in transformers and explicitly integrate attention scores into the preconditioning. We also study the convergence property of MAC on nonlinear neural networks and provide two conditions under which it converges to global minima. Our extensive evaluations on various network architectures and datasets show that the proposed method outperforms KFAC and other state-of-the-art methods in terms of accuracy, end-to-end training time, and memory usage.

The detection of ligand binding sites for proteins is a fundamental step in Structure-Based Drug Design. Despite notable advances in recent years, existing methods, datasets, and evaluation metrics are confronted with several key challenges: (1) current datasets and methods are centered on individual protein-ligand complexes and neglect that diverse binding sites may exist across multiple complexes of the same protein, introducing significant statistical bias; (2) ligand binding site detection is typically modeled as a discontinuous workflow, employing binary segmentation and subsequent clustering algorithms; (3) traditional evaluation metrics do not adequately reflect the actual performance of different binding site prediction methods. To address these issues, we first introduce UniSite-DS, the first UniProt (Unique Protein)-centric ligand binding site dataset, which contains 4.81 times more multi-site data and 2.08 times more overall data compared to the previously most widely used datasets. We then propose UniSite, the first end-to-end ligand binding site detection framework supervised by set prediction loss with bijective matching. In addition, we introduce Average Precision based on Intersection over Union (IoU) as a more accurate evaluation metric for ligand binding site prediction. Extensive experiments on UniSite-DS and several representative benchmark datasets demonstrate that IoU-based Average Precision provides a more accurate reflection of prediction quality, and that UniSite outperforms current state-of-the-art methods in ligand binding site detection. The dataset and codes will be made publicly available at https://github.com/quanlin-wu/unisite.

Rewards serve as proxies for human preferences and play a crucial role in Reinforcement Learning from Human Feedback (RLHF). However, if these rewards are inherently imperfect, exhibiting various biases, they can adversely affect the alignment of large language models (LLMs). In this paper, we collectively define the various biases present in rewards as the problem of reward unfairness. We propose a bias-agnostic method to address the issue of reward fairness from a resource allocation perspective, without specifically designing for each type of bias, yet effectively mitigating them. Specifically, we model preference learning as a resource allocation problem, treating rewards as resources to be allocated while considering the trade-off between utility and fairness in their distribution. We propose two methods, Fairness Regularization and Fairness Coefficient, to achieve fairness in rewards. We apply our methods in both verification and reinforcement learning scenarios to obtain a fairness reward model and a policy model, respectively. Experiments conducted in these scenarios demonstrate that our approach aligns LLMs with human preferences in a more fair manner.

Despite doubts on data quality, instruction synthesis has been widely applied into instruction tuning (IT) of LLMs as an economic and rapid alternative. Recent endeavors focus on improving data quality for synthesized instruction pairs in English and have facilitated IT of English-centric LLMs. However, data quality issues in multilingual synthesized instruction pairs are even more severe, since the common synthesizing practice is to translate English synthesized data into other languages using machine translation (MT). Besides the known content errors in these English synthesized data, multilingual synthesized instruction data are further exposed to defects introduced by MT and face insufficient localization of the target languages, leading to cultural inequality in trained LLMs. In this paper, we propose MIDB, a Multilingual Instruction Data Booster to automatically address the quality issues in multilingual synthesized data. MIDB is trained on around 36.8k revision examples across 16 languages by human linguistic experts, thereby can boost the low-quality data by addressing content errors and MT defects, and improving localization in these synthesized data. Both automatic and human evaluation indicate that not only MIDB steadily improved instruction data quality in 16 languages, but also the instruction-following and cultural-understanding abilities of multilingual LLMs fine-tuned on MIDB-boosted data were significantly enhanced, suggesting an improved linguistic and cultural equality.

In this paper, we present SOCIA-$\nabla$, an end-to-end, agentic framework that treats simulator construction asinstance optimization over code within a textual computation graph. Specialized LLM-driven agents are embedded as graph nodes, and a workflow manager executes a loss-driven loop: code synthesis -> execution -> evaluation -> code repair. The optimizer performs Textual-Gradient Descent (TGD), while human-in-the-loop interaction is reserved for task-spec confirmation, minimizing expert effort and keeping the code itself as the trainable object. Across three CPS tasks, i.e., User Modeling, Mask Adoption, and Personal Mobility, SOCIA-$\nabla$ attains state-of-the-art overall accuracy. By unifying multi-agent orchestration with a loss-aligned optimization view, SOCIA-$\nabla$ converts brittle prompt pipelines into reproducible, constraint-aware simulator code generation that scales across domains and simulation granularities. We will release the code soon.