Air pollution has become a significant health risk in developing countries. While governments routinely publish air-quality index (AQI) data to track pollution, these values fail to capture the local reality, as sensors are often very sparse. In this paper, we address this gap by predicting AQI in 1 km^2 neighborhoods, using the example of AirDelhi dataset. Using Spatio-temporal GNNs we surpass existing works by 71.654 MSE a 79% reduction, even on unseen coordinates. New insights about AQI such as the existence of strong repetitive short-term patterns and changing spatial relations are also discovered. The code is available on GitHub.
Learned optimizers have been an active research topic over the past decade, with increasing progress toward practical, general-purpose optimizers that can serve as drop-in replacements for widely used methods like Adam. However, recent advances -- such as VeLO, which was meta-trained for 4000 TPU-months -- remain largely inaccessible to the broader community, in part due to their reliance on JAX and the absence of user-friendly packages for applying the optimizers after meta-training. To address this gap, we introduce PyLO, a PyTorch-based library that brings learned optimizers to the broader machine learning community through familiar, widely adopted workflows. Unlike prior work focused on synthetic or convex tasks, our emphasis is on applying learned optimization to real-world large-scale pre-training tasks. Our release includes a CUDA-accelerated version of the small_fc_lopt learned optimizer architecture from (Metz et al., 2022a), delivering substantial speedups -- from 39.36 to 205.59 samples/sec throughput for training ViT B/16 with batch size 32. PyLO also allows us to easily combine learned optimizers with existing optimization tools such as learning rate schedules and weight decay. When doing so, we find that learned optimizers can substantially benefit. Our code is available at https://github.com/Belilovsky-Lab/pylo
Malicious sockpuppet detection on Wikipedia is critical to preserving access to reliable information on the internet and preventing the spread of disinformation. Prior machine learning approaches rely on stylistic and meta-data features, but do not prioritise adaptability to author-specific behaviours. As a result, they struggle to effectively model the behaviour of specific sockpuppet-groups, especially when text data is limited. To address this, we propose the application of meta-learning, a machine learning technique designed to improve performance in data-scarce settings by training models across multiple tasks. Meta-learning optimises a model for rapid adaptation to the writing style of a new sockpuppet-group. Our results show that meta-learning significantly enhances the precision of predictions compared to pre-trained models, marking an advancement in combating sockpuppetry on open editing platforms. We release a new dataset of sockpuppet investigations to foster future research in both sockpuppetry and meta-learning fields.
Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant architectures limit the scalability and efficiency of diffusion models. In this paper, we propose an approach that relaxes such equivariance constraints. Specifically, our approach learns a sample-dependent SO(3) transformation for each molecule to construct an aligned latent space. A non-equivariant diffusion model is then trained over the aligned representations. Experimental results demonstrate that our approach performs significantly better than previously reported non-equivariant models. It yields sample quality comparable to state-of-the-art equivariant diffusion models and offers improved training and sampling efficiency. Our code is available at https://github.com/skeletondyh/RADM
Survival analysis is a fundamental tool for modeling time-to-event data in healthcare, engineering, and finance, where censored observations pose significant challenges. While traditional methods like the Beran estimator offer nonparametric solutions, they often struggle with the complex data structures and heavy censoring. This paper introduces three novel survival models, iSurvM (the imprecise Survival model based on Mean likelihood functions), iSurvQ (the imprecise Survival model based on the Quantiles of likelihood functions), and iSurvJ (the imprecise Survival model based on the Joint learning), that combine imprecise probability theory with attention mechanisms to handle censored data without parametric assumptions. The first idea behind the models is to represent censored observations by interval-valued probability distributions for each instance over time intervals between events moments. The second idea is to employ the kernel-based Nadaraya-Watson regression with trainable attention weights for computing the imprecise probability distribution over time intervals for the entire dataset. The third idea is to consider three decision strategies for training, which correspond to the proposed three models. Experiments on synthetic and real datasets demonstrate that the proposed models, especially iSurvJ, consistently outperform the Beran estimator from the accuracy and computational complexity points of view. Codes implementing the proposed models are publicly available.
We present a novel federated multi-task learning method that leverages cross-client similarity to enable personalized learning for each client. To avoid transmitting the entire model to the parameter server, we propose a communication-efficient scheme that introduces a feature anchor, a compact vector representation that summarizes the features learned from the client's local classes. This feature anchor is shared with the server to account for local clients' distribution. In addition, the clients share the classification heads, a lightweight linear layer, and perform a graph-based regularization to enable collaboration among clients. By modeling collaboration between clients as a dynamic graph and continuously updating and refining this graph, we can account for any drift from the clients. To ensure beneficial knowledge transfer and prevent negative collaboration, we leverage a community detection-based approach that partitions this dynamic graph into homogeneous communities, maximizing the sum of task similarities, represented as the graph edges' weights, within each community. This mechanism restricts collaboration to highly similar clients within their formed communities, ensuring positive interaction and preserving personalization. Extensive experiments on two heterogeneous datasets demonstrate that our method significantly outperforms state-of-the-art baselines. Furthermore, we show that our method exhibits superior computation and communication efficiency and promotes fairness across clients.
Large Language Models (LLMs) memorize, and thus, among huge amounts of uncontrolled data, may memorize Personally Identifiable Information (PII), which should not be stored and, consequently, not leaked. In this paper, we introduce Private Memorization Editing (PME), an approach for preventing private data leakage that turns an apparent limitation, that is, the LLMs' memorization ability, into a powerful privacy defense strategy. While attacks against LLMs have been performed exploiting previous knowledge regarding their training data, our approach aims to exploit the same kind of knowledge in order to make a model more robust. We detect a memorized PII and then mitigate the memorization of PII by editing a model knowledge of its training data. We verify that our procedure does not affect the underlying language model while making it more robust against privacy Training Data Extraction attacks. We demonstrate that PME can effectively reduce the number of leaked PII in a number of configurations, in some cases even reducing the accuracy of the privacy attacks to zero.
Retrieval-augmented generation (RAG) systems have been shown to be effective in addressing many of the drawbacks of relying solely on the parametric memory of large language models. Recent work has demonstrated that RAG systems can be improved via fine-tuning of their retriever and generator models. In this work, we introduce FedRAG, a framework for fine-tuning RAG systems across centralized and federated architectures. FedRAG supports state-of-the-art fine-tuning methods, offering a simple and intuitive interface and a seamless conversion from centralized to federated training tasks. FedRAG is also deeply integrated with the modern RAG ecosystem, filling a critical gap in available tools.
Fairness in multi-document summarization (MDS) is crucial for providing comprehensive views across documents with diverse social attribute values, which can significantly impact decision-making. For example, a summarization system that tends to overrepresent negative reviews of products can mislead customers into disregarding good products. Previous works measure fairness in MDS at two levels: summary-level and corpus-level. While summary-level fairness focuses on individual summaries, corpus-level fairness focuses on a corpus of summaries. Recent methods primarily focus on summary-level fairness. We propose FairPO, a preference tuning method that focuses on both summary-level and corpus-level fairness in MDS. To improve summary-level fairness, we propose to generate preference pairs by perturbing document sets. To improve corpus-level fairness, we propose fairness-aware preference tuning by dynamically adjusting the weights of preference pairs. Our experiments show that FairPO outperforms strong baselines while maintaining the critical qualities of summaries. The code is available at https://github.com/leehaoyuan/coverage_fairnes.
Large Language Models (LLMs) have achieved remarkable success in tasks requiring complex reasoning, such as code generation, mathematical problem solving, and algorithmic synthesis -- especially when aided by reasoning tokens and Chain-of-Thought prompting. Yet, a core question remains: do these models truly reason, or do they merely exploit shallow statistical patterns? In this paper, we introduce Chain-of-Code Collapse, where we systematically investigate the robustness of reasoning LLMs by introducing a suite of semantically faithful yet adversarially structured prompt perturbations. Our evaluation -- spanning 700 perturbed code generations derived from LeetCode-style problems -- applies transformations such as storytelling reframing, irrelevant constraint injection, example reordering, and numeric perturbation. We observe that while certain modifications severely degrade performance (with accuracy drops up to -42.1%), others surprisingly improve model accuracy by up to 35.3%, suggesting sensitivity not only to semantics but also to surface-level prompt dynamics. These findings expose the fragility and unpredictability of current reasoning systems, underscoring the need for more principles approaches to reasoning alignments and prompting robustness. We release our perturbation datasets and evaluation framework to promote further research in trustworthy and resilient LLM reasoning.
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data are available at https://github.com/yuleiqin/RAIF.
Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.
Large language models (LLMs) have been increasingly applied to automated harmful content detection tasks, assisting moderators in identifying policy violations and improving the overall efficiency and accuracy of content review. However, existing resources for harmful content detection are predominantly focused on English, with Chinese datasets remaining scarce and often limited in scope. We present a comprehensive, professionally annotated benchmark for Chinese content harm detection, which covers six representative categories and is constructed entirely from real-world data. Our annotation process further yields a knowledge rule base that provides explicit expert knowledge to assist LLMs in Chinese harmful content detection. In addition, we propose a knowledge-augmented baseline that integrates both human-annotated knowledge rules and implicit knowledge from large language models, enabling smaller models to achieve performance comparable to state-of-the-art LLMs. Code and data are available at https://github.com/zjunlp/ChineseHarm-bench.
A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.
Encoder-based transformer models are central to biomedical and clinical Natural Language Processing (NLP), as their bidirectional self-attention makes them well-suited for efficiently extracting structured information from unstructured text through discriminative tasks. However, encoders have seen slower development compared to decoder models, leading to limited domain adaptation in biomedical and clinical settings. We introduce BioClinical ModernBERT, a domain-adapted encoder that builds on the recent ModernBERT release, incorporating long-context processing and substantial improvements in speed and performance for biomedical and clinical NLP. BioClinical ModernBERT is developed through continued pretraining on the largest biomedical and clinical corpus to date, with over 53.5 billion tokens, and addresses a key limitation of prior clinical encoders by leveraging 20 datasets from diverse institutions, domains, and geographic regions, rather than relying on data from a single source. It outperforms existing biomedical and clinical encoders on four downstream tasks spanning a broad range of use cases. We release both base (150M parameters) and large (396M parameters) versions of BioClinical ModernBERT, along with training checkpoints to support further research.
Medical dialogue systems (MDS) have emerged as crucial online platforms for enabling multi-turn, context-aware conversations with patients. However, existing MDS often struggle to (1) identify relevant medical knowledge and (2) generate personalized, medically accurate responses. To address these challenges, we propose MedRef, a novel MDS that incorporates knowledge refining and dynamic prompt adjustment. First, we employ a knowledge refining mechanism to filter out irrelevant medical data, improving predictions of critical medical entities in responses. Additionally, we design a comprehensive prompt structure that incorporates historical details and evident details. To enable real-time adaptability to diverse patient conditions, we implement two key modules, Triplet Filter and Demo Selector, providing appropriate knowledge and demonstrations equipped in the system prompt. Extensive experiments on MedDG and KaMed benchmarks show that MedRef outperforms state-of-the-art baselines in both generation quality and medical entity accuracy, underscoring its effectiveness and reliability for real-world healthcare applications.
Diffusion-based language models (dLLMs) have emerged as a promising alternative to traditional autoregressive LLMs by enabling parallel token generation and significantly reducing inference latency. However, existing sampling strategies for dLLMs, such as confidence-based or semi-autoregressive decoding, often suffer from static behavior, leading to suboptimal efficiency and limited flexibility. In this paper, we propose SlowFast Sampling, a novel dynamic sampling strategy that adaptively alternates between exploratory and accelerated decoding stages. Our method is guided by three golden principles: certainty principle, convergence principle, and positional principle, which govern when and where tokens can be confidently and efficiently decoded. We further integrate our strategy with dLLM-Cache to reduce redundant computation. Extensive experiments across benchmarks and models show that SlowFast Sampling achieves up to 15.63$\times$ speedup on LLaDA with minimal accuracy drop, and up to 34.22$\times$ when combined with caching. Notably, our approach outperforms strong autoregressive baselines like LLaMA3 8B in throughput, demonstrating that well-designed sampling can unlock the full potential of dLLMs for fast and high-quality generation.
This paper presents mRAG, a multi-agent retrieval-augmented generation (RAG) framework composed of specialized agents for subtasks such as planning, searching, reasoning, and coordination. Our system uses a self-training paradigm with reward-guided trajectory sampling to optimize inter-agent collaboration and enhance response generation. Evaluated on DataMorgana-derived datasets during the SIGIR 2025 LiveRAG competition, mRAG outperforms conventional RAG baselines. We further analyze competition outcomes and showcase the framework's strengths with case studies, demonstrating its efficacy for complex, real-world RAG tasks.
Recent advances in Chain-of-Thought (CoT) prompting have substantially improved the reasoning capabilities of Large Language Models (LLMs). However, these methods often suffer from overthinking, leading to unnecessarily lengthy or redundant reasoning traces. Existing approaches attempt to mitigate this issue through curating multiple reasoning chains for training LLMs, but their effectiveness is often constrained by the quality of the generated data and prone to overfitting. To address the challenge, we propose Reasoning Compression ThroUgh Stepwise Trials (ReCUT), a novel method aimed at balancing the accuracy and length of reasoning trajectory. Specifically, ReCUT employs a stepwise exploration mechanism and a long-short switched sampling strategy, enabling LLMs to incrementally generate diverse reasoning paths. These paths are evaluated and used to construct preference pairs to train two specialized models (Gemini LLMs)-one optimized for reasoning accuracy, the other for shorter reasoning. A final integrated model is obtained by interpolating the parameters of these two models. Experimental results across multiple math reasoning datasets and backbone models demonstrate that ReCUT significantly reduces reasoning lengths by approximately 30-50%, while maintaining or improving reasoning accuracy compared to various baselines. All codes and data will be released via https://github.com/NEUIR/ReCUT.
The rapid evolution of scientific fields introduces challenges in organizing and retrieving scientific literature. While expert-curated taxonomies have traditionally addressed this need, the process is time-consuming and expensive. Furthermore, recent automatic taxonomy construction methods either (1) over-rely on a specific corpus, sacrificing generalizability, or (2) depend heavily on the general knowledge of large language models (LLMs) contained within their pre-training datasets, often overlooking the dynamic nature of evolving scientific domains. Additionally, these approaches fail to account for the multi-faceted nature of scientific literature, where a single research paper may contribute to multiple dimensions (e.g., methodology, new tasks, evaluation metrics, benchmarks). To address these gaps, we propose TaxoAdapt, a framework that dynamically adapts an LLM-generated taxonomy to a given corpus across multiple dimensions. TaxoAdapt performs iterative hierarchical classification, expanding both the taxonomy width and depth based on corpus' topical distribution. We demonstrate its state-of-the-art performance across a diverse set of computer science conferences over the years to showcase its ability to structure and capture the evolution of scientific fields. As a multidimensional method, TaxoAdapt generates taxonomies that are 26.51% more granularity-preserving and 50.41% more coherent than the most competitive baselines judged by LLMs.