Abstract:Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after deployment, limiting their ability to adapt to dynamic and evolving environments. To this end, recent research has explored agent evolution techniques that aim to automatically enhance agent systems based on interaction data and environmental feedback. This emerging direction lays the foundation for self-evolving AI agents, which bridge the static capabilities of foundation models with the continuous adaptability required by lifelong agentic systems. In this survey, we provide a comprehensive review of existing techniques for self-evolving agentic systems. Specifically, we first introduce a unified conceptual framework that abstracts the feedback loop underlying the design of self-evolving agentic systems. The framework highlights four key components: System Inputs, Agent System, Environment, and Optimisers, serving as a foundation for understanding and comparing different strategies. Based on this framework, we systematically review a wide range of self-evolving techniques that target different components of the agent system. We also investigate domain-specific evolution strategies developed for specialised fields such as biomedicine, programming, and finance, where optimisation objectives are tightly coupled with domain constraints. In addition, we provide a dedicated discussion on the evaluation, safety, and ethical considerations for self-evolving agentic systems, which are critical to ensuring their effectiveness and reliability. This survey aims to provide researchers and practitioners with a systematic understanding of self-evolving AI agents, laying the foundation for the development of more adaptive, autonomous, and lifelong agentic systems.
Abstract:Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule design, protein generation, drug discovery, and beyond. At the same time, biological applications have served as valuable testbeds for evaluating the capabilities of generative models. Recently, flow matching has emerged as a powerful and efficient alternative to diffusion-based generative modeling, with growing interest in its application to problems in biology and life sciences. This paper presents the first comprehensive survey of recent developments in flow matching and its applications in biological domains. We begin by systematically reviewing the foundations and variants of flow matching, and then categorize its applications into three major areas: biological sequence modeling, molecule generation and design, and peptide and protein generation. For each, we provide an in-depth review of recent progress. We also summarize commonly used datasets and software tools, and conclude with a discussion of potential future directions. The corresponding curated resources are available at https://github.com/Violet24K/Awesome-Flow-Matching-Meets-Biology.
Abstract:Preference alignment has achieved greater success on Large Language Models (LLMs) and drawn broad interest in recommendation research. Existing preference alignment methods for recommendation either require explicit reward modeling or only support pairwise preference comparison. The former directly increases substantial computational costs, while the latter hinders training efficiency on negative samples. Moreover, no existing effort has explored preference alignment solutions for tail-item recommendation. To bridge the above gaps, we propose LPO4Rec, which extends the Bradley-Terry model from pairwise comparison to listwise comparison, to improve the efficiency of model training. Specifically, we derive a closed form optimal policy to enable more efficient and effective training without explicit reward modeling. We also present an adaptive negative sampling and reweighting strategy to prioritize tail items during optimization and enhance performance in tail-item recommendations. Besides, we theoretically prove that optimizing the listwise preference optimization (LPO) loss is equivalent to maximizing the upper bound of the optimal reward. Our experiments on three public datasets show that our method outperforms 10 baselines by a large margin, achieving up to 50% performance improvement while reducing 17.9% GPU memory usage when compared with direct preference optimization (DPO) in tail-item recommendation. Our code is available at https://github.com/Yuhanleeee/LPO4Rec.
Abstract:Existing recommendation methods often struggle to model users' multifaceted preferences due to the diversity and volatility of user behavior, as well as the inherent uncertainty and ambiguity of item attributes in practical scenarios. Multi-interest recommendation addresses this challenge by extracting multiple interest representations from users' historical interactions, enabling fine-grained preference modeling and more accurate recommendations. It has drawn broad interest in recommendation research. However, current recommendation surveys have either specialized in frontier recommendation methods or delved into specific tasks and downstream applications. In this work, we systematically review the progress, solutions, challenges, and future directions of multi-interest recommendation by answering the following three questions: (1) Why is multi-interest modeling significantly important for recommendation? (2) What aspects are focused on by multi-interest modeling in recommendation? and (3) How can multi-interest modeling be applied, along with the technical details of the representative modules? We hope that this survey establishes a fundamental framework and delivers a preliminary overview for researchers interested in this field and committed to further exploration. The implementation of multi-interest recommendation summarized in this survey is maintained at https://github.com/WHUIR/Multi-Interest-Recommendation-A-Survey.
Abstract:Accurate predictions rely on the expressiveness power of graph deep learning frameworks like graph neural networks and graph transformers, where a positional encoding mechanism has become much more indispensable in recent state-of-the-art works to record the canonical position information. However, the current positional encoding is limited in three aspects: (1) most positional encoding methods use pre-defined, and fixed functions, which are inadequate to adapt to the complex attributed graphs; (2) a few pioneering works proposed the learnable positional encoding but are still limited to the structural information, not considering the real-world time-evolving topological and feature information; (3) most positional encoding methods are equipped with transformers' attention mechanism to fully leverage their capabilities, where the dense or relational attention is often unaffordable on large-scale structured data. Hence, we aim to develop Learnable Spatial-Temporal Positional Encoding in an effective and efficient manner and propose a simple temporal link prediction model named L-STEP. Briefly, for L-STEP, we (1) prove the proposed positional learning scheme can preserve the graph property from the spatial-temporal spectral viewpoint, (2) verify that MLPs can fully exploit the expressiveness and reach transformers' performance on that encoding, (3) change different initial positional encoding inputs to show robustness, (4) analyze the theoretical complexity and obtain less empirical running time than SOTA, and (5) demonstrate its temporal link prediction out-performance on 13 classic datasets and with 10 algorithms in both transductive and inductive settings using 3 different sampling strategies. Also, L-STEP obtains the leading performance in the newest large-scale TGB benchmark. Our code is available at https://github.com/kthrn22/L-STEP.
Abstract:Large language models (LLMs) store vast amounts of information, making them powerful yet raising privacy and safety concerns when selective knowledge removal is required. Existing unlearning strategies, ranging from gradient-based fine-tuning and model editing to sparse autoencoder (SAE) steering, either lack interpretability or fail to provide a robust defense against adversarial prompts. We propose SAE-Guided Subspace Projection Unlearning (SSPU), a novel framework that leverages SAE features to drive targeted updates in the model's parameter space, enabling precise, interpretable, and robust unlearning. SSPU's three-stage pipeline performs data-driven layer and feature selection, subspace construction via QR decomposition, and constrained optimization that controls activations into an "irrelevant" subspace while preserving retained knowledge. Overall, we use SAE features to construct a subspace that supervises unlearning, refining the loss and adding a regularization term to guide interpretable parameter updates. In experiments on the WMDP-Cyber forget set and three utility benchmarks (MMLU, TruthfulQA, GSM8K), SSPU reduces harmful knowledge accuracy by 3.22% compared to the strongest baseline. It also improves adversarial robustness, lowering malicious accuracy under jailbreak prompts compared to baselines. Our findings expose the limitations of prior unlearning methods and demonstrate how interpretable subspace-guided optimization can achieve robust, controllable model behavior.
Abstract:Traffic safety science has long been hindered by a fundamental data paradox: the crashes we most wish to prevent are precisely those events we rarely observe. Existing crash-frequency models and surrogate safety metrics rely heavily on sparse, noisy, and under-reported records, while even sophisticated, high-fidelity simulations undersample the long-tailed situations that trigger catastrophic outcomes such as fatalities. We argue that the path to achieving Vision Zero, i.e., the complete elimination of traffic fatalities and severe injuries, requires a paradigm shift from traditional crash-only learning to a new form of counterfactual safety learning: reasoning not only about what happened, but also about the vast set of plausible yet perilous scenarios that could have happened under slightly different circumstances. To operationalize this shift, our proposed agenda bridges macro to micro. Guided by crash-rate priors, generative scene engines, diverse driver models, and causal learning, near-miss events are synthesized and explained. A crash-focused digital twin testbed links micro scenes to macro patterns, while a multi-objective validator ensures that simulations maintain statistical realism. This pipeline transforms sparse crash data into rich signals for crash prediction, enabling the stress-testing of vehicles, roads, and policies before deployment. By learning from crashes that almost happened, we can shift traffic safety from reactive forensics to proactive prevention, advancing Vision Zero.
Abstract:Class-imbalanced learning (CIL) on tabular data is important in many real-world applications where the minority class holds the critical but rare outcomes. In this paper, we present CLIMB, a comprehensive benchmark for class-imbalanced learning on tabular data. CLIMB includes 73 real-world datasets across diverse domains and imbalance levels, along with unified implementations of 29 representative CIL algorithms. Built on a high-quality open-source Python package with unified API designs, detailed documentation, and rigorous code quality controls, CLIMB supports easy implementation and comparison between different CIL algorithms. Through extensive experiments, we provide practical insights on method accuracy and efficiency, highlighting the limitations of naive rebalancing, the effectiveness of ensembles, and the importance of data quality. Our code, documentation, and examples are available at https://github.com/ZhiningLiu1998/imbalanced-ensemble.
Abstract:Large language models are typically adapted to downstream tasks through supervised fine-tuning on domain-specific data. While standard fine-tuning focuses on minimizing generation loss to optimize model parameters, we take a deeper step by retaining and leveraging the model's own learning signals, analogous to how human learners reflect on past mistakes to improve future performance. We first introduce the concept of Mistake Log to systematically track the model's learning behavior and recurring errors throughout fine-tuning. Treating the original transformer-based model as the Pilot, we correspondingly design a Copilot model to refine the Pilot's inference performance via logits rectification. We name the overall Pilot-Copilot framework the Transformer Copilot, which introduces (i) a novel Copilot model design, (ii) a joint training paradigm where the Copilot continuously learns from the evolving Mistake Log alongside the Pilot, and (iii) a fused inference paradigm where the Copilot rectifies the Pilot's logits for enhanced generation. We provide both theoretical and empirical analyses on our new learning framework. Experiments on 12 benchmarks spanning commonsense, arithmetic, and recommendation tasks demonstrate that Transformer Copilot consistently improves performance by up to 34.5%, while introducing marginal computational overhead to Pilot models and exhibiting strong scalability and transferability.
Abstract:Large Language Models (LLMs) demonstrate the ability to solve reasoning and mathematical problems using the Chain-of-Thought (CoT) technique. Expanding CoT length, as seen in models such as DeepSeek-R1, significantly enhances this reasoning for complex problems, but requires costly and high-quality long CoT data and fine-tuning. This work, inspired by the deep thinking paradigm of DeepSeek-R1, utilizes a steering technique to enhance the reasoning ability of an LLM without external datasets. Our method first employs Sparse Autoencoders (SAEs) to extract interpretable features from vanilla CoT. These features are then used to steer the LLM's internal states during generation. Recognizing that many LLMs do not have corresponding pre-trained SAEs, we further introduce a novel SAE-free steering algorithm, which directly computes steering directions from the residual activations of an LLM, obviating the need for an explicit SAE. Experimental results demonstrate that both our SAE-based and subsequent SAE-free steering algorithms significantly enhance the reasoning capabilities of LLMs.