Bowen Jin

Bowen Jin, Hansi Zeng, Guoyin Wang et al.

Semantic identifier (ID) is an important concept in information retrieval that aims to preserve the semantics of objects such as documents and items inside their IDs. Previous studies typically adopt a two-stage pipeline to learn semantic IDs by first procuring embeddings using off-the-shelf text encoders and then deriving IDs based on the embeddings. However, each step introduces potential information loss, and there is usually an inherent mismatch between the distribution of embeddings within the latent space produced by text encoders and the anticipated distribution required for semantic indexing. It is non-trivial to design a method that can learn the document's semantic representations and its hierarchical structure simultaneously, given that semantic IDs are discrete and sequentially structured, and the semantic supervision is deficient. In this paper, we introduce LMIndexer, a self-supervised framework to learn semantic IDs with a generative language model. We tackle the challenge of sequential discrete ID by introducing a semantic indexer capable of generating neural sequential discrete representations with progressive training and contrastive learning. In response to the semantic supervision deficiency, we propose to train the model with a self-supervised document reconstruction objective. We show the high quality of the learned IDs and demonstrate their effectiveness on three tasks including recommendation, product search, and document retrieval on five datasets from various domains. Code is available at https://github.com/PeterGriffinJin/LMIndexer.

Bowen Jin, Wentao Zhang, Yu Zhang et al.

In real-world scenarios, texts in a graph are often linked by multiple semantic relations (e.g., papers in an academic graph are referenced by other publications, written by the same author, or published in the same venue), where text documents and their relations form a multiplex text-attributed graph. Mainstream text representation learning methods use pretrained language models (PLMs) to generate one embedding for each text unit, expecting that all types of relations between texts can be captured by these single-view embeddings. However, this presumption does not hold particularly in multiplex text-attributed graphs. Along another line of work, multiplex graph neural networks (GNNs) directly initialize node attributes as a feature vector for node representation learning, but they cannot fully capture the semantics of the nodes' associated texts. To bridge these gaps, we propose METAG, a new framework for learning Multiplex rEpresentations on Text-Attributed Graphs. In contrast to existing methods, METAG uses one text encoder to model the shared knowledge across relations and leverages a small number of parameters per relation to derive relation-specific representations. This allows the encoder to effectively capture the multiplex structures in the graph while also preserving parameter efficiency. We conduct experiments on nine downstream tasks in five graphs from both academic and e-commerce domains, where METAG outperforms baselines significantly and consistently. The code is available at https://github.com/PeterGriffinJin/METAG.

Yu Zhang, Bowen Jin, Xiusi Chen et al. · amazon-science

Instead of relying on human-annotated training samples to build a classifier, weakly supervised scientific paper classification aims to classify papers only using category descriptions (e.g., category names, category-indicative keywords). Existing studies on weakly supervised paper classification are less concerned with two challenges: (1) Papers should be classified into not only coarse-grained research topics but also fine-grained themes, and potentially into multiple themes, given a large and fine-grained label space; and (2) full text should be utilized to complement the paper title and abstract for classification. Moreover, instead of viewing the entire paper as a long linear sequence, one should exploit the structural information such as citation links across papers and the hierarchy of sections and paragraphs in each paper. To tackle these challenges, in this study, we propose FUTEX, a framework that uses the cross-paper network structure and the in-paper hierarchy structure to classify full-text scientific papers under weak supervision. A network-aware contrastive fine-tuning module and a hierarchy-aware aggregation module are designed to leverage the two types of structural signals, respectively. Experiments on two benchmark datasets demonstrate that FUTEX significantly outperforms competitive baselines and is on par with fully supervised classifiers that use 1,000 to 60,000 ground-truth training samples.

Jimeng Shi, Bowen Jin, Jiawei Han et al.

Accurate weather forecasting is critical for science and society. Yet, existing methods have not managed to simultaneously have the properties of high accuracy, low uncertainty, and high computational efficiency. On one hand, to quantify the uncertainty in weather predictions, the strategy of ensemble forecast (i.e., generating a set of diverse predictions) is often employed. However, traditional ensemble numerical weather prediction (NWP) is computationally intensive. On the other hand, most existing machine learning-based weather prediction (MLWP) approaches are efficient and accurate. Nevertheless, they are deterministic and cannot capture the uncertainty of weather forecasting. In this work, we propose CoDiCast, a conditional diffusion model to generate accurate global weather prediction, while achieving uncertainty quantification with ensemble forecasts and modest computational cost. The key idea is to simulate a conditional version of the reverse denoising process in diffusion models, which starts from pure Gaussian noise to generate realistic weather scenarios for a future time point. Each denoising step is conditioned on observations from the recent past. Ensemble forecasts are achieved by repeatedly sampling from stochastic Gaussian noise to represent uncertainty quantification. CoDiCast is trained on a decade of ERA5 reanalysis data from the European Centre for Medium-Range Weather Forecasts (ECMWF). Experimental results demonstrate that our approach outperforms several existing data-driven methods in accuracy. Our conditional diffusion model, CoDiCast, can generate 6-day global weather forecasts, at 6-hour steps and $5.625^\circ$ latitude-longitude resolution, for over 5 variables, in about 12 minutes on a commodity A100 GPU machine with 80GB memory. The open-souced code is provided at https://github.com/JimengShi/CoDiCast.

Bowen Jin, Yu Zhang, Yu Meng et al.

Edges in many real-world social/information networks are associated with rich text information (e.g., user-user communications or user-product reviews). However, mainstream network representation learning models focus on propagating and aggregating node attributes, lacking specific designs to utilize text semantics on edges. While there exist edge-aware graph neural networks, they directly initialize edge attributes as a feature vector, which cannot fully capture the contextualized text semantics of edges. In this paper, we propose Edgeformers, a framework built upon graph-enhanced Transformers, to perform edge and node representation learning by modeling texts on edges in a contextualized way. Specifically, in edge representation learning, we inject network information into each Transformer layer when encoding edge texts; in node representation learning, we aggregate edge representations through an attention mechanism within each node's ego-graph. On five public datasets from three different domains, Edgeformers consistently outperform state-of-the-art baselines in edge classification and link prediction, demonstrating the efficacy in learning edge and node representations, respectively.

Bowen Jin, Yu Zhang, Qi Zhu et al.

Representation learning on networks aims to derive a meaningful vector representation for each node, thereby facilitating downstream tasks such as link prediction, node classification, and node clustering. In heterogeneous text-rich networks, this task is more challenging due to (1) presence or absence of text: Some nodes are associated with rich textual information, while others are not; (2) diversity of types: Nodes and edges of multiple types form a heterogeneous network structure. As pretrained language models (PLMs) have demonstrated their effectiveness in obtaining widely generalizable text representations, a substantial amount of effort has been made to incorporate PLMs into representation learning on text-rich networks. However, few of them can jointly consider heterogeneous structure (network) information as well as rich textual semantic information of each node effectively. In this paper, we propose Heterformer, a Heterogeneous Network-Empowered Transformer that performs contextualized text encoding and heterogeneous structure encoding in a unified model. Specifically, we inject heterogeneous structure information into each Transformer layer when encoding node texts. Meanwhile, Heterformer is capable of characterizing node/edge type heterogeneity and encoding nodes with or without texts. We conduct comprehensive experiments on three tasks (i.e., link prediction, node classification, and node clustering) on three large-scale datasets from different domains, where Heterformer outperforms competitive baselines significantly and consistently.

Yu Zhang, Bowen Jin, Qi Zhu et al.

Due to the exponential growth of scientific publications on the Web, there is a pressing need to tag each paper with fine-grained topics so that researchers can track their interested fields of study rather than drowning in the whole literature. Scientific literature tagging is beyond a pure multi-label text classification task because papers on the Web are prevalently accompanied by metadata information such as venues, authors, and references, which may serve as additional signals to infer relevant tags. Although there have been studies making use of metadata in academic paper classification, their focus is often restricted to one or two scientific fields (e.g., computer science and biomedicine) and to one specific model. In this work, we systematically study the effect of metadata on scientific literature tagging across 19 fields. We select three representative multi-label classifiers (i.e., a bag-of-words model, a sequence-based model, and a pre-trained language model) and explore their performance change in scientific literature tagging when metadata are fed to the classifiers as additional features. We observe some ubiquitous patterns of metadata's effects across all fields (e.g., venues are consistently beneficial to paper tagging in almost all cases), as well as some unique patterns in fields other than computer science and biomedicine, which are not explored in previous studies.

Bowen Jin, Hansi Zeng, Zhenrui Yue et al.

Efficiently acquiring external knowledge and up-to-date information is essential for effective reasoning and text generation in large language models (LLMs). Prompting advanced LLMs with reasoning capabilities to use search engines during inference is often suboptimal, as the LLM might not fully possess the capability on how to interact optimally with the search engine. This paper introduces Search-R1, an extension of reinforcement learning (RL) for reasoning frameworks where the LLM learns to autonomously generate (multiple) search queries during step-by-step reasoning with real-time retrieval. Search-R1 optimizes LLM reasoning trajectories with multi-turn search interactions, leveraging retrieved token masking for stable RL training and a simple outcome-based reward function. Experiments on seven question-answering datasets show that Search-R1 improves performance by 41% (Qwen2.5-7B) and 20% (Qwen2.5-3B) over various RAG baselines under the same setting. This paper further provides empirical insights into RL optimization methods, LLM choices, and response length dynamics in retrieval-augmented reasoning. The code and model checkpoints are available at https://github.com/PeterGriffinJin/Search-R1.

Bowen Jin, Gang Liu, Chi Han et al.

Large language models (LLMs), such as GPT4 and LLaMA, are creating significant advancements in natural language processing, due to their strong text encoding/decoding ability and newly found emergent capability (e.g., reasoning). While LLMs are mainly designed to process pure texts, there are many real-world scenarios where text data is associated with rich structure information in the form of graphs (e.g., academic networks, and e-commerce networks) or scenarios where graph data is paired with rich textual information (e.g., molecules with descriptions). Besides, although LLMs have shown their pure text-based reasoning ability, it is underexplored whether such ability can be generalized to graphs (i.e., graph-based reasoning). In this paper, we provide a systematic review of scenarios and techniques related to large language models on graphs. We first summarize potential scenarios of adopting LLMs on graphs into three categories, namely pure graphs, text-attributed graphs, and text-paired graphs. We then discuss detailed techniques for utilizing LLMs on graphs, including LLM as Predictor, LLM as Encoder, and LLM as Aligner, and compare the advantages and disadvantages of different schools of models. Furthermore, we discuss the real-world applications of such methods and summarize open-source codes and benchmark datasets. Finally, we conclude with potential future research directions in this fast-growing field. The related source can be found at https://github.com/PeterGriffinJin/Awesome-Language-Model-on-Graphs.

Yu Zhang, Yanzhen Shen, SeongKu Kang et al.

With the rapid increase in paper submissions to academic conferences, the need for automated and accurate paper-reviewer matching is more critical than ever. Previous efforts in this area have considered various factors to assess the relevance of a reviewer's expertise to a paper, such as the semantic similarity, shared topics, and citation connections between the paper and the reviewer's previous works. However, most of these studies focus on only one factor, resulting in an incomplete evaluation of the paper-reviewer relevance. To address this issue, we propose a unified model for paper-reviewer matching that jointly considers semantic, topic, and citation factors. To be specific, during training, we instruction-tune a contextualized language model shared across all factors to capture their commonalities and characteristics; during inference, we chain the three factors to enable step-by-step, coarse-to-fine search for qualified reviewers given a submission. Experiments on four datasets (one of which is newly contributed by us) spanning various fields such as machine learning, computer vision, information retrieval, and data mining consistently demonstrate the effectiveness of our proposed Chain-of-Factors model in comparison with state-of-the-art paper-reviewer matching methods and scientific pre-trained language models.

Kerui Zhu, Bo-Wei Huang, Bowen Jin et al.

Inspired by the recent advancements of Large Language Models (LLMs) in NLP tasks, there's growing interest in applying LLMs to graph-related tasks. This study delves into the capabilities of instruction-following LLMs for engaging with real-world graphs, aiming to offer empirical insights into how LLMs can effectively interact with graphs and generalize across graph tasks. We begin by constructing a dataset designed for instruction tuning, which comprises a diverse collection of 79 graph-related tasks from academic and e-commerce domains, featuring 44,240 training instances and 18,960 test samples. Utilizing this benchmark, our initial investigation focuses on identifying the optimal graph representation that serves as a conduit for LLMs to understand complex graph structures. Our findings indicate that JSON format for graph representation consistently outperforms natural language and code formats across various LLMs and graph types. Furthermore, we examine the key factors that influence the generalization abilities of instruction-tuned LLMs by evaluating their performance on both in-domain and out-of-domain graph tasks.

Bowen Jin, Chulin Xie, Jiawei Zhang et al.

Large language models (LLMs), while exhibiting exceptional performance, suffer from hallucinations, especially on knowledge-intensive tasks. Existing works propose to augment LLMs with individual text units retrieved from external knowledge corpora to alleviate the issue. However, in many domains, texts are interconnected (e.g., academic papers in a bibliographic graph are linked by citations and co-authorships) which form a (text-attributed) graph. The knowledge in such graphs is encoded not only in single texts/nodes but also in their associated connections. To facilitate the research of augmenting LLMs with graphs, we manually construct a Graph Reasoning Benchmark dataset called GRBench, containing 1,740 questions that can be answered with the knowledge from 10 domain graphs. Then, we propose a simple and effective framework called Graph Chain-of-thought (Graph-CoT) to augment LLMs with graphs by encouraging LLMs to reason on the graph iteratively. Each Graph-CoT iteration consists of three sub-steps: LLM reasoning, LLM-graph interaction, and graph execution. We conduct systematic experiments with three LLM backbones on GRBench, where Graph-CoT outperforms the baselines consistently. The code is available at https://github.com/PeterGriffinJin/Graph-CoT.

Xiusi Chen, Gaotang Li, Ziqi Wang et al.

Reward modeling is essential for aligning large language models with human preferences through reinforcement learning from human feedback. To provide accurate reward signals, a reward model (RM) should stimulate deep thinking and conduct interpretable reasoning before assigning a score or a judgment. Inspired by recent advances of long chain-of-thought on reasoning-intensive tasks, we hypothesize and validate that integrating reasoning capabilities into reward modeling significantly enhances RMs interpretability and performance. To this end, we introduce a new class of generative reward models - Reasoning Reward Models (ReasRMs) - which formulate reward modeling as a reasoning task. We propose a reasoning-oriented training pipeline and train a family of ReasRMs, RM-R1. RM-R1 features a chain-of-rubrics (CoR) mechanism - self-generating sample-level chat rubrics or math/code solutions, and evaluating candidate responses against them. The training of RM-R1 consists of two key stages: (1) distillation of high-quality reasoning chains and (2) reinforcement learning with verifiable rewards. Empirically, our models achieve state-of-the-art performance across three reward model benchmarks on average, outperforming much larger open-weight models (e.g., INF-ORM-Llama3.1-70B) and proprietary ones (e.g., GPT-4o) by up to 4.9%. Beyond final performance, we perform thorough empirical analyses to understand the key ingredients of successful ReasRM training. To facilitate future research, we release six REASRM models along with code and data at https://github.com/RM-R1-UIUC/RM-R1.

Bowen Jin, Jinsung Yoon, Priyanka Kargupta et al.

Reinforcement learning (RL) has demonstrated strong potential in training large language models (LLMs) capable of complex reasoning for real-world problem solving. More recently, RL has been leveraged to create sophisticated LLM-based search agents that adeptly combine reasoning with search engine use. While the use of RL for training search agents is promising, the optimal design of such agents remains not fully understood. In particular, key factors -- such as (1) reward formulation, (2) the choice and characteristics of the underlying LLM, and (3) the role of the search engine in the RL process -- require further investigation. In this work, we conduct comprehensive empirical studies to systematically investigate these and offer actionable insights. We highlight several key findings: format rewards are effective in improving final performance, whereas intermediate retrieval rewards have limited impact; the scale and initialization of the LLM (general-purpose vs. reasoning-specialized) significantly influence RL outcomes; and the choice of search engine plays a critical role in shaping RL training dynamics and the robustness of the trained agent during inference. These establish important guidelines for successfully building and deploying LLM-based search agents in real-world applications. Code is available at https://github.com/PeterGriffinJin/Search-R1.

Ran Xu, Wenqi Shi, Yue Yu et al. · gatech

We present RAM-EHR, a Retrieval AugMentation pipeline to improve clinical predictions on Electronic Health Records (EHRs). RAM-EHR first collects multiple knowledge sources, converts them into text format, and uses dense retrieval to obtain information related to medical concepts. This strategy addresses the difficulties associated with complex names for the concepts. RAM-EHR then augments the local EHR predictive model co-trained with consistency regularization to capture complementary information from patient visits and summarized knowledge. Experiments on two EHR datasets show the efficacy of RAM-EHR over previous knowledge-enhanced baselines (3.4% gain in AUROC and 7.2% gain in AUPR), emphasizing the effectiveness of the summarized knowledge from RAM-EHR for clinical prediction tasks. The code will be published at \url{https://github.com/ritaranx/RAM-EHR}.

Jeyun Lee, Junhyoung Lee, Wonbin Kweon et al.

Adapting general-domain retrievers to scientific domains is challenging due to the scarcity of large-scale domain-specific relevance annotations and the substantial mismatch in vocabulary and information needs. Recent approaches address these issues through two independent directions that leverage large language models (LLMs): (1) generating synthetic queries for fine-tuning, and (2) generating auxiliary contexts to support relevance matching. However, both directions overlook the diverse academic concepts embedded within scientific documents, often producing redundant or conceptually narrow queries and contexts. To address this limitation, we introduce an academic concept index, which extracts key concepts from papers and organizes them guided by an academic taxonomy. This structured index serves as a foundation for improving both directions. First, we enhance the synthetic query generation with concept coverage-based generation (CCQGen), which adaptively conditions LLMs on uncovered concepts to generate complementary queries with broader concept coverage. Second, we strengthen the context augmentation with concept-focused auxiliary contexts (CCExpand), which leverages a set of document snippets that serve as concise responses to the concept-aware CCQGen queries. Extensive experiments show that incorporating the academic concept index into both query generation and context augmentation leads to higher-quality queries, better conceptual alignment, and improved retrieval performance.

Zihao Li, Lecheng Zheng, Bowen Jin et al.

While great success has been achieved in building vision models with Contrastive Language-Image Pre-training (CLIP) over internet-scale image-text pairs, building transferable Graph Neural Networks (GNNs) with CLIP pipeline is challenging because of the scarcity of labeled data and text supervision, different levels of downstream tasks, and the conceptual gaps between domains. In this work, to address these issues, we propose a multi-modal prompt learning paradigm to effectively adapt pre-trained GNN to downstream tasks and data, given only a few semantically labeled samples, each with extremely weak text supervision. Our new paradigm embeds the graphs directly in the same space as the Large Language Models (LLMs) by learning both graph prompts and text prompts simultaneously. We demonstrate the superior performance of our paradigm in few-shot, multi-task-level, and cross-domain settings. Moreover, we build the first CLIP-style zero-shot classification prototype that can generalize GNNs to unseen classes with extremely weak text supervision. The code is available at https://github.com/Violet24K/Morpher.

Jimeng Shi, Azam Shirali, Bowen Jin et al.

Physics-based numerical models have been the bedrock of atmospheric sciences for decades, offering robust solutions but often at the cost of significant computational resources. Deep learning (DL) models have emerged as powerful tools in meteorology, capable of analyzing complex weather and climate data by learning intricate dependencies and providing rapid predictions once trained. While these models demonstrate promising performance in weather prediction, often surpassing traditional physics-based methods, they still face critical challenges. This paper presents a comprehensive survey of recent deep learning and foundation models for weather prediction. We propose a taxonomy to classify existing models based on their training paradigms: deterministic predictive learning, probabilistic generative learning, and pre-training and fine-tuning. For each paradigm, we delve into the underlying model architectures, address major challenges, offer key insights, and propose targeted directions for future research. Furthermore, we explore real-world applications of these methods and provide a curated summary of open-source code repositories and widely used datasets, aiming to bridge research advancements with practical implementations while fostering open and trustworthy scientific practices in adopting cutting-edge artificial intelligence for weather prediction. The related sources are available at https://github.com/JimengShi/ DL-Foundation-Models-Weather.

Haozhen Zhang, Haodong Yue, Tao Feng et al.

Memory is increasingly central to Large Language Model (LLM) agents operating beyond a single context window, yet most existing systems rely on offline, query-agnostic memory construction that can be inefficient and may discard query-critical information. Although runtime memory utilization is a natural alternative, prior work often incurs substantial overhead and offers limited explicit control over the performance-cost trade-off. In this work, we present \textbf{BudgetMem}, a runtime agent memory framework for explicit, query-aware performance-cost control. BudgetMem structures memory processing as a set of memory modules, each offered in three budget tiers (i.e., \textsc{Low}/\textsc{Mid}/\textsc{High}). A lightweight router performs budget-tier routing across modules to balance task performance and memory construction cost, which is implemented as a compact neural policy trained with reinforcement learning. Using BudgetMem as a unified testbed, we study three complementary strategies for realizing budget tiers: implementation (method complexity), reasoning (inference behavior), and capacity (module model size). Across LoCoMo, LongMemEval, and HotpotQA, BudgetMem surpasses strong baselines when performance is prioritized (i.e., high-budget setting), and delivers better accuracy-cost frontiers under tighter budgets. Moreover, our analysis disentangles the strengths and weaknesses of different tiering strategies, clarifying when each axis delivers the most favorable trade-offs under varying budget regimes.

Bowen Jin, TJ Collins, Donghan Yu et al.

Large language models (LLMs) exhibit complementary strengths across domains and come with varying inference costs, motivating the design of multi-agent LLM systems where specialized models collaborate efficiently. Existing approaches predominantly rely on decentralized frameworks, which invoke multiple LLMs for every input and thus lead to substantial and uncontrolled inference costs. In this work, we introduce a centralized multi-LLM framework, where a controller LLM selectively coordinates a pool of expert models in a cost-efficient and cost-controllable manner. We formulate this coordination problem as reinforcement learning with dual objectives: maximizing task performance while minimizing the overall inference cost. In addition, we expect the multi-agent system to have adapted behavior with different budget conditions during inference. To this end, we propose CoRL, a reinforcement learning framework that optimizes the performance cost trade-off in a controllable multi-budget setting. Experiments on four diverse benchmarks demonstrate that CoRL enables a single system to surpass the best expert LLM under high-budget settings, while maintaining strong performance in more economical low-budget modes, highlighting the effectiveness of centralized coordination for scalable and cost-efficient multi-agent LLM systems.

Zhiyang Xu, Tian Qin, Bowen Jin et al.

Multimodal large language models (MLLMs) have recently shown strong performance in visual understanding, yet they often lack temporal awareness, particularly in egocentric settings where reasoning depends on the correct ordering and evolution of events. This deficiency stems in part from training objectives that fail to explicitly reward temporal reasoning and instead rely on frame-level spatial shortcuts. To address this limitation, we propose Temporal Global Policy Optimization (TGPO), a reinforcement learning with verifiable rewards (RLVR) algorithm designed to incentivize temporal awareness in MLLMs. TGPO contrasts model outputs generated from temporally ordered versus shuffled video frames to derive calibrated, globally normalized reward signals that explicitly favor temporally coherent reasoning. Integrated with GRPO and GSPO, TGPO supports cold-start RL training and effectively suppresses spatial shortcut behaviors learned by existing MLLMs. Experiments across five egocentric video benchmarks demonstrate that TGPO consistently improves temporal grounding and causal coherence, outperforming prior RL-based video reasoning approaches. Our results suggest that TGPO offers a simple and scalable pathway toward temporally robust MLLMs for egocentric video understanding.

Yin Fang, Qiao Jin, Guangzhi Xiong et al.

Cell type annotation is a key task in analyzing the heterogeneity of single-cell RNA sequencing data. Although recent foundation models automate this process, they typically annotate cells independently, without considering batch-level cellular context or providing explanatory reasoning. In contrast, human experts often annotate distinct cell types for different cell clusters based on their domain knowledge. To mimic this workflow, we introduce the CellPuzzles task, where the objective is to assign unique cell types to a batch of cells. This benchmark spans diverse tissues, diseases, and donor conditions, and requires reasoning across the batch-level cellular context to ensure label uniqueness. We find that off-the-shelf large language models (LLMs) struggle on CellPuzzles, with the best baseline (OpenAI's o1) achieving only 19.0% batch-level accuracy. To fill this gap, we propose Cell-o1, a 7B LLM trained via supervised fine-tuning on distilled reasoning traces, followed by reinforcement learning with batch-level rewards. Cell-o1 achieves state-of-the-art performance, outperforming o1 by over 73% and generalizing well across contexts. Further analysis of training dynamics and reasoning behaviors provides insights into batch-level annotation performance and emergent expert-like reasoning. Code and data are available at https://github.com/ncbi-nlp/cell-o1.

Tiannuo Yang, Zebin Yao, Bowen Jin et al.

Large Language Model (LLM)-based search agents have shown remarkable capabilities in solving complex tasks by dynamically decomposing problems and addressing them through interleaved reasoning and retrieval. However, this interleaved paradigm introduces substantial efficiency bottlenecks. First, we observe that both highly accurate and overly approximate retrieval methods degrade system efficiency: exact search incurs significant retrieval overhead, while coarse retrieval requires additional reasoning steps during generation. Second, we identify inefficiencies in system design, including improper scheduling and frequent retrieval stalls, which lead to cascading latency -- where even minor delays in retrieval amplify end-to-end inference time. To address these challenges, we introduce SearchAgent-X, a high-efficiency inference framework for LLM-based search agents. SearchAgent-X leverages high-recall approximate retrieval and incorporates two key techniques: priority-aware scheduling and non-stall retrieval. Extensive experiments demonstrate that SearchAgent-X consistently outperforms state-of-the-art systems such as vLLM and HNSW-based retrieval across diverse tasks, achieving up to 3.4$\times$ higher throughput and 5$\times$ lower latency, without compromising generation quality. SearchAgent-X is available at https://github.com/tiannuo-yang/SearchAgent-X.

Yi Fang, Bowen Jin, Jiacheng Shen et al.

The rapid development of Multimodal Large Language Models (MLLMs) has enabled the integration of multiple modalities, including texts and images, within the large language model (LLM) framework. However, texts and images are usually interconnected, forming a multimodal attributed graph (MMAG). It is underexplored how MLLMs can incorporate the relational information (\textit{i.e.}, graph structure) and semantic information (\textit{i.e.,} texts and images) on such graphs for multimodal comprehension and generation. In this paper, we propose GraphGPT-o, which supports omni-multimodal understanding and creation on MMAGs. We first comprehensively study linearization variants to transform semantic and structural information as input for MLLMs. Then, we propose a hierarchical aligner that enables deep graph encoding, bridging the gap between MMAGs and MLLMs. Finally, we explore the inference choices, adapting MLLM to interleaved text and image generation in graph scenarios. Extensive experiments on three datasets from different domains demonstrate the effectiveness of our proposed method. Datasets and codes will be open-sourced upon acceptance.

Rohan Surana, Gagan Mundada, Junda Wu et al.

Traditional retrieval pipelines optimize utility through stages of candidate retrieval and reranking, where ranking operates over a predefined candidate set. Large Language Models (LLMs) broaden this into a generative process: given a candidate pool, an LLM can generate a subset and order it within a single autoregressive pass. However, this flexibility introduces a new optimization challenge: the model must search a combinatorial output space while receiving utility feedback only after the full ranked list is generated. Because this feedback is defined over the completed sequence, it cannot distinguish whether a poor result arises from failing to generate a relevant subset or from failing to rank that subset correctly. This credit assignment gap makes end-to-end optimization unstable and sample-inefficient. Existing systems often address this by separating candidate generation from ranking. However, such decoupling remains misaligned with downstream utility because ranking is limited by the candidate set it receives. To bridge this gap, we propose a unified framework that performs both within a single autoregressive rollout and optimizes them end-to-end via factorized group-relative policy optimization (F-GRPO). Our framework factorizes the policy into candidate generation and ranking while sharing a single LLM backbone, and jointly trains them with an order-invariant coverage reward and a position-aware utility reward. To address the resulting phase-specific credit assignment problem, we use separate group-relative advantages for generation and ranking within a two-phase sequence-level objective. Across sequential recommendation and multi-hop question answering benchmarks, F-GRPO improves top-ranked performance over GRPO and decoupled baselines, outperforms supervised alternatives, and remains competitive with strong zero-shot rerankers, with no architectural changes at inference time.

Junlin Wu, Xianrui Zhong, Jiashuo Sun et al.

Large language models (LLMs) have demonstrated remarkable advances in reasoning capabilities. However, their performance remains constrained by limited access to explicit and structured domain knowledge. Retrieval-Augmented Generation (RAG) addresses this by incorporating external information as context to augment reasoning. Nevertheless, traditional RAG systems typically operate over unstructured and fragmented text, resulting in low information density and suboptimal reasoning. To overcome these limitations, we propose \textsc{Structure-R1}, a novel framework that transforms retrieved content into structured representations optimized for reasoning. Leveraging reinforcement learning, \textsc{Structure-R1} learns a content representation policy that dynamically generates and adapts structural formats based on the demands of multi-step reasoning. Unlike prior methods that rely on fixed schemas, our approach adopts a generative paradigm capable of producing task-specific structures tailored to individual queries. To ensure the quality and reliability of these representations, we introduce a self-reward structural verification mechanism that checks whether the generated structures are both correct and self-contained. Extensive experiments on seven knowledge-intensive benchmarks show that \textsc{Structure-R1} consistently achieves competitive performance with a 7B-scale backbone model and matches the performance of much larger models. Additionally, our theoretical analysis demonstrates how structured representations enhance reasoning by improving information density and contextual clarity. Our code and data are available at: https://github.com/jlwu002/sr1.

Tian Qin, Felix Bai, Ting-Yao Hu et al.

Real-world large language model (LLM) agents must master strategic tool use and user preference optimization through multi-turn interactions to assist users with complex planning tasks. We introduce COMPASS (Constrained Optimization through Multi-turn Planning and Strategic Solutions), a benchmark that evaluates agents on realistic travel-planning scenarios. We cast travel planning as a constrained preference optimization problem, where agents must satisfy hard constraints while simultaneously optimizing soft user preferences. To support this, we build a realistic travel database covering transportation, accommodation, and ticketing for 20 U.S. National Parks, along with a comprehensive tool ecosystem that mirrors commercial booking platforms. Evaluating state-of-the-art models, we uncover two critical gaps: (i) an acceptable-optimal gap, where agents reliably meet constraints but fail to optimize preferences, and (ii) a plan-coordination gap, where performance collapses on multi-service (flight and hotel) coordination tasks, especially for open-source models. By grounding reasoning and planning in a practical, user-facing domain, COMPASS provides a benchmark that directly measures an agent's ability to optimize user preferences in realistic tasks, bridging theoretical advances with real-world impact.

Jiashuo Sun, Shixuan Liu, Zhaochen Su et al.

Prevailing methods for training Large Language Models (LLMs) as text encoders rely on contrastive losses that treat the model as a black box function, discarding its generative and reasoning capabilities in favor of static embeddings. We introduce GRACE (Generative Representation Learning via Contrastive Policy Optimization), a novel framework that reimagines contrastive signals not as losses to be minimized, but as rewards that guide a generative policy. In GRACE, the LLM acts as a policy that produces explicit, human-interpretable rationales--structured natural language explanations of its semantic understanding. These rationales are then encoded into high-quality embeddings via mean pooling. Using policy gradient optimization, we train the model with a multi-component reward function that maximizes similarity between query positive pairs and minimizes similarity with negatives. This transforms the LLM from an opaque encoder into an interpretable agent whose reasoning process is transparent and inspectable. On MTEB benchmark, GRACE yields broad cross category gains: averaged over four backbones, the supervised setting improves overall score by 11.5% over base models, and the unsupervised variant adds 6.9%, while preserving general capabilities. This work treats contrastive objectives as rewards over rationales, unifying representation learning with generation to produce stronger embeddings and transparent rationales. The model, data and code are available at https://github.com/GasolSun36/GRACE.

Jimeng Shi, Sizhe Zhou, Bowen Jin et al.

Large language models (LLMs) often need to incorporate external knowledge to solve theme-specific problems. Retrieval-augmented generation (RAG) has shown its high promise, empowering LLMs to generate more qualified responses with retrieved external data and knowledge. However, most RAG methods retrieve relevant documents based on either sparse or dense retrieval methods or their combinations, which overlooks the essential, multi-dimensional, and structured semantic information present in documents. This structured information plays a critical role in finding concise yet highly relevant information for domain knowledge-intensive tasks, such as scientific question-answering (QA). In this work, we introduce a multi-dimensional (cube) structure, Hypercube, which can index and allocate documents in a pre-defined multi-dimensional space. Built on the hypercube, we further propose Hypercube-RAG, a novel RAG framework for precise and efficient retrieval. Given a query, Hypercube-RAG first decomposes it based on its entities, phrases, and topics along with pre-defined hypercube dimensions, and then retrieves relevant documents from cubes by aligning these decomposed components with corresponding dimensions. Experiments on three datasets across different domains demonstrate that our method improves response accuracy by 3.7% and retrieval accuracy by 5.3% over the strongest RAG baseline. It also boosts retrieval efficiency (speed) by one or two magnitudes faster than graph-based RAG. Notably, our Hypercube-RAG inherently offers explainability by revealing those underlying dimensions used for retrieval. The code and data are available at https://github.com/JimengShi/Hypercube-RAG.

Yu Zhang, Xiusi Chen, Bowen Jin et al.

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the scientific discovery process. Nevertheless, previous surveys on scientific LLMs often concentrate on one or two fields or a single modality. In this paper, we aim to provide a more holistic view of the research landscape by unveiling cross-field and cross-modal connections between scientific LLMs regarding their architectures and pre-training techniques. To this end, we comprehensively survey over 260 scientific LLMs, discuss their commonalities and differences, as well as summarize pre-training datasets and evaluation tasks for each field and modality. Moreover, we investigate how LLMs have been deployed to benefit scientific discovery. Resources related to this survey are available at https://github.com/yuzhimanhua/Awesome-Scientific-Language-Models.

Jiayi Liu, Jiaxing Zhang, Bowen Jin et al.

Retrieval-augmented generation (RAG) is widely used to augment large language models (LLMs) with external knowledge. However, many benchmark datasets, designed to test RAG performance, comprise many questions that can already be answered from an LLM's parametric memory. This leads to unreliable evaluation. We refer to this phenomenon as knowledge leakage: cases where RAG tasks are solvable without retrieval. This issue worsens over time due to benchmark aging. As benchmarks are reused for training, their contents are increasingly absorbed into model parameters, making them less effective for evaluating retrieval. We introduce SeedRG, a semi-synthetic benchmark generation pipeline that mitigates knowledge leakage and addresses the issue of benchmark aging. Starting from a seed benchmark dataset, SeedRG extracts a reasoning graph from question-context pairs to capture their underlying reasoning structure, and then generates new examples via type-constrained entity replacement. This process produces structurally similar but novel instances that are unlikely to exist in the model's parametric knowledge, while preserving the original reasoning patterns. To ensure quality, we incorporate two verification steps: (1) a reasoning-graph consistency check to maintain task difficulty, and (2) a knowledge-leakage filter to exclude instances answerable without retrieval.

Tianxin Wei, Bowen Jin, Ruirui Li et al.

Developing a universal model that can effectively harness heterogeneous resources and respond to a wide range of personalized needs has been a longstanding community aspiration. Our daily choices, especially in domains like fashion and retail, are substantially shaped by multi-modal data, such as pictures and textual descriptions. These modalities not only offer intuitive guidance but also cater to personalized user preferences. However, the predominant personalization approaches mainly focus on the ID or text-based recommendation problem, failing to comprehend the information spanning various tasks or modalities. In this paper, our goal is to establish a Unified paradigm for Multi-modal Personalization systems (UniMP), which effectively leverages multi-modal data while eliminating the complexities associated with task- and modality-specific customization. We argue that the advancements in foundational generative modeling have provided the flexibility and effectiveness necessary to achieve the objective. In light of this, we develop a generic and extensible personalization generative framework, that can handle a wide range of personalized needs including item recommendation, product search, preference prediction, explanation generation, and further user-guided image generation. Our methodology enhances the capabilities of foundational language models for personalized tasks by seamlessly ingesting interleaved cross-modal user history information, ensuring a more precise and customized experience for users. To train and evaluate the proposed multi-modal personalized tasks, we also introduce a novel and comprehensive benchmark covering a variety of user requirements. Our experiments on the real-world benchmark showcase the model's potential, outperforming competitive methods specialized for each task.

Hongru Wang, Cheng Qian, Wanjun Zhong et al.

Tool-integrated reasoning (TIR) augments large language models (LLMs) with the ability to invoke external tools during long-form reasoning, such as search engines and code interpreters, to solve tasks beyond the capabilities of internal reasoning. While reinforcement learning (RL) has shown promise in training such agents, most of existing approaches typically optimize only for final correctness without considering the efficiency or necessity of external tool use. This often leads to excessive tool calling, incurring high computational costs and hindering the development of internal reasoning capabilities - a phenomenon known as \textit{cognitive offloading}. To this end, we propose Optimal Tool Call-controlled Policy Optimization (OTC-PO), a simple yet effective RL-based framework that encourages models to produce accurate answers with minimal tool calls. Our method introduces a tool-integrated reward that jointly considers answer correctness and corresponding tool use behavior of model to reach that answer. To validate the effectiveness, we introduce the metric of \textit{tool productivity}, defined as the ratio between the number of correct answers and the total number of tool calls across all test cases. This metric reflects how efficiently tool usage contributes to successful task completion, with higher values indicating smarter and more autonomous reasoning. We instantiate this framework within both Proximal Policy Optimization (PPO) and Group Relative Preference Optimization (GRPO), resulting in OTC-PPO and OTC-GRPO. Experiments with Qwen-2.5 and Qwen-Math across multiple QA benchmarks show that our approach reduces tool calls by up to 68.3\% and improves tool productivity by up to 215.4\%, while maintaining comparable answer accuracy.

Sizhe Zhou, Yu Meng, Bowen Jin et al.

Relation extraction (RE) aims to identify semantic relationships between entities within text. Despite considerable advancements, existing models predominantly require extensive annotated training data, which is both costly and labor-intensive to collect. Moreover, these models often struggle to adapt to new or unseen relations. Few-shot learning, aiming to lessen annotation demands, typically provides incomplete and biased supervision for target relations, leading to degraded and unstable performance. To accurately and explicitly describe relation semantics while minimizing annotation demands, we explore the definition only zero-shot RE setting where only relation definitions expressed in natural language are used to train a RE model. We introduce REPaL, comprising three stages: (1) We leverage large language models (LLMs) to generate initial seed instances from relation definitions and an unlabeled corpus. (2) We fine-tune a bidirectional Small Language Model (SLM) with initial seeds to learn relations for the target domain. (3) We expand pattern coverage and mitigate bias from initial seeds by integrating feedback from the SLM's predictions on the unlabeled corpus and the synthesis history. To accomplish this, we leverage the multi-turn conversation ability of LLMs to generate new instances in follow-up dialogues, informed by both the feedback and synthesis history. Studies reveal that definition-oriented seed synthesis enhances pattern coverage whereas indiscriminately increasing seed quantity leads to performance saturation. Experiments on two datasets show REPaL significantly improved cost-effective zero-shot performance by large margins.

SeongKu Kang, Shivam Agarwal, Bowen Jin et al.

Document retrieval has greatly benefited from the advancements of large-scale pre-trained language models (PLMs). However, their effectiveness is often limited in theme-specific applications for specialized areas or industries, due to unique terminologies, incomplete contexts of user queries, and specialized search intents. To capture the theme-specific information and improve retrieval, we propose to use a corpus topical taxonomy, which outlines the latent topic structure of the corpus while reflecting user-interested aspects. We introduce ToTER (Topical Taxonomy Enhanced Retrieval) framework, which identifies the central topics of queries and documents with the guidance of the taxonomy, and exploits their topical relatedness to supplement missing contexts. As a plug-and-play framework, ToTER can be flexibly employed to enhance various PLM-based retrievers. Through extensive quantitative, ablative, and exploratory experiments on two real-world datasets, we ascertain the benefits of using topical taxonomy for retrieval in theme-specific applications and demonstrate the effectiveness of ToTER.

Rohan Surana, Gagan Mundada, Xunyi Jiang et al.

Reinforcement learning (RL) has become a central post-training tool for improving the reasoning abilities of large language models (LLMs). In these systems, the rollout, the trajectory sampled from a prompt to termination, including intermediate reasoning steps and optional tool or environment interactions, determines the data the optimizer learns from, yet rollout design is often underreported. This survey provides an optimizer-agnostic view of rollout strategies for RL-based post-training of reasoning LLMs. We formalize rollout pipelines with unified notation and introduce Generate-Filter-Control-Replay (GFCR), a lifecycle taxonomy that decomposes rollout pipelines into four modular stages: Generate proposes candidate trajectories and topologies; Filter constructs intermediate signals via verifiers, judges, critics; Control allocates compute and makes continuation/branching/stopping decisions under budgets; and Replay retains and reuses artifacts across rollouts without weight updates, including self-evolving curricula that autonomously generate new training tasks. We complement GFCR with a criterion taxonomy of reliability, coverage, and cost sensitivity that characterizes rollout trade-offs. Using this framework, we synthesize methods spanning RL with verifiable rewards, process supervision, judge-based gating, guided and tree/segment rollouts, adaptive compute allocation, early-exit and partial rollouts, throughput optimization, and replay/recomposition for self-improvement. We ground the framework with case studies in math, code/SQL, multimodal reasoning, tool-using agents, and agentic skill benchmarks that evaluate skill induction, reuse, and cross-task transfer. Finally, we provide a diagnostic index that maps common rollout pathologies to GFCR modules and mitigation levers, alongside open challenges for building reproducible, compute-efficient, and trustworthy rollout pipelines.

SeongKu Kang, Bowen Jin, Wonbin Kweon et al.

In specialized fields like the scientific domain, constructing large-scale human-annotated datasets poses a significant challenge due to the need for domain expertise. Recent methods have employed large language models to generate synthetic queries, which serve as proxies for actual user queries. However, they lack control over the content generated, often resulting in incomplete coverage of academic concepts in documents. We introduce Concept Coverage-based Query set Generation (CCQGen) framework, designed to generate a set of queries with comprehensive coverage of the document's concepts. A key distinction of CCQGen is that it adaptively adjusts the generation process based on the previously generated queries. We identify concepts not sufficiently covered by previous queries, and leverage them as conditions for subsequent query generation. This approach guides each new query to complement the previous ones, aiding in a thorough understanding of the document. Extensive experiments demonstrate that CCQGen significantly enhances query quality and retrieval performance.

Xianrui Zhong, Bowen Jin, Siru Ouyang et al.

Retrieval-augmented generation (RAG) has emerged as a powerful framework for enhancing large language models (LLMs) with external knowledge, particularly in scientific domains that demand specialized and dynamic information. Despite its promise, the application of RAG in the chemistry domain remains underexplored, primarily due to the lack of high-quality, domain-specific corpora and well-curated evaluation benchmarks. In this work, we introduce ChemRAG-Bench, a comprehensive benchmark designed to systematically assess the effectiveness of RAG across a diverse set of chemistry-related tasks. The accompanying chemistry corpus integrates heterogeneous knowledge sources, including scientific literature, the PubChem database, PubMed abstracts, textbooks, and Wikipedia entries. In addition, we present ChemRAG-Toolkit, a modular and extensible RAG toolkit that supports five retrieval algorithms and eight LLMs. Using ChemRAG-Toolkit, we demonstrate that RAG yields a substantial performance gain -- achieving an average relative improvement of 17.4% over direct inference methods. We further conduct in-depth analyses on retriever architectures, corpus selection, and the number of retrieved passages, culminating in practical recommendations to guide future research and deployment of RAG systems in the chemistry domain. The code and data is available at https://chemrag.github.io.

Bowen Jin, Jinsung Yoon, Zhen Qin et al.

Large Language Models (LLMs) have revolutionized artificial intelligence with capabilities in reasoning, coding, and communication, driving innovation across industries. Their true potential depends on effective alignment to ensure correct, trustworthy and ethical behavior, addressing challenges like misinformation, hallucinations, bias and misuse. While existing Reinforcement Learning (RL)-based alignment methods are notoriously complex, direct optimization approaches offer a simpler alternative. In this work, we introduce a novel direct optimization approach for LLM alignment by drawing on established Information Retrieval (IR) principles. We present a systematic framework that bridges LLM alignment and IR methodologies, mapping LLM generation and reward models to IR's retriever-reranker paradigm. Building on this foundation, we propose LLM Alignment as Retriever Preference Optimization (LarPO), a new alignment method that enhances overall alignment quality. Extensive experiments validate LarPO's effectiveness with 38.9 % and 13.7 % averaged improvement on AlpacaEval2 and MixEval-Hard respectively. Our work opens new avenues for advancing LLM alignment by integrating IR foundations, offering a promising direction for future research.

Runchu Tian, Xueqiang Xu, Bowen Jin et al.

Scientific retrieval is essential for advancing scientific knowledge discovery. Within this process, document reranking plays a critical role in refining first-stage retrieval results. However, standard LLM listwise reranking faces challenges in the scientific domain. First-stage retrieval is often suboptimal in the scientific domain, so relevant documents are ranked lower. Meanwhile, conventional listwise reranking places the full text of candidates into the context window, limiting the number of candidates that can be considered. As a result, many relevant documents are excluded before reranking, constraining overall retrieval performance. To address these challenges, we explore semantic-feature-based compact document representations (e.g., categories, sections, and keywords) and propose CoRank, a training-free, model-agnostic reranking framework for scientific retrieval. It presents a three-stage solution: (i) offline extraction of document features, (ii) coarse-grained reranking using these compact representations, and (iii) fine-grained reranking on full texts of the top candidates from (ii). This integrated process addresses suboptimal first-stage retrieval: Compact representations allow more documents to fit within the context window, improving candidate set coverage, while the final fine-grained ranking ensures a more accurate ordering. Experiments on 5 academic retrieval datasets show that CoRank significantly improves reranking performance across different LLM backbones (average nDCG@10 from 50.6 to 55.5). Overall, these results underscore the synergistic interaction between information extraction and information retrieval, demonstrating how structured semantic features can enhance reranking in the scientific domain.

Zhenrui Yue, Bowen Jin, Huimin Zeng et al. · deepmind

Recent advances in large language models (LLMs) have introduced latent reasoning as a promising alternative to autoregressive reasoning. By performing internal computation with hidden states from previous steps, latent reasoning benefit from more informative features rather than sampling a discrete chain-of-thought (CoT) path. Yet latent reasoning approaches are often incompatible with LLMs, as their continuous paradigm conflicts with the discrete nature of autoregressive generation. Moreover, these methods rely on CoT traces for training and thus fail to exploit the inherent reasoning patterns of LLMs. In this work, we explore latent reasoning by leveraging the intrinsic capabilities of LLMs via reinforcement learning (RL). To this end, we introduce hybrid reasoning policy optimization (HRPO), an RL-based hybrid latent reasoning approach that (1) integrates prior hidden states into sampled tokens with a learnable gating mechanism, and (2) initializes training with predominantly token embeddings while progressively incorporating more hidden features. This design maintains LLMs' generative capabilities and incentivizes hybrid reasoning using both discrete and continuous representations. In addition, the hybrid HRPO introduces stochasticity into latent reasoning via token sampling, thereby enabling RL-based optimization without requiring CoT trajectories. Extensive evaluations across diverse benchmarks show that HRPO outperforms prior methods in both knowledge- and reasoning-intensive tasks. Furthermore, HRPO-trained LLMs remain interpretable and exhibit intriguing behaviors like cross-lingual patterns and shorter completion lengths, highlighting the potential of our RL-based approach and offer insights for future work in latent reasoning.

Qi Zhu, Da Zheng, Xiang Song et al.

Text-rich graphs, which exhibit rich textual information on nodes and edges, are prevalent across a wide range of real-world business applications. Large Language Models (LLMs) have demonstrated remarkable abilities in understanding text, which also introduced the potential for more expressive modeling in text-rich graphs. Despite these capabilities, efficiently applying LLMs to representation learning on graphs presents significant challenges. Recently, parameter-efficient fine-tuning methods for LLMs have enabled efficient new task generalization with minimal time and memory consumption. Inspired by this, we introduce Graph-aware Parameter-Efficient Fine-Tuning - GPEFT, a novel approach for efficient graph representation learning with LLMs on text-rich graphs. Specifically, we utilize a graph neural network (GNN) to encode structural information from neighboring nodes into a graph prompt. This prompt is then inserted at the beginning of the text sequence. To improve the quality of graph prompts, we pre-trained the GNN to assist the frozen LLM in predicting the next token in the node text. Compared with existing joint GNN and LMs, our method directly generate the node embeddings from large language models with an affordable fine-tuning cost. We validate our approach through comprehensive experiments conducted on 8 different text-rich graphs, observing an average improvement of 2% in hit@1 and Mean Reciprocal Rank (MRR) in link prediction evaluations. Our results demonstrate the efficacy and efficiency of our model, showing that it can be smoothly integrated with various large language models, including OPT, LLaMA and Falcon.

Carl Edwards, Chi Han, Gawon Lee et al.

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

Zhengliang Shi, Yiqun Chen, Haitao Li et al.

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard retrieval-augmented generation. Recently, numerous studies have explored Deep Research (DR), which aims to combine the reasoning capabilities of LLMs with external tools, such as search engines, thereby empowering LLMs to act as research agents capable of completing complex, open-ended tasks. This survey presents a comprehensive and systematic overview of deep research systems, including a clear roadmap, foundational components, practical implementation techniques, important challenges, and future directions. Specifically, our main contributions are as follows: (i) we formalize a three-stage roadmap and distinguish deep research from related paradigms; (ii) we introduce four key components: query planning, information acquisition, memory management, and answer generation, each paired with fine-grained sub-taxonomies; (iii) we summarize optimization techniques, including prompting, supervised fine-tuning, and agentic reinforcement learning; and (iv) we consolidate evaluation criteria and open challenges, aiming to guide and facilitate future development. As the field of deep research continues to evolve rapidly, we are committed to continuously updating this survey to reflect the latest progress in this area.

Shenao Zhang, Donghan Yu, Yihao Feng et al.

Large language models excel with reinforcement learning (RL), but fully unlocking this potential requires a mid-training stage. An effective mid-training phase should identify a compact set of useful actions and enable fast selection among them through online RL. We formalize this intuition by presenting the first theoretical result on how mid-training shapes post-training: it characterizes an action subspace that minimizes both the value approximation error from pruning and the RL error during subsequent planning. Our analysis reveals two key determinants of mid-training effectiveness: pruning efficiency, which shapes the prior of the initial RL policy, and its impact on RL convergence, which governs the extent to which that policy can be improved via online interactions. These results suggest that mid-training is most effective when the decision space is compact and the effective horizon is short, highlighting the importance of operating in the space of action abstractions rather than primitive actions. Building on these insights, we propose Reasoning as Action Abstractions (RA3), a scalable mid-training algorithm. Specifically, we derive a sequential variational lower bound and optimize it by iteratively discovering temporally-consistent latent structures via RL, followed by fine-tuning on the bootstrapped data. Experiments on code generation tasks demonstrate the effectiveness of our approach. Across multiple base models, RA3 improves the average performance on HumanEval and MBPP by 8 and 4 points over the base model and the next-token prediction baseline. Furthermore, RA3 achieves faster convergence and higher asymptotic performance in RLVR on HumanEval+, MBPP+, LiveCodeBench, and Codeforces.

Pengcheng Jiang, Shivam Agarwal, Bowen Jin et al.

The mission of open knowledge graph (KG) completion is to draw new findings from known facts. Existing works that augment KG completion require either (1) factual triples to enlarge the graph reasoning space or (2) manually designed prompts to extract knowledge from a pre-trained language model (PLM), exhibiting limited performance and requiring expensive efforts from experts. To this end, we propose TAGREAL that automatically generates quality query prompts and retrieves support information from large text corpora to probe knowledge from PLM for KG completion. The results show that TAGREAL achieves state-of-the-art performance on two benchmark datasets. We find that TAGREAL has superb performance even with limited training data, outperforming existing embedding-based, graph-based, and PLM-based methods.

Bowen Jin, Wentao Zhang, Yu Zhang et al.

A real-world text corpus sometimes comprises not only text documents but also semantic links between them (e.g., academic papers in a bibliographic network are linked by citations and co-authorships). Text documents and semantic connections form a text-rich network, which empowers a wide range of downstream tasks such as classification and retrieval. However, pretraining methods for such structures are still lacking, making it difficult to build one generic model that can be adapted to various tasks on text-rich networks. Current pretraining objectives, such as masked language modeling, purely model texts and do not take inter-document structure information into consideration. To this end, we propose our PretrAining on TexT-Rich NetwOrk framework Patton. Patton includes two pretraining strategies: network-contextualized masked language modeling and masked node prediction, to capture the inherent dependency between textual attributes and network structure. We conduct experiments on four downstream tasks in five datasets from both academic and e-commerce domains, where Patton outperforms baselines significantly and consistently.

Junhan Yang, Zheng Liu, Bowen Jin et al.

Transformer encoding networks have been proved to be a powerful tool of understanding natural languages. They are playing a critical role in native ads service, which facilitates the recommendation of appropriate ads based on user's web browsing history. For the sake of efficient recommendation, conventional methods would generate user and advertisement embeddings independently with a siamese transformer encoder, such that approximate nearest neighbour search (ANN) can be leveraged. Given that the underlying semantic about user and ad can be complicated, such independently generated embeddings are prone to information loss, which leads to inferior recommendation quality. Although another encoding strategy, the cross encoder, can be much more accurate, it will lead to huge running cost and become infeasible for realtime services, like native ads recommendation. In this work, we propose hybrid encoder, which makes efficient and precise native ads recommendation through two consecutive steps: retrieval and ranking. In the retrieval step, user and ad are encoded with a siamese component, which enables relevant candidates to be retrieved via ANN search. In the ranking step, it further represents each ad with disentangled embeddings and each user with ad-related embeddings, which contributes to the fine-grained selection of high-quality ads from the candidate set. Both steps are light-weighted, thanks to the pre-computed and cached intermedia results. To optimize the hybrid encoder's performance in this two-stage workflow, a progressive training pipeline is developed, which builds up the model's capability in the retrieval and ranking task step-by-step. The hybrid encoder's effectiveness is experimentally verified: with very little additional cost, it outperforms the siamese encoder significantly and achieves comparable recommendation quality as the cross encoder.