Kaiwen Shi

Zhengqing Yuan, Kaiwen Shi, Zheyuan Zhang et al.

Scientific research relies on accurate citation for attribution and integrity, yet large language models (LLMs) introduce a new risk: fabricated references that appear plausible but correspond to no real publications. Such hallucinated citations have already been observed in submissions and accepted papers at major machine learning venues, exposing vulnerabilities in peer review. Meanwhile, rapidly growing reference lists make manual verification impractical, and existing automated tools remain fragile to noisy and heterogeneous citation formats and lack standardized evaluation. We present the first comprehensive benchmark and detection framework for hallucinated citations in scientific writing. Our multi-agent verification pipeline decomposes citation checking into claim extraction, evidence retrieval, passage matching, reasoning, and calibrated judgment to assess whether a cited source truly supports its claim. We construct a large-scale human-validated dataset across domains and define unified metrics for citation faithfulness and evidence alignment. Experiments with state-of-the-art LLMs reveal substantial citation errors and show that our framework significantly outperforms prior methods in both accuracy and interpretability. This work provides the first scalable infrastructure for auditing citations in the LLM era and practical tools to improve the trustworthiness of scientific references.

Zheyuan Zhang, Kaiwen Shi, Han Bao et al.

Post-training has become central to improving reasoning and alignment in large language models, where critic-free models enable scalable learning from model-generated outputs but lack principled mechanisms to distinguish informative from noisy signals. Recent approaches leverage response-level measures as uncertainty signals to regulate group-based optimization methods such as GRPO. Yet their empirical success remains unstable and unclear in how they influence optimization dynamics. In this paper, we provide, to our knowledge, the first principled formulation that interprets uncertainty signals as mechanisms for characterizing and regulating gradient variance and learning signal quality. Based on both empirical and theoretical analysis, we identify two critical gaps of current entropy-based estimators: The anisotropic gap and The calibration gap. Motivated by this analysis, we propose Geometric-aware Calibrated Policy Optimization (GCPO), a novel framework integrating geometry-aware measures to capture semantic disagreement with reward-based calibration to align uncertainty with learning signal strength. Experiments on multiple benchmarks show that our approach more faithfully tracks gradient variability and consistently improves post-training performance. Our results highlight the importance of designing uncertainty signals that are aligned with optimization dynamics, offering a principled perspective for robust post-training.

Shanglin Wu, Yuyang Luo, Yueqing Liang et al.

Large language model (LLM) multi-agent systems can scale along two distinct dimensions: by increasing the number of agents and by improving through accumulated experience over time. Although prior work has studied these dimensions separately, their interaction under realistic cost constraints remains unclear. In this paper, we introduce a conceptual scaling view of multi-agent systems that jointly considers team size and lifelong learning ability, and we study how memory design shares this landscape. To this end, we propose \textbf{LLMA-Mem}, a lifelong memory framework for LLM multi-agent systems under flexible memory topologies. We evaluate LLMA-Mem on \textsc{MultiAgentBench} across coding, research, and database environments. Empirically, LLMA-Mem consistently improves long-horizon performance over baselines while reducing cost. Our analysis further reveals a non-monotonic scaling landscape: larger teams do not always produce better long-term performance, and smaller teams can outperform larger ones when memory better supports the reuse of experience. These findings position memory design as a practical path for scaling multi-agent systems more effectively and more efficiently over time.

Han Bao, Zheyuan Zhang, Pengcheng Jing et al.

As Large Language Models transition to autonomous agents, user inputs frequently violate cooperative assumptions (e.g., implicit intent, missing parameters, false presuppositions, or ambiguous expressions), creating execution risks that text-only evaluations do not capture. Existing benchmarks typically assume well-specified instructions or restrict evaluation to text-only, single-turn clarification, and thus do not measure multi-turn disambiguation under grounded execution risk. We introduce \textbf{Drift-Bench}, the first diagnostic benchmark that evaluates agentic pragmatics under input faults through multi-turn clarification across state-oriented and service-oriented execution environments. Grounded in classical theories of communication, \textbf{Drift-Bench} provides a unified taxonomy of cooperative breakdowns and employs a persona-driven user simulator with the \textbf{Rise} evaluation protocol. Experiments show substantial performance drops under these faults, with clarification effectiveness varying across user personas and fault types. \MethodName bridges clarification research and agent safety evaluation, enabling systematic diagnosis of failures that can lead to unsafe executions.

Yijun Ma, Zehong Wang, Weixiang Sun et al.

The opioid epidemic remains one of the most severe public health crises in the United States, yet evaluating policy interventions before implementation is difficult: multiple policies interact within a dynamic system where targeting one risk pathway may inadvertently amplify another. We argue that effective opioid policy evaluation requires three capabilities -- forecasting future outcomes under current policies, counterfactual reasoning about alternative past decisions, and optimization over candidate interventions -- and propose to unify them through world modeling. We introduce Policy4OOD, a knowledge-guided spatio-temporal world model that addresses three core challenges: what policies prescribe, where effects manifest, and when effects unfold.Policy4OOD jointly encodes policy knowledge graphs, state-level spatial dependencies, and socioeconomic time series into a policy-conditioned Transformer that forecasts future opioid outcomes.Once trained, the world model serves as a simulator: forecasting requires only a forward pass, counterfactual analysis substitutes alternative policy encodings in the historical sequence, and policy optimization employs Monte Carlo Tree Search over the learned simulator. To support this framework, we construct a state-level monthly dataset (2019--2024) integrating opioid mortality, socioeconomic indicators, and structured policy encodings. Experiments demonstrate that spatial dependencies and structured policy knowledge significantly improve forecasting accuracy, validating each architectural component and the potential of world modeling for data-driven public health decision support.

Jiatan Huang, Zheyuan Zhang, Kaiwen Shi et al.

Large language model agents often exhibit complementary strengths, making routing a promising approach for multi-agent question answering. However, existing routing methods remain limited in two important ways: they typically optimize over a fixed pool of agents without improving the agents themselves, and they often rely on rigid collaboration schemes that cannot adapt the number of participating agents to the query. We propose EvolveRouter, a trainable framework that addresses both limitations by jointly improving agent quality and collaboration structure. First, EvolveRouter couples graph-based query routing with targeted instruction refinement in a closed-loop co-evolution process, allowing router diagnostics to guide agent improvement while refined agents provide cleaner supervision for routing. Second, it introduces an adaptive inference strategy that dynamically determines the effective collaboration size for each query through router-weighted answer agreement. Together, these designs enable more capable and more efficient multi-agent reasoning. Experiments on five question answering benchmarks show that EvolveRouter consistently outperforms SOTA routing baselines in both F1 and exact match, while further analysis confirms the benefits of closed-loop refinement and adaptive collaboration.

Kaiwen Shi, Carlos Oliver

Protein structure tokenizers (PSTs) are workhorses in protein language modeling, function prediction, and evolutionary analysis. However, existing PSTs only capture local geometry of static structures, and miss the correlated motions and alternative conformational states revealed by protein ensembles. Here we introduce Ensembits, the first tokenizer of protein conformational ensembles. Ensembits address challenges inherent to tokenizing dynamics: deriving informative geometric descriptors across conformations, permutation-invariance encoding of variable-size ensembles, and conquering sparsity in dynamics data. Trained with a Residual VQ-VAE using a frame distillation objective on a large molecular dynamics corpus, Ensembits outperforms all related methods on RMSF prediction, and is the strongest standalone structural tokenizer on an token-conditioned ANOVA test on per-residue motion amplitude. Ensembits further matches or exceeds static tokenizers on EC, GO, binding site/affinity prediction, and zero-shot mutation-effect prediction despite using far less pretraining data. Notably, the distillation objective enables Ensembits to predict dynamics token from one single predicted structure, which alleviates dynamics data sparsity. As the field moves from static structure prediction toward ensemble generation, Ensembits offer the discrete vocabulary needed to bring dynamics into protein language modeling and design.

Kaiwen Shi, Yifei Li, Binh Ho et al.

In recent years, machine learning algorithms have achieved much success in segmenting lesions across various tissues. There is, however, not one satisfying model that works well on all tissue types universally. In response to this need, we attempt to train a model that 1) works well on all tissue types, and 2) is capable of still performing fast inferences. To this end, we design our architectures, test multiple existing architectures, compare their results, and settle upon SwinUnet. We document our rationales, successes, and failures. Finally, we propose some further directions that we think are worth exploring. codes: https://github.com/KWFredShi/ULS2023NGKD.git

Yanfang Ye, Zheyuan Zhang, Tianyi Ma et al.

Cutting-edge Artificial Intelligence (AI) techniques keep reshaping our view of the world. For example, Large Language Models (LLMs) based applications such as ChatGPT have shown the capability of generating human-like conversation on extensive topics. Due to the impressive performance on a variety of language-related tasks (e.g., open-domain question answering, translation, and document summarization), one can envision the far-reaching impacts that can be brought by the LLMs with broader real-world applications (e.g., customer service, education and accessibility, and scientific discovery). Inspired by their success, this paper will offer an overview of state-of-the-art LLMs and their integration into a wide range of academic disciplines, including: (1) arts, letters, and law (e.g., history, philosophy, political science, arts and architecture, law), (2) economics and business (e.g., finance, economics, accounting, marketing), and (3) science and engineering (e.g., mathematics, physics and mechanical engineering, chemistry and chemical engineering, life sciences and bioengineering, earth sciences and civil engineering, computer science and electrical engineering). Integrating humanity and technology, in this paper, we will explore how LLMs are shaping research and practice in these fields, while also discussing key limitations, open challenges, and future directions in the era of generative AI. The review of how LLMs are engaged across disciplines-along with key observations and insights-can help researchers and practitioners interested in exploiting LLMs to advance their works in diverse real-world applications.

Zheyuan Zhang, Kaiwen Shi, Zhengqing Yuan et al.

Large language models (LLMs) and agent-based frameworks have advanced rapidly, enabling diverse applications. Yet, with the proliferation of models and agentic strategies, practitioners face substantial uncertainty in selecting the best configuration for a downstream task. Prior studies show that different agents and backbones exhibit complementary strengths, and that larger models are not always superior, underscoring the need for adaptive routing mechanisms. Existing approaches to agent routing, however, often emphasize cost efficiency while overlooking the fine-grained contextual and relational structure inherent in QA tasks. In this paper, we propose tAgentRouter, a framework that formulates multi-agent QA as a knowledge-graph-guided routing problem supervised by empirical performance signals. Specifically, we convert QA instance into a knowledge graph that jointly encodes queries, contextual entities, and agents, and then train a heterogeneous graph neural network (GNN) to propagate information across node types and produce task-aware routing distributions over agents. By leveraging soft supervision and weighted aggregation of agent outputs, AgentRouter learns principled collaboration schemes that capture the complementary strengths of diverse agents. Extensive experiments demonstrate that our framework consistently outperforms single-agent and ensemble baselines, while generalizing across benchmarks and LLM backbones. These results highlight the effectiveness and robustness of graph-supervised multi-agent routing for question answering.

Xinran Liu, Yikun Bai, Rocío Díaz Martín et al.

Efficient comparison of spherical probability distributions becomes important in fields such as computer vision, geosciences, and medicine. Sliced optimal transport distances, such as spherical and stereographic spherical sliced Wasserstein distances, have recently been developed to address this need. These methods reduce the computational burden of optimal transport by slicing hyperspheres into one-dimensional projections, i.e., lines or circles. Concurrently, linear optimal transport has been proposed to embed distributions into \( L^2 \) spaces, where the \( L^2 \) distance approximates the optimal transport distance, thereby simplifying comparisons across multiple distributions. In this work, we introduce the Linear Spherical Sliced Optimal Transport (LSSOT) framework, which utilizes slicing to embed spherical distributions into \( L^2 \) spaces while preserving their intrinsic geometry, offering a computationally efficient metric for spherical probability measures. We establish the metricity of LSSOT and demonstrate its superior computational efficiency in applications such as cortical surface registration, 3D point cloud interpolation via gradient flow, and shape embedding. Our results demonstrate the significant computational benefits and high accuracy of LSSOT in these applications.

Xiao Li, Bolin Zhu, Kaiwen Shi et al.

The application of formulas (e.g., physics formulas) is a fundamental human ability in solving numerical reasoning problems. Existing numerical reasoning datasets rarely explicitly state the formulas employed, as their questions often rely on implicit commonsense mathematical knowledge. To address this gap, we introduce FormulaReasoning, a new dataset specifically designed for formula-based numerical reasoning. It consists of 5,324 questions that require numerical calculations grounded in external physics formulas. We provide normalized, fine-grained annotations in both English and Chinese, including formula structures, parameter names, symbols, numerical values, and units-curated through extensive manual effort with LLM-assisted validation to ensure high quality. Additionally, we offer a consolidated formula database to serve as an external knowledge source. We analyze various reasoning approaches on FormulaReasoning, with emphasis on comparative evaluation of different architectural and methodological frameworks. Our assessment includes retrieval-augmented methods, approaches that decompose reasoning into formula generation, parameter extraction, and numerical calculation, as well as optimization techniques using preference data. We identify key challenges in formula-based numerical reasoning that require further investigation across different reasoning paradigms, highlighting opportunities for methodological advancement.

Zhengqing Yuan, Yiyang Li, Weixiang Sun et al.

Food insecurity remains a persistent public health emergency in the United States, tightly interwoven with chronic disease, mental illness, and opioid misuse. Yet despite the existence of thousands of food banks and pantries, access remains fragmented: 1) current retrieval systems depend on static directories or generic search engines, which provide incomplete and geographically irrelevant results; 2) LLM-based chatbots offer only vague nutritional suggestions and fail to adapt to real-world constraints such as time, mobility, and transportation; and 3) existing food recommendation systems optimize for culinary diversity but overlook survival-critical needs of food-insecure populations, including immediate proximity, verified availability, and contextual barriers. These limitations risk leaving the most vulnerable individuals, those experiencing homelessness, addiction, or digital illiteracy, unable to access urgently needed resources. To address this, we introduce Food4All, the first multi-agent framework explicitly designed for real-time, context-aware free food retrieval. Food4All unifies three innovations: 1) heterogeneous data aggregation across official databases, community platforms, and social media to provide a continuously updated pool of food resources; 2) a lightweight reinforcement learning algorithm trained on curated cases to optimize for both geographic accessibility and nutritional correctness; and 3) an online feedback loop that dynamically adapts retrieval policies to evolving user needs. By bridging information acquisition, semantic analysis, and decision support, Food4All delivers nutritionally annotated and guidance at the point of need. This framework establishes an urgent step toward scalable, equitable, and intelligent systems that directly support populations facing food insecurity and its compounding health risks.

Kaiwen Shi, Zheyuan Zhang, Zhengqing Yuan et al.

Diet plays a central role in human health, and Nutrition Question Answering (QA) offers a promising path toward personalized dietary guidance and the prevention of diet-related chronic diseases. However, existing methods face two fundamental challenges: the limited reasoning capacity of single-agent systems and the complexity of designing effective multi-agent architectures, as well as contextual overload that hinders accurate decision-making. We introduce Nutritional-Graph Router (NG-Router), a novel framework that formulates nutritional QA as a supervised, knowledge-graph-guided multi-agent collaboration problem. NG-Router integrates agent nodes into heterogeneous knowledge graphs and employs a graph neural network to learn task-aware routing distributions over agents, leveraging soft supervision derived from empirical agent performance. To further address contextual overload, we propose a gradient-based subgraph retrieval mechanism that identifies salient evidence during training, thereby enhancing multi-hop and relational reasoning. Extensive experiments across multiple benchmarks and backbone models demonstrate that NG-Router consistently outperforms both single-agent and ensemble baselines, offering a principled approach to domain-aware multi-agent reasoning for complex nutritional health tasks.