Pengcheng Jiang

Haoxiang Zhang, Qixin Xu, Zhuofeng Li et al.

Long-horizon search agents accumulate large amounts of retrieved content across many tool calls, making context-budget efficiency increasingly important. A minimal intervention is to mask stale observations from the context as the trajectory progresses, but it remains unclear when this form of context management helps and why. We study observation masking through a systematic sweep over various agent backbones (4B to 284B parameters) and three retrievers on offline and live-web agentic search benchmarks. We find that the accuracy gain from masking follows an asymmetric inverted-U shape when plotted against the model's accuracy without context management: a plateau under weak retrievers, a peak when a strong retriever meets a mid-capacity model, and a sharp collapse when the model is saturated. This pattern reflects the interaction between retriever recall and the model's implicit filtering capacity, rather than either factor in isolation. Mechanistically, masking implements a token-for-turn trade-off: it removes observations the model has largely stopped attending to and pages the agent rarely re-opens. The added turns help when they convert failures into successes, but they fail when masking removes evidence the model would otherwise have used. We therefore reframe context management as a regime-dependent intervention and provide a holistic perspective for analyzing context use in agentic deep search. We release our scaffold and trajectories here (https://github.com/i-DeepSearch/observation-masking) to support future research.

Joey Chan, Wonbin Kweon, Ashley Shin et al.

Large language models (LLMs) have shown promise for molecular property prediction, but their ability to reason over chemical structures remains limited, as molecular representations such as SMILES differ substantially from the natural language on which LLMs are primarily trained. To bridge this semantic and chemical knowledge gap, we propose MolE-RAG, a training-free, molecule-centric retrieval-augmented generation framework for LLM-based molecular property prediction. MolE-RAG augments each prediction with three complementary sources of inference-time context: retrieved chemistry literature, molecule-specific information including compound synonyms, identifiers, functional group annotations, and physicochemical descriptors, and structurally similar molecules retrieved from the training set. We evaluate MolE-RAG across nine molecular property prediction tasks using proprietary, chemistry-specialized, and open-source LLMs. Across general-purpose LLMs, MolE-RAG improves ROC-AUC by up to 28 percentage points on classification tasks and reduces regression RMSE by up to 67% relative to a SMILES-only baseline. We further find that the utility of each context source varies across models and tasks, with different models benefiting most from textual retrieval, molecular context, or structural retrieval. These results suggest that molecule-centric retrieval can improve LLM-based molecular property prediction without model fine-tuning while providing a flexible framework for integrating heterogeneous chemical knowledge at inference time.

Pengcheng Jiang, Zhiyi Shi, Kelly Hong et al.

Search agents are often trained as policies over growing transcripts: the model must decide how to search while also remembering what it has seen, which evidence is useful, which constraints remain open, and which claims have actually been checked. We argue that this formulation puts too much routine state management inside the policy: reinforcement learning is forced to optimize both semantic search decisions and recoverable bookkeeping that the environment can maintain more reliably. We introduce Harness-1, a 20B search agent (retrieval subagent) trained with reinforcement learning inside a stateful search harness. The harness maintains environment-side working memory, including a candidate pool, an importance-tagged curated set, compact evidence links, verification records, compressed and deduplicated observations, and budget-aware context rendering. The policy retains the semantic decisions: what to search, which documents to keep or discard, what to verify, and when to stop. Across eight retrieval benchmarks spanning web, finance, patents, and multi-hop QA, Harness-1 achieves 0.730 average curated recall, outperforming the next strongest open search subagent by +11.4 points and remaining competitive with much larger frontier-model searchers. Its gains are especially strong on held-out transfer benchmarks, suggesting that reinforcement learning over explicit search state can produce retrieval behaviors that generalize beyond the training domains. Our code is available at https://github.com/pat-jj/harness-1.

Pengcheng Jiang, Jiacheng Lin, Zhiyi Shi et al. · stanford

Cutting-edge agentic AI systems are built on foundation models that can be adapted to plan, reason, and interact with external tools to perform increasingly complex and specialized tasks. As these systems grow in capability and scope, adaptation becomes a central mechanism for improving performance, reliability, and generalization. In this paper, we unify the rapidly expanding research landscape into a systematic framework that spans both agent adaptations and tool adaptations. We further decompose these into tool-execution-signaled and agent-output-signaled forms of agent adaptation, as well as agent-agnostic and agent-supervised forms of tool adaptation. We demonstrate that this framework helps clarify the design space of adaptation strategies in agentic AI, makes their trade-offs explicit, and provides practical guidance for selecting or switching among strategies during system design. We then review the representative approaches in each category, analyze their strengths and limitations, and highlight key open challenges and future opportunities. Overall, this paper aims to offer a conceptual foundation and practical roadmap for researchers and practitioners seeking to build more capable, efficient, and reliable agentic AI systems.

Pengcheng Jiang, Cao Xiao, Tianfan Fu et al.

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling molecular data, they often struggle to capture the full complexity of molecular representations. In this paper, we introduce a novel method called GODE, which accounts for the dual-level structure inherent in molecules. Molecules possess an intrinsic graph structure and simultaneously function as nodes within a broader molecular knowledge graph. GODE integrates individual molecular graph representations with multi-domain biochemical data from knowledge graphs. By pre-training two GNNs on different graph structures and employing contrastive learning, GODE effectively fuses molecular structures with their corresponding knowledge graph substructures. This fusion yields a more robust and informative representation, enhancing molecular property predictions by leveraging both chemical and biological information. When fine-tuned across 11 chemical property tasks, our model significantly outperforms existing benchmarks, achieving an average ROC-AUC improvement of 12.7% for classification tasks and an average RMSE/MAE improvement of 34.4% for regression tasks. Notably, GODE surpasses the current leading model in property prediction, with advancements of 2.2% in classification and 7.2% in regression tasks.

Jiashuo Sun, Pengcheng Jiang, Saizhuo Wang et al.

Retrieval-Augmented Generation (RAG) systems remain brittle under realistic retrieval noise, even when the required evidence appears in the top-K results. A key reason is that retrievers and rerankers optimize solely for relevance, often selecting either trivial, answer-revealing passages or evidence that lacks the critical information required to answer the question, without considering whether the evidence is suitable for the generator. We propose BAR-RAG, which reframes the reranker as a boundary-aware evidence selector that targets the generator's Goldilocks Zone -- evidence that is neither trivially easy nor fundamentally unanswerable for the generator, but is challenging yet sufficient for inference and thus provides the strongest learning signal. BAR-RAG trains the selector with reinforcement learning using generator feedback, and adopts a two-stage pipeline that fine-tunes the generator under the induced evidence distribution to mitigate the distribution mismatch between training and inference. Experiments on knowledge-intensive question answering benchmarks show that BAR-RAG consistently improves end-to-end performance under noisy retrieval, achieving an average gain of 10.3 percent over strong RAG and reranking baselines while substantially improving robustness. Code is publicly avaliable at https://github.com/GasolSun36/BAR-RAG.

Yu Xue, Pengcheng Jiang, Chenchen Zhu et al.

Neural architecture search (NAS) has emerged as a powerful paradigm that enables researchers to automatically explore vast search spaces and discover efficient neural networks. However, NAS suffers from a critical bottleneck, i.e. the evaluation of numerous architectures during the search process demands substantial computing resources and time. In order to improve the efficiency of NAS, a series of methods have been proposed to reduce the evaluation time of neural architectures. However, they are not efficient enough and still only focus on the accuracy of architectures. Beyond classification accuracy, real-world applications increasingly demand more efficient and compact network architectures that balance multiple performance criteria. To address these challenges, we propose the SMEMNAS, a pairwise comparison relation-assisted multi-objective evolutionary algorithm based on a multi-population mechanism. In the SMEMNAS, a surrogate model is constructed based on pairwise comparison relations to predict the accuracy ranking of architectures, rather than the absolute accuracy. Moreover, two populations cooperate with each other in the search process, i.e. a main population that guides the evolutionary process, while a vice population that enhances search diversity. Our method aims to discover high-performance models that simultaneously optimize multiple objectives. We conduct comprehensive experiments on CIFAR-10, CIFAR-100 and ImageNet datasets to validate the effectiveness of our approach. With only a single GPU searching for 0.17 days, competitive architectures can be found by SMEMNAS which achieves 78.91% accuracy with the MAdds of 570M on the ImageNet. This work makes a significant advancement in the field of NAS.

Jiashuo Sun, Jimeng Shi, Yixuan Xie et al.

Retrieval-Augmented Generation (RAG) has become a standard approach for knowledge-intensive question answering, but existing systems remain brittle on multi-hop questions, where solving the task requires chaining multiple retrieval and reasoning steps. Key challenges are that current methods represent reasoning through free-form natural language, where intermediate states are implicit, retrieval queries can drift from intended entities, and errors are detected by the same model that produces them making self-reflection an unreliable, ungrounded signal. We observe that multi-hop question answering is a typical form of step-by-step computation, and that this structured process aligns closely with how code-specialized language models are trained to operate. Motivated by this, we introduce \pyrag, a framework that reformulates multi-hop RAG as program synthesis and execution. Instead of free-form reasoning trajectories, \pyrag represents the reasoning process as an executable Python program over retrieval and QA tools, exposing intermediate states as variables, producing deterministic feedback through execution, and yielding an inspectable trace of the entire reasoning process. This formulation further enables compiler-grounded self-repair and execution-driven adaptive retrieval without any additional training. Experiments on five QA benchmarks (PopQA, HotpotQA, 2WikiMultihopQA, MuSiQue, and Bamboogle) show that \pyrag consistently outperforms strong baselines under both training-free and RL-trained settings, with especially large gains on compositional multi-hop datasets. Our code, data and models are publicly available at https://github.com/GasolSun36/PyRAG.

Heng Wang, Pengcheng Jiang, Jiashuo Sun et al.

Large language models (LLMs) are increasingly used to assist ideation in research, but evaluating the quality of LLM-generated research proposals remains difficult: novelty and soundness are hard to measure automatically, and large-scale human evaluation is costly. We propose a verifiable alternative by reframing proposal generation as a time-sliced scientific forecasting problem. Given a research question and inspiring papers available before a cutoff time, the model generates a structured proposal and is evaluated by whether it anticipates research directions that appear in papers published after the time. We operationalize this objective with the Future Alignment Score (FAS), computed via retrieval and LLM-based semantic scoring against a held-out future corpus. To train models, we build a time-consistent dataset of 17,771 papers from targets and their pre-cutoff citations, and synthesize reasoning traces that teach gap identification and inspiration borrowing. Across Llama-3.1 and Qwen2.5 models, future-aligned tuning improves future alignment over unaligned baselines (up to +10.6% overall FAS), and domain-expert human evaluation corroborates improved proposal quality. Finally, we demonstrate practical impact by implementing two model-generated proposals with a code agent, obtaining 4.17% accuracy gain on MATH from a new prompting strategy and consistent improvements for a novel model-merging method.

Pengcheng Jiang, Lang Cao, Ruike Zhu et al. · amazon-science

Large language models (LLMs) have achieved impressive performance on knowledge-intensive tasks, yet they often struggle with multi-step reasoning due to the unstructured nature of retrieved context. While retrieval-augmented generation (RAG) methods provide external information, the lack of explicit organization among retrieved passages limits their effectiveness, leading to brittle reasoning pathways. Recent interpretability studies highlighting the importance of structured intermediate reasoning further align with this perspective. We propose Retrieval-And-Structuring (RAS), a framework that dynamically constructs query-specific knowledge graphs through iterative retrieval and structured knowledge building. RAS interleaves targeted retrieval planning with incremental graph construction, enabling models to assemble and reason over evolving knowledge structures tailored to each query. On seven knowledge-intensive benchmarks, RAS consistently outperforms strong baselines, achieving up to 6.4% and 7.0% gains with open-source and proprietary LLMs, respectively. Our results demonstrate that dynamic, query-specific knowledge structuring offers a robust path to improving reasoning accuracy and robustness in language model generation. Our data and code can be found at https://github.com/pat-jj/RAS.

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.

Wonbin Kweon, SeongKu Kang, Runchu Tian et al.

The effectiveness of in-context learning relies heavily on selecting demonstrations that provide all the necessary information for a given test input. To achieve this, it is crucial to identify and cover fine-grained knowledge requirements. However, prior methods often retrieve demonstrations based solely on embedding similarity or generation probability, resulting in irrelevant or redundant examples. In this paper, we propose TopicK, a topic coverage-based retrieval framework that selects demonstrations to comprehensively cover topic-level knowledge relevant to both the test input and the model. Specifically, TopicK estimates the topics required by the input and assesses the model's knowledge on those topics. TopicK then iteratively selects demonstrations that introduce previously uncovered required topics, in which the model exhibits low topical knowledge. We validate the effectiveness of TopicK through extensive experiments across various datasets and both open- and closed-source LLMs. Our source code is available at https://github.com/WonbinKweon/TopicK_EMNLP2025.

Pengcheng Jiang, Xueqiang Xu, Jiacheng Lin et al.

Retrieval-augmented generation (RAG) systems empower large language models (LLMs) to access external knowledge during inference. Recent advances have enabled LLMs to act as search agents via reinforcement learning (RL), improving information acquisition through multi-turn interactions with retrieval engines. However, existing approaches either optimize retrieval using search-only metrics (e.g., NDCG) that ignore downstream utility or fine-tune the entire LLM to jointly reason and retrieve-entangling retrieval with generation and limiting the real search utility and compatibility with frozen or proprietary models. In this work, we propose s3, a lightweight, model-agnostic framework that decouples the searcher from the generator and trains the searcher using a Gain Beyond RAG reward: the improvement in generation accuracy over naive RAG. s3 requires only 2.4k training samples to outperform baselines trained on over 70x more data, consistently delivering stronger downstream performance across six general QA and five medical QA benchmarks.

Pengcheng Jiang, Cao Xiao, Zifeng Wang et al.

The advent of large language models (LLMs) has significantly advanced natural language processing tasks like text summarization. However, their large size and computational demands, coupled with privacy concerns in data transmission, limit their use in resource-constrained and privacy-centric settings. To overcome this, we introduce TriSum, a framework for distilling LLMs' text summarization abilities into a compact, local model. Initially, LLMs extract a set of aspect-triple rationales and summaries, which are refined using a dual-scoring method for quality. Next, a smaller local model is trained with these tasks, employing a curriculum learning strategy that evolves from simple to complex tasks. Our method enhances local model performance on various benchmarks (CNN/DailyMail, XSum, and ClinicalTrial), outperforming baselines by 4.5%, 8.5%, and 7.4%, respectively. It also improves interpretability by providing insights into the summarization rationale.

SeongKu Kang, Yunyi Zhang, Pengcheng Jiang et al. · amazon-science

Academic paper search is an essential task for efficient literature discovery and scientific advancement. While dense retrieval has advanced various ad-hoc searches, it often struggles to match the underlying academic concepts between queries and documents, which is critical for paper search. To enable effective academic concept matching for paper search, we propose Taxonomy-guided Semantic Indexing (TaxoIndex) framework. TaxoIndex extracts key concepts from papers and organizes them as a semantic index guided by an academic taxonomy, and then leverages this index as foundational knowledge to identify academic concepts and link queries and documents. As a plug-and-play framework, TaxoIndex can be flexibly employed to enhance existing dense retrievers. Extensive experiments show that TaxoIndex brings significant improvements, even with highly limited training data, and greatly enhances interpretability.

Pengcheng Jiang, Jiacheng Lin, Zifeng Wang et al.

The field of relation extraction (RE) is experiencing a notable shift towards generative relation extraction (GRE), leveraging the capabilities of large language models (LLMs). However, we discovered that traditional relation extraction (RE) metrics like precision and recall fall short in evaluating GRE methods. This shortfall arises because these metrics rely on exact matching with human-annotated reference relations, while GRE methods often produce diverse and semantically accurate relations that differ from the references. To fill this gap, we introduce GenRES for a multi-dimensional assessment in terms of the topic similarity, uniqueness, granularity, factualness, and completeness of the GRE results. With GenRES, we empirically identified that (1) precision/recall fails to justify the performance of GRE methods; (2) human-annotated referential relations can be incomplete; (3) prompting LLMs with a fixed set of relations or entities can cause hallucinations. Next, we conducted a human evaluation of GRE methods that shows GenRES is consistent with human preferences for RE quality. Last, we made a comprehensive evaluation of fourteen leading LLMs using GenRES across document, bag, and sentence level RE datasets, respectively, to set the benchmark for future research in GRE

Pengcheng Jiang, Siru Ouyang, Yizhu Jiao et al.

Large Language Models (LLMs) have revolutionized natural language processing with their remarkable capabilities in text generation and reasoning. However, these models face critical challenges when deployed in real-world applications, including hallucination generation, outdated knowledge, and limited domain expertise. Retrieval And Structuring (RAS) Augmented Generation addresses these limitations by integrating dynamic information retrieval with structured knowledge representations. This survey (1) examines retrieval mechanisms including sparse, dense, and hybrid approaches for accessing external knowledge; (2) explore text structuring techniques such as taxonomy construction, hierarchical classification, and information extraction that transform unstructured text into organized representations; and (3) investigate how these structured representations integrate with LLMs through prompt-based methods, reasoning frameworks, and knowledge embedding techniques. It also identifies technical challenges in retrieval efficiency, structure quality, and knowledge integration, while highlighting research opportunities in multimodal retrieval, cross-lingual structures, and interactive systems. This comprehensive overview provides researchers and practitioners with insights into RAS methods, applications, and future directions.

Xueqiang Xu, Jinfeng Xiao, James Barry et al.

Entity structure extraction, which aims to extract entities and their associated attribute-value structures from text, is an essential task for text understanding and knowledge graph construction. Existing methods based on large language models (LLMs) typically rely heavily on predefined entity attribute schemas or annotated datasets, often leading to incomplete extraction results. To address these challenges, we introduce Zero-Shot Open-schema Entity Structure Discovery (ZOES), a novel approach to entity structure extraction that does not require any schema or annotated samples. ZOES operates via a principled mechanism of enrichment, refinement, and unification, based on the insight that an entity and its associated structure are mutually reinforcing. Experiments demonstrate that ZOES consistently enhances LLMs' ability to extract more complete entity structures across three different domains, showcasing both the effectiveness and generalizability of the method. These findings suggest that such an enrichment, refinement, and unification mechanism may serve as a principled approach to improving the quality of LLM-based entity structure discovery in various scenarios.

Jash Rajesh Parekh, Wonbin Kweon, Joey Chan et al.

Current biomedical question answering (QA) systems often assume that medical knowledge applies uniformly, yet real-world clinical reasoning is inherently conditional: nearly every decision depends on patient-specific factors such as comorbidities and contraindications. Existing benchmarks do not evaluate such conditional reasoning, and retrieval-augmented or graph-based methods lack explicit mechanisms to ensure that retrieved knowledge is applicable to given context. To address this gap, we propose CondMedQA, the first benchmark for conditional biomedical QA, consisting of multi-hop questions whose answers vary with patient conditions. Furthermore, we propose Condition-Gated Reasoning (CGR), a novel framework that constructs condition-aware knowledge graphs and selectively activates or prunes reasoning paths based on query conditions. Our findings show that CGR more reliably selects condition-appropriate answers while matching or exceeding state-of-the-art performance on biomedical QA benchmarks, highlighting the importance of explicitly modeling conditionality for robust medical reasoning.

Pengcheng Jiang, Judith Yue Li, Moonkyung Ryu et al.

Many modern retrieval problems are set-valued: given a broad intent, the system must return a collection of results that optimizes higher-order properties (e.g., diversity, coverage, complementarity, coherence) while remaining grounded with respect to a fixed database. Set-valued objectives are typically non-decomposable and are not captured by existing supervised (query, content) datasets which only prioritize top-1 retrieval. Consequently, fan-out retrieval is often employed to generate diverse subqueries to retrieve item sets. While reinforcement learning (RL) can optimize set-level objectives via interaction, deploying an RL-tuned LLM for fan-out retrieval is prohibitively expensive at inference time. Conversely, diffusion-based generative retrieval enables efficient single-pass fan-out in embedding space, but requires objective-aligned training targets. To address these issues, we propose R4T (Retrieve-for-Train), which uses RL once as an objective transducer in a three-step process: (i) train a fan-out LLM with composite set-level rewards, (ii) synthesize objective-consistent training pairs, and (iii) train a lightweight diffusion retriever to model the conditional distribution of set-valued outputs. Across large-scale fashion and music benchmarks consisting of curated item sets, we show that R4T improves retrieval quality relative to strong baselines while reducing query-time fan-out latency by an order of magnitude.

Lang Qin, Zijian Gan, Xu Cao et al.

Computational drug repurposing for rare diseases is especially challenging when no prior associations exist between drugs and target diseases. Therefore, knowledge graph completion and message-passing GNNs have little reliable signal to learn and propagate, resulting in poor performance. We present RareAgent, a self-evolving multi-agent system that reframes this task from passive pattern recognition to active evidence-seeking reasoning. RareAgent organizes task-specific adversarial debates in which agents dynamically construct evidence graphs from diverse perspectives to support, refute, or entail hypotheses. The reasoning strategies are analyzed post hoc in a self-evolutionary loop, producing textual feedback that refines agent policies, while successful reasoning paths are distilled into transferable heuristics to accelerate future investigations. Comprehensive evaluations reveal that RareAgent improves the indication AUPRC by 18.1% over reasoning baselines and provides a transparent reasoning chain consistent with clinical evidence.

Jash Rajesh Parekh, Pengcheng Jiang, Jiawei Han

Retrieval-Augmented Generation (RAG) systems fail at complex multi-hop reasoning because they rely on large language models to implicitly connect information from unstructured document collections. This fundamental limitation stems from treating retrieved passages as independent context rather than recognizing the intricate relationships that enable coherent reasoning chains. We introduce SARG (Structure-Augmented Reasoning Generation), a post-retrieval framework that transforms traditional RAG pipelines by materializing explicit reasoning structures. SARG extracts {cause, relation, effect} triples from retrieved documents, constructs domain-adaptive graphs, and performs multi-hop traversal to discover reasoning chains that bridge query concepts to answers. Unlike existing approaches that modify retrieval mechanisms, SARG operates as a plug-and-play reasoning layer compatible with any RAG system. Extensive evaluation across diverse domains: general QA, biomedical literature, and financial analysis demonstrates that SARG achieves substantial improvements over state-of-the-art RAG baselines. Crucially, SARG also provides full reasoning traceability through explicit inference chains, addressing the critical interpretability gap in current RAG systems. Our results establish that explicit structural reasoning is not merely beneficial but essential for reliable complex question answering, offering a solution to RAG's implicit reasoning bottleneck.

Zifeng Wang, Qiao Jin, Jiacheng Lin et al.

Developing artificial intelligence (AI) for vertical domains requires a solid data foundation for both training and evaluation. In this work, we introduce TrialPanorama, a large-scale, structured database comprising 1,657,476 clinical trial records aggregated from 15 global sources. The database captures key aspects of trial design and execution, including trial setups, interventions, conditions, biomarkers, and outcomes, and links them to standard biomedical ontologies such as DrugBank and MedDRA. This structured and ontology-grounded design enables TrialPanorama to serve as a unified, extensible resource for a wide range of clinical trial tasks, including trial planning, design, and summarization. To demonstrate its utility, we derive a suite of benchmark tasks directly from the TrialPanorama database. The benchmark spans eight tasks across two categories: three for systematic review (study search, study screening, and evidence summarization) and five for trial design (arm design, eligibility criteria, endpoint selection, sample size estimation, and trial completion assessment). The experiments using five state-of-the-art large language models (LLMs) show that while general-purpose LLMs exhibit some zero-shot capability, their performance is still inadequate for high-stakes clinical trial workflows. We release TrialPanorama database and the benchmark to facilitate further research on AI for clinical trials.

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.

Pengcheng Jiang, Cao Xiao, Adam Cross et al.

Clinical predictive models often rely on patients' electronic health records (EHR), but integrating medical knowledge to enhance predictions and decision-making is challenging. This is because personalized predictions require personalized knowledge graphs (KGs), which are difficult to generate from patient EHR data. To address this, we propose \textsc{GraphCare}, an open-world framework that uses external KGs to improve EHR-based predictions. Our method extracts knowledge from large language models (LLMs) and external biomedical KGs to build patient-specific KGs, which are then used to train our proposed Bi-attention AugmenTed (BAT) graph neural network (GNN) for healthcare predictions. On two public datasets, MIMIC-III and MIMIC-IV, \textsc{GraphCare} surpasses baselines in four vital healthcare prediction tasks: mortality, readmission, length of stay (LOS), and drug recommendation. On MIMIC-III, it boosts AUROC by 17.6\% and 6.6\% for mortality and readmission, and F1-score by 7.9\% and 10.8\% for LOS and drug recommendation, respectively. Notably, \textsc{GraphCare} demonstrates a substantial edge in scenarios with limited data availability. Our findings highlight the potential of using external KGs in healthcare prediction tasks and demonstrate the promise of \textsc{GraphCare} in generating personalized KGs for promoting personalized medicine.

Pengcheng Jiang, Kenji Tei

Users interacting with a system through UI are typically obliged to perform their actions in a pre-determined order, to successfully achieve certain functional goals. However, such obligations are often not followed strictly by users, which may lead to the violation to security properties, especially in security-critical systems. To improve the security with the awareness of unexpected user behaviors, a system can be redesigned to a more robust one by changing the order of actions in its specification. Meanwhile, we anticipate that the functionalities would remain consistent following the modifications. In this paper, we propose an efficient algorithm to automatically produce specification revisions tackling the attack scenarios caused by weakened user obligations. By our algorithm, all the revisions would be generated to maintain the integrity of the functionalities using a novel recomposition approach. Then, the eligible revisions that can satisfy the security requirements would be efficiently spotted by a hybrid approach combining model checking and machine learning techniques. We evaluate our algorithm by comparing its performance with a state-of-the-art approach regarding their coverage and searching speed of the desirable revisions.