arXiv subjects

Aidong Zhang

Publications and source records attributed to Aidong Zhang.

At least 55 records · Page 3Linked to original sources

arXiv2025

Toward Reliable Scientific Hypothesis Generation: Evaluating Truthfulness and Hallucination in Large Language Models

Large language models (LLMs) have shown significant potential in scientific disciplines such as biomedicine, particularly in hypothesis generation, where they can analyze vast literature, identify patterns, and suggest research directions. However, a key challenge lies in evaluating the truthfulness of generated hypotheses, as verifying their accuracy often requires substantial time and resources. Additionally, the hallucination problem in LLMs can lead to the generation of hypotheses that appear plausible but are ultimately incorrect, undermining their reliability. To facilitate the systematic study of these challenges, we introduce TruthHypo, a benchmark for assessing the capabilities of LLMs in generating truthful scientific hypotheses, and KnowHD, a knowledge-based hallucination detector to evaluate how well hypotheses are grounded in existing knowledge. Our results show that LLMs struggle to generate truthful hypotheses. By analyzing hallucinations in reasoning steps, we demonstrate that the groundedness scores provided by KnowHD serve as an effective metric for filtering truthful hypotheses from the diverse outputs of LLMs. Human evaluations further validate the utility of KnowHD in identifying truthful hypotheses and accelerating scientific discovery. Our data and source code are available at https://github.com/Teddy-XiongGZ/TruthHypo.

cs.CL↗

arXiv2025

MedCite: Can Language Models Generate Verifiable Text for Medicine?

Existing LLM-based medical question-answering systems lack citation generation and evaluation capabilities, raising concerns about their adoption in practice. In this work, we introduce \name, the first end-to-end framework that facilitates the design and evaluation of citation generation with LLMs for medical tasks. Meanwhile, we introduce a novel multi-pass retrieval-citation method that generates high-quality citations. Our evaluation highlights the challenges and opportunities of citation generation for medical tasks, while identifying important design choices that have a significant impact on the final citation quality. Our proposed method achieves superior citation precision and recall improvements compared to strong baseline methods, and we show that evaluation results correlate well with annotation results from professional experts.

cs.CL↗

arXiv2025

Cell-o1: Training LLMs to Solve Single-Cell Reasoning Puzzles with Reinforcement Learning

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.

cs.CL↗

arXiv2025

NeuronTune: Towards Self-Guided Spurious Bias Mitigation

Deep neural networks often develop spurious bias, reliance on correlations between non-essential features and classes for predictions. For example, a model may identify objects based on frequently co-occurring backgrounds rather than intrinsic features, resulting in degraded performance on data lacking these correlations. Existing mitigation approaches typically depend on external annotations of spurious correlations, which may be difficult to obtain and are not relevant to the spurious bias in a model. In this paper, we take a step towards self-guided mitigation of spurious bias by proposing NeuronTune, a post hoc method that directly intervenes in a model's internal decision process. Our method probes in a model's latent embedding space to identify and regulate neurons that lead to spurious prediction behaviors. We theoretically justify our approach and show that it brings the model closer to an unbiased one. Unlike previous methods, NeuronTune operates without requiring spurious correlation annotations, making it a practical and effective tool for improving model robustness. Experiments across different architectures and data modalities demonstrate that our method significantly mitigates spurious bias in a self-guided way.

cs.LG↗

arXiv2025

A Comprehensive Survey on the Risks and Limitations of Concept-based Models

Concept-based Models are a class of inherently explainable networks that improve upon standard Deep Neural Networks by providing a rationale behind their predictions using human-understandable `concepts'. With these models being highly successful in critical applications like medical diagnosis and financial risk prediction, there is a natural push toward their wider adoption in sensitive domains to instill greater trust among diverse stakeholders. However, recent research has uncovered significant limitations in the structure of such networks, their training procedure, underlying assumptions, and their susceptibility to adversarial vulnerabilities. In particular, issues such as concept leakage, entangled representations, and limited robustness to perturbations pose challenges to their reliability and generalization. Additionally, the effectiveness of human interventions in these models remains an open question, raising concerns about their real-world applicability. In this paper, we provide a comprehensive survey on the risks and limitations associated with Concept-based Models. In particular, we focus on aggregating commonly encountered challenges and the architecture choices mitigating these challenges for Supervised and Unsupervised paradigms. We also examine recent advances in improving their reliability and discuss open problems and promising avenues of future research in this domain.

cs.LG↗

arXiv2025

Humans and Large Language Models in Clinical Decision Support: A Study with Medical Calculators

Although large language models (LLMs) have been assessed for general medical knowledge using licensing exams, their ability to support clinical decision-making, such as selecting medical calculators, remains uncertain. We assessed nine LLMs, including open-source, proprietary, and domain-specific models, with 1,009 multiple-choice question-answer pairs across 35 clinical calculators and compared LLMs to humans on a subset of questions. While the highest-performing LLM, OpenAI o1, provided an answer accuracy of 66.0% (CI: 56.7-75.3%) on the subset of 100 questions, two human annotators nominally outperformed LLMs with an average answer accuracy of 79.5% (CI: 73.5-85.0%). Ultimately, we evaluated medical trainees and LLMs in recommending medical calculators across clinical scenarios like risk stratification and diagnosis. With error analysis showing that the highest-performing LLMs continue to make mistakes in comprehension (49.3% of errors) and calculator knowledge (7.1% of errors), our findings highlight that LLMs are not superior to humans in calculator recommendation.

cs.CL↗

arXiv2025

ASCENT-ViT: Attention-based Scale-aware Concept Learning Framework for Enhanced Alignment in Vision Transformers

As Vision Transformers (ViTs) are increasingly adopted in sensitive vision applications, there is a growing demand for improved interpretability. This has led to efforts to forward-align these models with carefully annotated abstract, human-understandable semantic entities - concepts. Concepts provide global rationales to the model predictions and can be quickly understood/intervened on by domain experts. Most current research focuses on designing model-agnostic, plug-and-play generic concept-based explainability modules that do not incorporate the inner workings of foundation models (e.g., inductive biases, scale invariance, etc.) during training. To alleviate this issue for ViTs, in this paper, we propose ASCENT-ViT, an attention-based, concept learning framework that effectively composes scale and position-aware representations from multiscale feature pyramids and ViT patch representations, respectively. Further, these representations are aligned with concept annotations through attention matrices - which incorporate spatial and global (semantic) concepts. ASCENT-ViT can be utilized as a classification head on top of standard ViT backbones for improved predictive performance and accurate and robust concept explanations as demonstrated on five datasets, including three widely used benchmarks (CUB, Pascal APY, Concept-MNIST) and 2 real-world datasets (AWA2, KITS).

cs.CV↗

arXiv2025

Client-Centric Federated Adaptive Optimization

Federated Learning (FL) is a distributed learning paradigm where clients collaboratively train a model while keeping their own data private. With an increasing scale of clients and models, FL encounters two key challenges, client drift due to a high degree of statistical/system heterogeneity, and lack of adaptivity. However, most existing FL research is based on unrealistic assumptions that virtually ignore system heterogeneity. In this paper, we propose Client-Centric Federated Adaptive Optimization, which is a class of novel federated adaptive optimization approaches. We enable several features in this framework such as arbitrary client participation, asynchronous server aggregation, and heterogeneous local computing, which are ubiquitous in real-world FL systems but are missed in most existing works. We provide a rigorous convergence analysis of our proposed framework for general nonconvex objectives, which is shown to converge with the best-known rate. Extensive experiments show that our approaches consistently outperform the baseline by a large margin across benchmarks.

cs.LG↗

arXiv2024

Ensuring Safety and Trust: Analyzing the Risks of Large Language Models in Medicine

The remarkable capabilities of Large Language Models (LLMs) make them increasingly compelling for adoption in real-world healthcare applications. However, the risks associated with using LLMs in medical applications have not been systematically characterized. We propose using five key principles for safe and trustworthy medical AI: Truthfulness, Resilience, Fairness, Robustness, and Privacy, along with ten specific aspects. Under this comprehensive framework, we introduce a novel MedGuard benchmark with 1,000 expert-verified questions. Our evaluation of 11 commonly used LLMs shows that the current language models, regardless of their safety alignment mechanisms, generally perform poorly on most of our benchmarks, particularly when compared to the high performance of human physicians. Despite recent reports indicate that advanced LLMs like ChatGPT can match or even exceed human performance in various medical tasks, this study underscores a significant safety gap, highlighting the crucial need for human oversight and the implementation of AI safety guardrails.

cs.CL↗

arXiv2024

Towards 250-m gigabits-per-second underwater wireless optical communication using a low-complexity ANN equalizer

The breakthroughs of communication distance and data rate have been eagerly anticipated by scientists in the area of underwater wireless optical communication (UWOC), which is seriously limited by the obvious aquatic attenuation in underwater channel. High-power laser source and ultra-sensitive photodetector are straightforward to extend the UWOC distance. However, nonlinear impairments caused by bandwidth-limited high-power transmitter and sensitive receiver severely degrade the data rate of long-distance UWOC. In this paper, we develop a UWOC system using a high-power transmitter by beam combining of 8-channel cascaded laser diodes (LD) and a sensitive receiver by a silicon photomultiplier (SiPM). The combined linear equalizer and low-complexity Artificial Neural Network (ANN) equalizer are used to achieve 1-Gbps data transmission over a 250-m UWOC system. To the best of our knowledge, this is the first Gbps-level UWOC experimental demonstration in >250-meter underwater transmission that has ever been reported. To lower the complexity of the ANN equalizer, a linear equalizer is applied first in order to prune the input size of the ANN equalizer. The optimal input size of the ANN equalizer is identified as 9. And the ANN architecture consists of two hidden layers, with 10 neurons in the first layer and a single neuron in the second layer. The performance of the proposed ANN-based system is compared with that of systems employing Volterra and linear equalizers. The bit error rate (BER) at data rate of 1 Gbps over a 250-m UWOC is reduced to with the combined linear and ANN equalizer, which is below the hard-decision forward error correction (HD-FEC) limit. In contrast, the linear and Volterra equalizer-based systems achieve data rates of 500 Mbps and 750 Mbps, respectively.

physics.optics↗

arXiv2024

Improving Scientific Hypothesis Generation with Knowledge Grounded Large Language Models

Large language models (LLMs) have demonstrated remarkable capabilities in various scientific domains, from natural language processing to complex problem-solving tasks. Their ability to understand and generate human-like text has opened up new possibilities for advancing scientific research, enabling tasks such as data analysis, literature review, and even experimental design. One of the most promising applications of LLMs in this context is hypothesis generation, where they can identify novel research directions by analyzing existing knowledge. However, despite their potential, LLMs are prone to generating ``hallucinations'', outputs that are plausible-sounding but factually incorrect. Such a problem presents significant challenges in scientific fields that demand rigorous accuracy and verifiability, potentially leading to erroneous or misleading conclusions. To overcome these challenges, we propose KG-CoI (Knowledge Grounded Chain of Ideas), a novel system that enhances LLM hypothesis generation by integrating external, structured knowledge from knowledge graphs (KGs). KG-CoI guides LLMs through a structured reasoning process, organizing their output as a chain of ideas (CoI), and includes a KG-supported module for the detection of hallucinations. With experiments on our newly constructed hypothesis generation dataset, we demonstrate that KG-CoI not only improves the accuracy of LLM-generated hypotheses but also reduces the hallucination in their reasoning chains, highlighting its effectiveness in advancing real-world scientific research.

cs.CL↗

arXiv2024

IdeaBench: Benchmarking Large Language Models for Research Idea Generation

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of a comprehensive and systematic evaluation framework for generating research ideas using LLMs poses a significant obstacle to understanding and assessing their generative capabilities in scientific discovery. To address this gap, we propose IdeaBench, a benchmark system that includes a comprehensive dataset and an evaluation framework for standardizing the assessment of research idea generation using LLMs. Our dataset comprises titles and abstracts from a diverse range of influential papers, along with their referenced works. To emulate the human process of generating research ideas, we profile LLMs as domain-specific researchers and ground them in the same context considered by human researchers. This maximizes the utilization of the LLMs' parametric knowledge to dynamically generate new research ideas. We also introduce an evaluation framework for assessing the quality of generated research ideas. Our evaluation framework is a two-stage process: first, using GPT-4o to rank ideas based on user-specified quality indicators such as novelty and feasibility, enabling scalable personalization; and second, calculating relative ranking based "Insight Score" to quantify the chosen quality indicator. The proposed benchmark system will be a valuable asset for the community to measure and compare different LLMs, ultimately advancing the automation of the scientific discovery process.

cs.CL↗

arXiv2024

Structural Causality-based Generalizable Concept Discovery Models

The rising need for explainable deep neural network architectures has utilized semantic concepts as explainable units. Several approaches utilizing disentangled representation learning estimate the generative factors and utilize them as concepts for explaining DNNs. However, even though the generative factors for a dataset remain fixed, concepts are not fixed entities and vary based on downstream tasks. In this paper, we propose a disentanglement mechanism utilizing a variational autoencoder (VAE) for learning mutually independent generative factors for a given dataset and subsequently learning task-specific concepts using a structural causal model (SCM). Our method assumes generative factors and concepts to form a bipartite graph, with directed causal edges from generative factors to concepts. Experiments are conducted on datasets with known generative factors: D-sprites and Shapes3D. On specific downstream tasks, our proposed method successfully learns task-specific concepts which are explained well by the causal edges from the generative factors. Lastly, separate from current causal concept discovery methods, our methodology is generalizable to an arbitrary number of concepts and flexible to any downstream tasks.

cs.LG↗

arXiv2024

Improving Retrieval-Augmented Generation in Medicine with Iterative Follow-up Questions

The emergent abilities of large language models (LLMs) have demonstrated great potential in solving medical questions. They can possess considerable medical knowledge, but may still hallucinate and are inflexible in the knowledge updates. While Retrieval-Augmented Generation (RAG) has been proposed to enhance the medical question-answering capabilities of LLMs with external knowledge bases, it may still fail in complex cases where multiple rounds of information-seeking are required. To address such an issue, we propose iterative RAG for medicine (i-MedRAG), where LLMs can iteratively ask follow-up queries based on previous information-seeking attempts. In each iteration of i-MedRAG, the follow-up queries will be answered by a conventional RAG system and they will be further used to guide the query generation in the next iteration. Our experiments show the improved performance of various LLMs brought by i-MedRAG compared with conventional RAG on complex questions from clinical vignettes in the United States Medical Licensing Examination (USMLE), as well as various knowledge tests in the Massive Multitask Language Understanding (MMLU) dataset. Notably, our zero-shot i-MedRAG outperforms all existing prompt engineering and fine-tuning methods on GPT-3.5, achieving an accuracy of 69.68% on the MedQA dataset. In addition, we characterize the scaling properties of i-MedRAG with different iterations of follow-up queries and different numbers of queries per iteration. Our case studies show that i-MedRAG can flexibly ask follow-up queries to form reasoning chains, providing an in-depth analysis of medical questions. To the best of our knowledge, this is the first-of-its-kind study on incorporating follow-up queries into medical RAG. The implementation of i-MedRAG is available at https://github.com/Teddy-XiongGZ/MedRAG.

cs.CL↗

arXiv2024

ProtoNAM: Prototypical Neural Additive Models for Interpretable Deep Tabular Learning

Generalized additive models (GAMs) have long been a powerful white-box tool for the intelligible analysis of tabular data, revealing the influence of each feature on the model predictions. Despite the success of neural networks (NNs) in various domains, their application as NN-based GAMs in tabular data analysis remains suboptimal compared to tree-based ones, and the opacity of encoders in NN-GAMs also prevents users from understanding how networks learn the functions. In this work, we propose a new deep tabular learning method, termed Prototypical Neural Additive Model (ProtoNAM), which introduces prototypes into neural networks in the framework of GAMs. With the introduced prototype-based feature activation, ProtoNAM can flexibly model the irregular mapping from tabular features to the outputs while maintaining the explainability of the final prediction. We also propose a gradient-boosting inspired hierarchical shape function modeling method, facilitating the discovery of complex feature patterns and bringing transparency into the learning process of each network layer. Our empirical evaluations demonstrate that ProtoNAM outperforms all existing NN-based GAMs, while providing additional insights into the shape function learned for each feature. The source code of ProtoNAM is available at \url{https://github.com/Teddy-XiongGZ/ProtoNAM}.

cs.LG↗

arXiv2024

Benchmarking Spurious Bias in Few-Shot Image Classifiers

Few-shot image classifiers are designed to recognize and classify new data with minimal supervision and limited data but often show reliance on spurious correlations between classes and spurious attributes, known as spurious bias. Spurious correlations commonly hold in certain samples and few-shot classifiers can suffer from spurious bias induced from them. There is an absence of an automatic benchmarking system to assess the robustness of few-shot classifiers against spurious bias. In this paper, we propose a systematic and rigorous benchmark framework, termed FewSTAB, to fairly demonstrate and quantify varied degrees of robustness of few-shot classifiers to spurious bias. FewSTAB creates few-shot evaluation tasks with biased attributes so that using them for predictions can demonstrate poor performance. To construct these tasks, we propose attribute-based sample selection strategies based on a pre-trained vision-language model, eliminating the need for manual dataset curation. This allows FewSTAB to automatically benchmark spurious bias using any existing test data. FewSTAB offers evaluation results in a new dimension along with a new design guideline for building robust classifiers. Moreover, it can benchmark spurious bias in varied degrees and enable designs for varied degrees of robustness. Its effectiveness is demonstrated through experiments on ten few-shot learning methods across three datasets. We hope our framework can inspire new designs of robust few-shot classifiers. Our code is available at https://github.com/gtzheng/FewSTAB.

cs.CV↗

arXiv2024

CoLiDR: Concept Learning using Aggregated Disentangled Representations

Interpretability of Deep Neural Networks using concept-based models offers a promising way to explain model behavior through human-understandable concepts. A parallel line of research focuses on disentangling the data distribution into its underlying generative factors, in turn explaining the data generation process. While both directions have received extensive attention, little work has been done on explaining concepts in terms of generative factors to unify mathematically disentangled representations and human-understandable concepts as an explanation for downstream tasks. In this paper, we propose a novel method CoLiDR - which utilizes a disentangled representation learning setup for learning mutually independent generative factors and subsequently learns to aggregate the said representations into human-understandable concepts using a novel aggregation/decomposition module. Experiments are conducted on datasets with both known and unknown latent generative factors. Our method successfully aggregates disentangled generative factors into concepts while maintaining parity with state-of-the-art concept-based approaches. Quantitative and visual analysis of the learned aggregation procedure demonstrates the advantages of our work compared to commonly used concept-based models over four challenging datasets. Lastly, our work is generalizable to an arbitrary number of concepts and generative factors - making it flexible enough to be suitable for various types of data.

cs.LG↗

arXiv2024

MedCalc-Bench: Evaluating Large Language Models for Medical Calculations

As opposed to evaluating computation and logic-based reasoning, current benchmarks for evaluating large language models (LLMs) in medicine are primarily focused on question-answering involving domain knowledge and descriptive reasoning. While such qualitative capabilities are vital to medical diagnosis, in real-world scenarios, doctors frequently use clinical calculators that follow quantitative equations and rule-based reasoning paradigms for evidence-based decision support. To this end, we propose MedCalc-Bench, a first-of-its-kind dataset focused on evaluating the medical calculation capability of LLMs. MedCalc-Bench contains an evaluation set of over 1000 manually reviewed instances from 55 different medical calculation tasks. Each instance in MedCalc-Bench consists of a patient note, a question requesting to compute a specific medical value, a ground truth answer, and a step-by-step explanation showing how the answer is obtained. While our evaluation results show the potential of LLMs in this area, none of them are effective enough for clinical settings. Common issues include extracting the incorrect entities, not using the correct equation or rules for a calculation task, or incorrectly performing the arithmetic for the computation. We hope our study highlights the quantitative knowledge and reasoning gaps in LLMs within medical settings, encouraging future improvements of LLMs for various clinical calculation tasks.

cs.CL↗