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Jiahuan Yan

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7 papers
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7

ICLR Conference 2025 Conference Paper

Small Models are LLM Knowledge Triggers for Medical Tabular Prediction

  • Jiahuan Yan
  • Jintai Chen
  • Chaowen Hu
  • Bo Zheng 0011
  • Yaojun Hu
  • Jimeng Sun 0001
  • Jian Wu 0001

Recent development in large language models (LLMs) has demonstrated impressive domain proficiency on unstructured textual or multi-modal tasks. However, despite with intrinsic world knowledge, their application on structured tabular data prediction still lags behind, primarily due to the numerical insensitivity and modality discrepancy that brings a gap between LLM reasoning and statistical tabular learning. Unlike textual or vision data (e.g., electronic clinical notes or medical imaging data), tabular data is often presented in heterogeneous numerical values (e.g., CBC reports). This ubiquitous data format requires intensive expert annotation, and its numerical nature limits LLMs' capability to effectively transfer untapped domain expertise. In this paper, we propose SERSAL, a general self-prompting method by synergy learning with small models to enhance LLM tabular prediction in an unsupervised manner. Specifically, SERSAL utilizes the LLM's prior outcomes as original soft noisy annotations, which are dynamically leveraged to teach a better small student model. Reversely, the outcomes from the trained small model are used to teach the LLM to further refine its real capability. This process can be repeatedly applied to gradually distill refined knowledge for continuous progress. Comprehensive experiments on widely used medical domain tabular datasets show that, without access to gold labels, applying SERSAL to OpenAI GPT reasoning process attains substantial improvement compared to linguistic prompting methods, which serves as an orthogonal direction for tabular LLM, and increasing prompting bonus is observed as more powerful LLMs appear. Codes are available at https://github.com/jyansir/sersal.

NeurIPS Conference 2024 Conference Paper

Bridge-IF: Learning Inverse Protein Folding with Markov Bridges

  • Yiheng Zhu
  • Jialu Wu
  • Qiuyi Li
  • Jiahuan Yan
  • Mingze Yin
  • Wei Wu
  • Mingyang Li
  • Jieping Ye

Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the development of machine learning algorithms for this task has seen significant success, the prevailing approaches, which predominantly employ a discriminative formulation, frequently encounter the error accumulation issue and often fail to capture the extensive variety of plausible sequences. To fill these gaps, we propose Bridge-IF, a generative diffusion bridge model for inverse folding, which is designed to learn the probabilistic dependency between the distributions of backbone structures and protein sequences. Specifically, we harness an expressive structure encoder to propose a discrete, informative prior derived from structures, and establish a Markov bridge to connect this prior with native sequences. During the inference stage, Bridge-IF progressively refines the prior sequence, culminating in a more plausible design. Moreover, we introduce a reparameterization perspective on Markov bridge models, from which we derive a simplified loss function that facilitates more effective training. We also modulate protein language models (PLMs) with structural conditions to precisely approximate the Markov bridge process, thereby significantly enhancing generation performance while maintaining parameter-efficient training. Extensive experiments on well-established benchmarks demonstrate that Bridge-IF predominantly surpasses existing baselines in sequence recovery and excels in the design of plausible proteins with high foldability. The code is available at https: //github. com/violet-sto/Bridge-IF.

ICLR Conference 2024 Conference Paper

Making Pre-trained Language Models Great on Tabular Prediction

  • Jiahuan Yan
  • Bo Zheng 0011
  • Hongxia Xu
  • Yiheng Zhu 0002
  • Danny Z. Chen
  • Jimeng Sun 0001
  • Jian Wu 0001
  • Jintai Chen

The transferability of deep neural networks (DNNs) has made significant progress in image and language processing. However, due to the heterogeneity among tables, such DNN bonus is still far from being well exploited on tabular data prediction (e.g., regression or classification tasks). Condensing knowledge from diverse domains, language models (LMs) possess the capability to comprehend feature names from various tables, potentially serving as versatile learners in transferring knowledge across distinct tables and diverse prediction tasks, but their discrete text representation space is inherently incompatible with numerical feature values in tables. In this paper, we present TP-BERTa, a specifically pre-trained LM for tabular data prediction. Concretely, a novel relative magnitude tokenization converts scalar numerical feature values to finely discrete, high-dimensional tokens, and an intra-feature attention approach integrates feature values with the corresponding feature names. Comprehensive experiments demonstrate that our pre-trained TP-BERTa leads the performance among tabular DNNs and is competitive with Gradient Boosted Decision Tree models in typical tabular data regime.

IJCAI Conference 2024 Conference Paper

Personalized Heart Disease Detection via ECG Digital Twin Generation

  • Yaojun Hu
  • Jintai Chen
  • Lianting Hu
  • Dantong Li
  • Jiahuan Yan
  • Haochao Ying
  • Huiying Liang
  • Jian Wu

Heart diseases rank among the leading causes of global mortality, demonstrating a crucial need for early diagnosis and intervention. Most traditional electrocardiogram (ECG) based automated diagnosis methods are trained at population level, neglecting the customization of personalized ECGs to enhance individual healthcare management. A potential solution to address this limitation is to employ digital twins to simulate symptoms of diseases in real patients. In this paper, we present an innovative prospective learning approach for personalized heart disease detection, which generates digital twins of healthy individuals' anomalous ECGs and enhances the model sensitivity to the personalized symptoms. In our approach, a vector quantized feature separator is proposed to locate and isolate the disease symptom and normal segments in ECG signals with ECG report guidance. Thus, the ECG digital twins can simulate specific heart diseases used to train a personalized heart disease detection model. Experiments demonstrate that our approach not only excels in generating high-fidelity ECG signals but also improves personalized heart disease detection. Moreover, our approach ensures robust privacy protection, safeguarding patient data in model development. The code can be found at https: //github. com/huyjj/LAVQ-Editor.

JBHI Journal 2024 Journal Article

Polygonal Approximation Learning for Convex Object Segmentation in Biomedical Images With Bounding Box Supervision

  • Wenhao Zheng
  • Jintai Chen
  • Kai Zhang
  • Jiahuan Yan
  • Jinhong Wang
  • Yi Cheng
  • Bang Du
  • Danny Z. Chen

As a common and critical medical image analysis task, deep learning based biomedical image segmentation is hindered by the dependence on costly fine-grained annotations. To alleviate this data dependence, in this article, a novel approach, called Polygonal Approximation Learning (PAL), is proposed for convex object instance segmentation with only bounding-box supervision. The key idea behind PAL is that the detection model for convex objects already contains the necessary information for segmenting them since their convex hulls, which can be generated approximately by the intersection of bounding boxes, are equivalent to the masks representing the objects. To extract the essential information from the detection model, a repeated detection approach is employed on biomedical images where various rotation angles are applied and a dice loss with the projection of the rotated detection results is utilized as a supervised signal in training our segmentation model. In biomedical imaging tasks involving convex objects, such as nuclei instance segmentation, PAL outperforms the known models (e. g. , BoxInst) that rely solely on box supervision. Furthermore, PAL achieves comparable performance with mask-supervised models including Mask R-CNN and Cascade Mask R-CNN. Interestingly, PAL also demonstrates remarkable performance on non-convex object instance segmentation tasks, for example, surgical instrument and organ instance segmentation.

NeurIPS Conference 2023 Conference Paper

Sample-efficient Multi-objective Molecular Optimization with GFlowNets

  • Yiheng Zhu
  • Jialu Wu
  • Chaowen Hu
  • Jiahuan Yan
  • kim hsieh
  • Tingjun Hou
  • Jian Wu

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and costly evaluations (e. g. , wet-lab experiments) make the diversity of candidates paramount. Computational methods have achieved initial success but still struggle with considering diversity in both objective and search space. To fill this gap, we propose a multi-objective Bayesian optimization (MOBO) algorithm leveraging the hypernetwork-based GFlowNets (HN-GFN) as an acquisition function optimizer, with the purpose of sampling a diverse batch of candidate molecular graphs from an approximate Pareto front. Using a single preference-conditioned hypernetwork, HN-GFN learns to explore various trade-offs between objectives. We further propose a hindsight-like off-policy strategy to share high-performing molecules among different preferences in order to speed up learning for HN-GFN. We empirically illustrate that HN-GFN has adequate capacity to generalize over preferences. Moreover, experiments in various real-world MOBO settings demonstrate that our framework predominantly outperforms existing methods in terms of candidate quality and sample efficiency. The code is available at https: //github. com/violet-sto/HN-GFN.

AAAI Conference 2023 Conference Paper

T2G-FORMER: Organizing Tabular Features into Relation Graphs Promotes Heterogeneous Feature Interaction

  • Jiahuan Yan
  • Jintai Chen
  • Yixuan Wu
  • Danny Z. Chen
  • Jian Wu

Recent development of deep neural networks (DNNs) for tabular learning has largely benefited from the capability of DNNs for automatic feature interaction. However, the heterogeneity nature of tabular features makes such features relatively independent, and developing effective methods to promote tabular feature interaction still remains an open problem. In this paper, we propose a novel Graph Estimator, which automatically estimates the relations among tabular features and builds graphs by assigning edges between related features. Such relation graphs organize independent tabular features into a kind of graph data such that interaction of nodes (tabular features) can be conducted in an orderly fashion. Based on our proposed Graph Estimator, we present a bespoke Transformer network tailored for tabular learning, called T2G-Former, which processes tabular data by performing tabular feature interaction guided by the relation graphs. A specific Cross-level Readout collects salient features predicted by the layers in T2G-Former across different levels, and attains global semantics for final prediction. Comprehensive experiments show that our T2G-Former achieves superior performance among DNNs and is competitive with non-deep Gradient Boosted Decision Tree models. The code and detailed results are available at https://github.com/jyansir/t2g-former.

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