Liwei Wang

Xin Lai, Zhuotao Tian, Xiaogang Xu et al.

Unsupervised domain adaptation in semantic segmentation has been raised to alleviate the reliance on expensive pixel-wise annotations. It leverages a labeled source domain dataset as well as unlabeled target domain images to learn a segmentation network. In this paper, we observe two main issues of the existing domain-invariant learning framework. (1) Being distracted by the feature distribution alignment, the network cannot focus on the segmentation task. (2) Fitting source domain data well would compromise the target domain performance. To address these issues, we propose DecoupleNet that alleviates source domain overfitting and enables the final model to focus more on the segmentation task. Furthermore, we put forward Self-Discrimination (SD) and introduce an auxiliary classifier to learn more discriminative target domain features with pseudo labels. Finally, we propose Online Enhanced Self-Training (OEST) to contextually enhance the quality of pseudo labels in an online manner. Experiments show our method outperforms existing state-of-the-art methods, and extensive ablation studies verify the effectiveness of each component. Code is available at https://github.com/dvlab-research/DecoupleNet.

Binghui Li, Jikai Jin, Han Zhong et al. · stanford

It is well-known that modern neural networks are vulnerable to adversarial examples. To mitigate this problem, a series of robust learning algorithms have been proposed. However, although the robust training error can be near zero via some methods, all existing algorithms lead to a high robust generalization error. In this paper, we provide a theoretical understanding of this puzzling phenomenon from the perspective of expressive power for deep neural networks. Specifically, for binary classification problems with well-separated data, we show that, for ReLU networks, while mild over-parameterization is sufficient for high robust training accuracy, there exists a constant robust generalization gap unless the size of the neural network is exponential in the data dimension $d$. This result holds even if the data is linear separable (which means achieving standard generalization is easy), and more generally for any parameterized function classes as long as their VC dimension is at most polynomial in the number of parameters. Moreover, we establish an improved upper bound of $\exp({\mathcal{O}}(k))$ for the network size to achieve low robust generalization error when the data lies on a manifold with intrinsic dimension $k$ ($k \ll d$). Nonetheless, we also have a lower bound that grows exponentially with respect to $k$ -- the curse of dimensionality is inevitable. By demonstrating an exponential separation between the network size for achieving low robust training and generalization error, our results reveal that the hardness of robust generalization may stem from the expressive power of practical models.

Bohang Zhang, Du Jiang, Di He et al.

Designing neural networks with bounded Lipschitz constant is a promising way to obtain certifiably robust classifiers against adversarial examples. However, the relevant progress for the important $\ell_\infty$ perturbation setting is rather limited, and a principled understanding of how to design expressive $\ell_\infty$ Lipschitz networks is still lacking. In this paper, we bridge the gap by studying certified $\ell_\infty$ robustness from a novel perspective of representing Boolean functions. We derive two fundamental impossibility results that hold for any standard Lipschitz network: one for robust classification on finite datasets, and the other for Lipschitz function approximation. These results identify that networks built upon norm-bounded affine layers and Lipschitz activations intrinsically lose expressive power even in the two-dimensional case, and shed light on how recently proposed Lipschitz networks (e.g., GroupSort and $\ell_\infty$-distance nets) bypass these impossibilities by leveraging order statistic functions. Finally, based on these insights, we develop a unified Lipschitz network that generalizes prior works, and design a practical version that can be efficiently trained (making certified robust training free). Extensive experiments show that our approach is scalable, efficient, and consistently yields better certified robustness across multiple datasets and perturbation radii than prior Lipschitz networks. Our code is available at https://github.com/zbh2047/SortNet.

Chuwei Wang, Shanda Li, Di He et al.

The Physics-Informed Neural Network (PINN) approach is a new and promising way to solve partial differential equations using deep learning. The $L^2$ Physics-Informed Loss is the de-facto standard in training Physics-Informed Neural Networks. In this paper, we challenge this common practice by investigating the relationship between the loss function and the approximation quality of the learned solution. In particular, we leverage the concept of stability in the literature of partial differential equation to study the asymptotic behavior of the learned solution as the loss approaches zero. With this concept, we study an important class of high-dimensional non-linear PDEs in optimal control, the Hamilton-Jacobi-Bellman(HJB) Equation, and prove that for general $L^p$ Physics-Informed Loss, a wide class of HJB equation is stable only if $p$ is sufficiently large. Therefore, the commonly used $L^2$ loss is not suitable for training PINN on those equations, while $L^{\infty}$ loss is a better choice. Based on the theoretical insight, we develop a novel PINN training algorithm to minimize the $L^{\infty}$ loss for HJB equations which is in a similar spirit to adversarial training. The effectiveness of the proposed algorithm is empirically demonstrated through experiments. Our code is released at https://github.com/LithiumDA/L_inf-PINN.

Bohang Zhang, Guhao Feng, Yiheng Du et al. · pku

Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design paradigms differ in terms of expressive power, nor is it clear what design principle achieves maximal expressiveness with minimal architectural complexity. To address these fundamental questions, this paper conducts a systematic study of general node-based subgraph GNNs through the lens of Subgraph Weisfeiler-Lehman Tests (SWL). Our central result is to build a complete hierarchy of SWL with strictly growing expressivity. Concretely, we prove that any node-based subgraph GNN falls into one of the six SWL equivalence classes, among which $\mathsf{SSWL}$ achieves the maximal expressive power. We also study how these equivalence classes differ in terms of their practical expressiveness such as encoding graph distance and biconnectivity. Furthermore, we give a tight expressivity upper bound of all SWL algorithms by establishing a close relation with localized versions of WL and Folklore WL (FWL) tests. Our results provide insights into the power of existing subgraph GNNs, guide the design of new architectures, and point out their limitations by revealing an inherent gap with the 2-FWL test. Finally, experiments demonstrate that $\mathsf{SSWL}$-inspired subgraph GNNs can significantly outperform prior architectures on multiple benchmarks despite great simplicity.

Wei Xiong, Han Zhong, Chengshuai Shi et al.

Offline reinforcement learning (RL) aims at learning an optimal strategy using a pre-collected dataset without further interactions with the environment. While various algorithms have been proposed for offline RL in the previous literature, the minimax optimality has only been (nearly) established for tabular Markov decision processes (MDPs). In this paper, we focus on offline RL with linear function approximation and propose a new pessimism-based algorithm for offline linear MDP. At the core of our algorithm is the uncertainty decomposition via a reference function, which is new in the literature of offline RL under linear function approximation. Theoretical analysis demonstrates that our algorithm can match the performance lower bound up to logarithmic factors. We also extend our techniques to the two-player zero-sum Markov games (MGs), and establish a new performance lower bound for MGs, which tightens the existing result, and verifies the nearly minimax optimality of the proposed algorithm. To the best of our knowledge, these are the first computationally efficient and nearly minimax optimal algorithms for offline single-agent MDPs and MGs with linear function approximation.

Bohang Zhang, Shengjie Luo, Liwei Wang et al.

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a lack of deep understanding of what additional power they can systematically and provably gain. In this paper, we take a fundamentally different perspective to study the expressive power of GNNs beyond the WL test. Specifically, we introduce a novel class of expressivity metrics via graph biconnectivity and highlight their importance in both theory and practice. As biconnectivity can be easily calculated using simple algorithms that have linear computational costs, it is natural to expect that popular GNNs can learn it easily as well. However, after a thorough review of prior GNN architectures, we surprisingly find that most of them are not expressive for any of these metrics. The only exception is the ESAN framework, for which we give a theoretical justification of its power. We proceed to introduce a principled and more efficient approach, called the Generalized Distance Weisfeiler-Lehman (GD-WL), which is provably expressive for all biconnectivity metrics. Practically, we show GD-WL can be implemented by a Transformer-like architecture that preserves expressiveness and enjoys full parallelizability. A set of experiments on both synthetic and real datasets demonstrates that our approach can consistently outperform prior GNN architectures.

Xiaoyu Chen, Han Zhong, Zhuoran Yang et al.

We study human-in-the-loop reinforcement learning (RL) with trajectory preferences, where instead of receiving a numeric reward at each step, the agent only receives preferences over trajectory pairs from a human overseer. The goal of the agent is to learn the optimal policy which is most preferred by the human overseer. Despite the empirical successes, the theoretical understanding of preference-based RL (PbRL) is only limited to the tabular case. In this paper, we propose the first optimistic model-based algorithm for PbRL with general function approximation, which estimates the model using value-targeted regression and calculates the exploratory policies by solving an optimistic planning problem. Our algorithm achieves the regret of $\tilde{O} (\operatorname{poly}(d H) \sqrt{K} )$, where $d$ is the complexity measure of the transition and preference model depending on the Eluder dimension and log-covering numbers, $H$ is the planning horizon, $K$ is the number of episodes, and $\tilde O(\cdot)$ omits logarithmic terms. Our lower bound indicates that our algorithm is near-optimal when specialized to the linear setting. Furthermore, we extend the PbRL problem by formulating a novel problem called RL with $n$-wise comparisons, and provide the first sample-efficient algorithm for this new setting. To the best of our knowledge, this is the first theoretical result for PbRL with (general) function approximation.

Han Zhong, Wei Xiong, Sirui Zheng et al.

We study sample efficient reinforcement learning (RL) under the general framework of interactive decision making, which includes Markov decision process (MDP), partially observable Markov decision process (POMDP), and predictive state representation (PSR) as special cases. Toward finding the minimum assumption that empowers sample efficient learning, we propose a novel complexity measure, generalized eluder coefficient (GEC), which characterizes the fundamental tradeoff between exploration and exploitation in online interactive decision making. In specific, GEC captures the hardness of exploration by comparing the error of predicting the performance of the updated policy with the in-sample training error evaluated on the historical data. We show that RL problems with low GEC form a remarkably rich class, which subsumes low Bellman eluder dimension problems, bilinear class, low witness rank problems, PO-bilinear class, and generalized regular PSR, where generalized regular PSR, a new tractable PSR class identified by us, includes nearly all known tractable POMDPs and PSRs. Furthermore, in terms of algorithm design, we propose a generic posterior sampling algorithm, which can be implemented in both model-free and model-based fashion, under both fully observable and partially observable settings. The proposed algorithm modifies the standard posterior sampling algorithm in two aspects: (i) we use an optimistic prior distribution that biases towards hypotheses with higher values and (ii) a loglikelihood function is set to be the empirical loss evaluated on the historical data, where the choice of loss function supports both model-free and model-based learning. We prove that the proposed algorithm is sample efficient by establishing a sublinear regret upper bound in terms of GEC. In summary, we provide a new and unified understanding of both fully observable and partially observable RL.

Yanyang Li, Jianqiao Zhao, Duo Zheng et al.

With the continuous emergence of Chinese Large Language Models (LLMs), how to evaluate a model's capabilities has become an increasingly significant issue. The absence of a comprehensive Chinese benchmark that thoroughly assesses a model's performance, the unstandardized and incomparable prompting procedure, and the prevalent risk of contamination pose major challenges in the current evaluation of Chinese LLMs. We present CLEVA, a user-friendly platform crafted to holistically evaluate Chinese LLMs. Our platform employs a standardized workflow to assess LLMs' performance across various dimensions, regularly updating a competitive leaderboard. To alleviate contamination, CLEVA curates a significant proportion of new data and develops a sampling strategy that guarantees a unique subset for each leaderboard round. Empowered by an easy-to-use interface that requires just a few mouse clicks and a model API, users can conduct a thorough evaluation with minimal coding. Large-scale experiments featuring 23 Chinese LLMs have validated CLEVA's efficacy.

Pengyun Yue, Hanzhen Zhao, Cong Fang et al.

With distributed machine learning being a prominent technique for large-scale machine learning tasks, communication complexity has become a major bottleneck for speeding up training and scaling up machine numbers. In this paper, we propose a new technique named Common randOm REconstruction(CORE), which can be used to compress the information transmitted between machines in order to reduce communication complexity without other strict conditions. Especially, our technique CORE projects the vector-valued information to a low-dimensional one through common random vectors and reconstructs the information with the same random noises after communication. We apply CORE to two distributed tasks, respectively convex optimization on linear models and generic non-convex optimization, and design new distributed algorithms, which achieve provably lower communication complexities. For example, we show for linear models CORE-based algorithm can encode the gradient vector to $\mathcal{O}(1)$-bits (against $\mathcal{O}(d)$), with the convergence rate not worse, preceding the existing results.

AnLan Sun, Zhao Zhang, Meng Lei et al. · pku

Breast ultrasound videos contain richer information than ultrasound images, therefore it is more meaningful to develop video models for this diagnosis task. However, the collection of ultrasound video datasets is much harder. In this paper, we explore the feasibility of enhancing the performance of ultrasound video classification using the static image dataset. To this end, we propose KGA-Net and coherence loss. The KGA-Net adopts both video clips and static images to train the network. The coherence loss uses the feature centers generated by the static images to guide the frame attention in the video model. Our KGA-Net boosts the performance on the public BUSV dataset by a large margin. The visualization results of frame attention prove the explainability of our method. The codes and model weights of our method will be made publicly available.

Sicheng Zhou, Nan Wang, Liwei Wang et al.

Objective: The generalizability of clinical large language models is usually ignored during the model development process. This study evaluated the generalizability of BERT-based clinical NLP models across different clinical settings through a breast cancer phenotype extraction task. Materials and Methods: Two clinical corpora of breast cancer patients were collected from the electronic health records from the University of Minnesota and the Mayo Clinic, and annotated following the same guideline. We developed three types of NLP models (i.e., conditional random field, bi-directional long short-term memory and CancerBERT) to extract cancer phenotypes from clinical texts. The models were evaluated for their generalizability on different test sets with different learning strategies (model transfer vs. locally trained). The entity coverage score was assessed with their association with the model performances. Results: We manually annotated 200 and 161 clinical documents at UMN and MC, respectively. The corpora of the two institutes were found to have higher similarity between the target entities than the overall corpora. The CancerBERT models obtained the best performances among the independent test sets from two clinical institutes and the permutation test set. The CancerBERT model developed in one institute and further fine-tuned in another institute achieved reasonable performance compared to the model developed on local data (micro-F1: 0.925 vs 0.932). Conclusions: The results indicate the CancerBERT model has the best learning ability and generalizability among the three types of clinical NLP models. The generalizability of the models was found to be correlated with the similarity of the target entities between the corpora.

Yanyang Li, Fuli Luo, Runxin Xu et al.

Structured pruning has been extensively studied on monolingual pre-trained language models and is yet to be fully evaluated on their multilingual counterparts. This work investigates three aspects of structured pruning on multilingual pre-trained language models: settings, algorithms, and efficiency. Experiments on nine downstream tasks show several counter-intuitive phenomena: for settings, individually pruning for each language does not induce a better result; for algorithms, the simplest method performs the best; for efficiency, a fast model does not imply that it is also small. To facilitate the comparison on all sparsity levels, we present Dynamic Sparsification, a simple approach that allows training the model once and adapting to different model sizes at inference. We hope this work fills the gap in the study of structured pruning on multilingual pre-trained models and sheds light on future research.

Yanyang Li, Jianqiao Zhao, Michael R. Lyu et al.

Recent advances in large-scale pre-training provide large models with the potential to learn knowledge from the raw text. It is thus natural to ask whether it is possible to leverage these large models as knowledge bases for downstream tasks. In this work, we answer the aforementioned question in unsupervised knowledge-grounded conversation. We explore various methods that best elicit knowledge from large models. Our human study indicates that, though hallucinations exist, large models post the unique advantage of being able to output common sense and summarize facts that cannot be directly retrieved from the search engine. To better exploit such generated knowledge in dialogue generation, we treat the generated knowledge as a noisy knowledge source and propose the posterior-based reweighing as well as the noisy training strategy. Empirical results on two benchmarks show advantages over the state-of-the-art methods.

Xiaoyang Ruan, Liwei Wang, Michelle Mai et al.

Real-time individual endpoint prediction has always been a challenging task but of great clinic utility for both patients and healthcare providers. With 6,879 chronic kidney disease stage 4 (CKD4) patients as a use case, we explored the feasibility and performance of gated recurrent units with decay that models Weibull probability density function (GRU-D-Weibull) as a semi-parametric longitudinal model for real-time individual endpoint prediction. GRU-D-Weibull has a maximum C-index of 0.77 at 4.3 years of follow-up, compared to 0.68 achieved by competing models. The L1-loss of GRU-D-Weibull is ~66% of XGB(AFT), ~60% of MTLR, and ~30% of AFT model at CKD4 index date. The average absolute L1-loss of GRU-D-Weibull is around one year, with a minimum of 40% Parkes serious error after index date. GRU-D-Weibull is not calibrated and significantly underestimates true survival probability. Feature importance tests indicate blood pressure becomes increasingly important during follow-up, while eGFR and blood albumin are less important. Most continuous features have non-linear/parabola impact on predicted survival time, and the results are generally consistent with existing knowledge. GRU-D-Weibull as a semi-parametric temporal model shows advantages in built-in parameterization of missing, native support for asynchronously arrived measurement, capability of output both probability and point estimates at arbitrary time point for arbitrary prediction horizon, improved discrimination and point estimate accuracy after incorporating newly arrived data. Further research on its performance with more comprehensive input features, in-process or post-process calibration are warranted to benefit CKD4 or alike terminally-ill patients.

Shijia Huang, Feng Li, Hao Zhang et al.

Reference Expression Segmentation (RES) and Reference Expression Generation (REG) are mutually inverse tasks that can be naturally jointly trained. Though recent work has explored such joint training, the mechanism of how RES and REG can benefit each other is still unclear. In this paper, we propose a unified mutual supervision framework that enables two tasks to improve each other. Our mutual supervision contains two directions. On the one hand, Disambiguation Supervision leverages the expression unambiguity measurement provided by RES to enhance the language generation of REG. On the other hand, Generation Supervision uses expressions automatically generated by REG to scale up the training of RES. Such unified mutual supervision effectively improves two tasks by solving their bottleneck problems. Extensive experiments show that our approach significantly outperforms all existing methods on REG and RES tasks under the same setting, and detailed ablation studies demonstrate the effectiveness of all components in our framework.

Yi-Ping Chen, Liwei Wang, Yigitcan Comlek et al.

Multi-fidelity (MF) methods are gaining popularity for enhancing surrogate modeling and design optimization by incorporating data from various low-fidelity (LF) models. While most existing MF methods assume a fixed dataset, adaptive sampling methods that dynamically allocate resources among fidelity models can achieve higher efficiency in the exploring and exploiting the design space. However, most existing MF methods rely on the hierarchical assumption of fidelity levels or fail to capture the intercorrelation between multiple fidelity levels and utilize it to quantify the value of the future samples and navigate the adaptive sampling. To address this hurdle, we propose a framework hinged on a latent embedding for different fidelity models and the associated pre-posterior analysis to explicitly utilize their correlation for adaptive sampling. In this framework, each infill sampling iteration includes two steps: We first identify the location of interest with the greatest potential improvement using the high-fidelity (HF) model, then we search for the next sample across all fidelity levels that maximize the improvement per unit cost at the location identified in the first step. This is made possible by a single Latent Variable Gaussian Process (LVGP) model that maps different fidelity models into an interpretable latent space to capture their correlations without assuming hierarchical fidelity levels. The LVGP enables us to assess how LF sampling candidates will affect HF response with pre-posterior analysis and determine the next sample with the best benefit-to-cost ratio. Through test cases, we demonstrate that the proposed method outperforms the benchmark methods in both MF global fitting (GF) and Bayesian Optimization (BO) problems in convergence rate and robustness. Moreover, the method offers the flexibility to switch between GF and BO by simply changing the acquisition function.

Han Zhong, Jiachen Hu, Yecheng Xue et al.

While quantum reinforcement learning (RL) has attracted a surge of attention recently, its theoretical understanding is limited. In particular, it remains elusive how to design provably efficient quantum RL algorithms that can address the exploration-exploitation trade-off. To this end, we propose a novel UCRL-style algorithm that takes advantage of quantum computing for tabular Markov decision processes (MDPs) with $S$ states, $A$ actions, and horizon $H$, and establish an $\mathcal{O}(\mathrm{poly}(S, A, H, \log T))$ worst-case regret for it, where $T$ is the number of episodes. Furthermore, we extend our results to quantum RL with linear function approximation, which is capable of handling problems with large state spaces. Specifically, we develop a quantum algorithm based on value target regression (VTR) for linear mixture MDPs with $d$-dimensional linear representation and prove that it enjoys $\mathcal{O}(\mathrm{poly}(d, H, \log T))$ regret. Our algorithms are variants of UCRL/UCRL-VTR algorithms in classical RL, which also leverage a novel combination of lazy updating mechanisms and quantum estimation subroutines. This is the key to breaking the $Ω(\sqrt{T})$-regret barrier in classical RL. To the best of our knowledge, this is the first work studying the online exploration in quantum RL with provable logarithmic worst-case regret.

Ziwei Zhao, Dong Wang, Yihong Chen et al.

Detecting mass in mammogram is significant due to the high occurrence and mortality of breast cancer. In mammogram mass detection, modeling pairwise lesion correspondence explicitly is particularly important. However, most of the existing methods build relatively coarse correspondence and have not utilized correspondence supervision. In this paper, we propose a new transformer-based framework CL-Net to learn lesion detection and pairwise correspondence in an end-to-end manner. In CL-Net, View-Interactive Lesion Detector is proposed to achieve dynamic interaction across candidates of cross views, while Lesion Linker employs the correspondence supervision to guide the interaction process more accurately. The combination of these two designs accomplishes precise understanding of pairwise lesion correspondence for mammograms. Experiments show that CL-Net yields state-of-the-art performance on the public DDSM dataset and our in-house dataset. Moreover, it outperforms previous methods by a large margin in low FPI regime.

Han Zhong, Zikang Shan, Guhao Feng et al. · pku

In the classical Reinforcement Learning from Human Feedback (RLHF) framework, Proximal Policy Optimization (PPO) is employed to learn from sparse, sentence-level rewards -- a challenging scenario in traditional deep reinforcement learning. Despite the great successes of PPO in the alignment of large language models, its open-source implementation is still largely sub-optimal. To address these issues, we introduce a framework that models RLHF problems as a Markov decision process (MDP), enabling the capture of fine-grained token-wise information. Under this framework, we introduce an algorithm Reinforced Token Optimization (\texttt{RTO}), which learns the token-wise reward function from preference data and performs policy optimization based on this learned token-wise reward signal. Theoretically, \texttt{RTO} is proven to have the capability of finding the near-optimal policy sample-efficiently. For its practical implementation, \texttt{RTO} innovatively integrates Direct Preference Optimization (DPO) and PPO. DPO, originally derived from sparse sentence rewards, surprisingly provides us with a token-wise characterization of response quality, which is seamlessly incorporated into our subsequent PPO training stage. Extensive experiments demonstrate that \texttt{RTO} performs better than PPO and other direct preference learning algorithms. In particular, RTO outperforms PPO by 7.5 points on the AlpacaEval 2 benchmark and by 4.1 points on Arena-Hard. Our code and models are available at \href{https://github.com/zkshan2002/RTO}{https://github.com/zkshan2002/RTO}.

Wanyu Du, Jianqiao Zhao, Liwei Wang et al.

Generating high quality texts with high diversity is important for many NLG applications, but current methods mostly focus on building deterministic models to generate higher quality texts and do not provide many options for promoting diversity. In this work, we present a novel latent structured variable model to generate high quality texts by enriching contextual representation learning of encoder-decoder models. Specifically, we introduce a stochastic function to map deterministic encoder hidden states into random context variables. The proposed stochastic function is sampled from a Gaussian process prior to (1) provide infinite number of joint Gaussian distributions of random context variables (diversity-promoting) and (2) explicitly model dependency between context variables (accurate-encoding). To address the learning challenge of Gaussian processes, we propose an efficient variational inference approach to approximate the posterior distribution of random context variables. We evaluate our method in two typical text generation tasks: paraphrase generation and text style transfer. Experimental results on benchmark datasets demonstrate that our method improves the generation quality and diversity compared with other baselines.

Haojun Yu, Youcheng Li, Nan Zhang et al.

Data-driven deep learning models have shown great capabilities to assist radiologists in breast ultrasound (US) diagnoses. However, their effectiveness is limited by the long-tail distribution of training data, which leads to inaccuracies in rare cases. In this study, we address a long-standing challenge of improving the diagnostic model performance on rare cases using long-tailed data. Specifically, we introduce a pipeline, TAILOR, that builds a knowledge-driven generative model to produce tailored synthetic data. The generative model, using 3,749 lesions as source data, can generate millions of breast-US images, especially for error-prone rare cases. The generated data can be further used to build a diagnostic model for accurate and interpretable diagnoses. In the prospective external evaluation, our diagnostic model outperforms the average performance of nine radiologists by 33.5% in specificity with the same sensitivity, improving their performance by providing predictions with an interpretable decision-making process. Moreover, on ductal carcinoma in situ (DCIS), our diagnostic model outperforms all radiologists by a large margin, with only 34 DCIS lesions in the source data. We believe that TAILOR can potentially be extended to various diseases and imaging modalities.

Yiwu Zhong, Zi-Yuan Hu, Michael R. Lyu et al.

Visual representation learning has been a cornerstone in computer vision, involving typical forms such as visual embeddings, structural symbols, and text-based representations. Despite the success of CLIP-type visual embeddings, they often lack access to world knowledge critical for visual reasoning. In this work, we propose Visual Table, a novel form of visual representation tailored for visual reasoning. Visual tables are constructed as hierarchical descriptions of visual scenes, featuring a scene description and multiple object-centric descriptions covering categories, attributes, and knowledge. Thanks to the structural and textual formats, visual tables offer unique advantages over mere visual embeddings, such as interpretability and controllable editing. Furthermore, they deliver instance-level world knowledge and detailed attributes that are essential for visual reasoning. To create visual tables, we develop a generator trained on the dataset with collected, small-scale annotations. Extensive results on 11 visual reasoning benchmarks demonstrate that the generated visual tables significantly outperform previous structural and text-based representations. Moreover, they consistently enhance state-of-the-art multimodal large language models across diverse benchmarks, showcasing their potential for advancing visual reasoning tasks. Our code is available at https://github.com/LaVi-Lab/Visual-Table.

Jigang Fan, Quanlin Wu, Shengjie Luo et al.

The detection of ligand binding sites for proteins is a fundamental step in Structure-Based Drug Design. Despite notable advances in recent years, existing methods, datasets, and evaluation metrics are confronted with several key challenges: (1) current datasets and methods are centered on individual protein-ligand complexes and neglect that diverse binding sites may exist across multiple complexes of the same protein, introducing significant statistical bias; (2) ligand binding site detection is typically modeled as a discontinuous workflow, employing binary segmentation and subsequent clustering algorithms; (3) traditional evaluation metrics do not adequately reflect the actual performance of different binding site prediction methods. To address these issues, we first introduce UniSite-DS, the first UniProt (Unique Protein)-centric ligand binding site dataset, which contains 4.81 times more multi-site data and 2.08 times more overall data compared to the previously most widely used datasets. We then propose UniSite, the first end-to-end ligand binding site detection framework supervised by set prediction loss with bijective matching. In addition, we introduce Average Precision based on Intersection over Union (IoU) as a more accurate evaluation metric for ligand binding site prediction. Extensive experiments on UniSite-DS and several representative benchmark datasets demonstrate that IoU-based Average Precision provides a more accurate reflection of prediction quality, and that UniSite outperforms current state-of-the-art methods in ligand binding site detection. The dataset and codes will be made publicly available at https://github.com/quanlin-wu/unisite.

Qiuhao Lu, Rui Li, Andrew Wen et al.

Large Language Models (LLMs) have revolutionized various sectors, including healthcare where they are employed in diverse applications. Their utility is particularly significant in the context of rare diseases, where data scarcity, complexity, and specificity pose considerable challenges. In the clinical domain, Named Entity Recognition (NER) stands out as an essential task and it plays a crucial role in extracting relevant information from clinical texts. Despite the promise of LLMs, current research mostly concentrates on document-level NER, identifying entities in a more general context across entire documents, without extracting their precise location. Additionally, efforts have been directed towards adapting ChatGPT for token-level NER. However, there is a significant research gap when it comes to employing token-level NER for clinical texts, especially with the use of local open-source LLMs. This study aims to bridge this gap by investigating the effectiveness of both proprietary and local LLMs in token-level clinical NER. Essentially, we delve into the capabilities of these models through a series of experiments involving zero-shot prompting, few-shot prompting, retrieval-augmented generation (RAG), and instruction-fine-tuning. Our exploration reveals the inherent challenges LLMs face in token-level NER, particularly in the context of rare diseases, and suggests possible improvements for their application in healthcare. This research contributes to narrowing a significant gap in healthcare informatics and offers insights that could lead to a more refined application of LLMs in the healthcare sector.

Haojun Yu, Youcheng Li, QuanLin Wu et al.

During ultrasonic scanning processes, real-time lesion detection can assist radiologists in accurate cancer diagnosis. However, this essential task remains challenging and underexplored. General-purpose real-time object detection models can mistakenly report obvious false positives (FPs) when applied to ultrasound videos, potentially misleading junior radiologists. One key issue is their failure to utilize negative symptoms in previous frames, denoted as negative temporal contexts (NTC). To address this issue, we propose to extract contexts from previous frames, including NTC, with the guidance of inverse optical flow. By aggregating extracted contexts, we endow the model with the ability to suppress FPs by leveraging NTC. We call the resulting model UltraDet. The proposed UltraDet demonstrates significant improvement over previous state-of-the-arts and achieves real-time inference speed. We release the code, checkpoints, and high-quality labels of the CVA-BUS dataset in https://github.com/HaojunYu1998/UltraDet.

Bohang Zhang, Du Jiang, Di He et al.

Recently, Zhang et al. (2021) developed a new neural network architecture based on $\ell_\infty$-distance functions, which naturally possesses certified $\ell_\infty$ robustness by its construction. Despite the novel design and theoretical foundation, so far the model only achieved comparable performance to conventional networks. In this paper, we make the following two contributions: $\mathrm{(i)}$ We demonstrate that $\ell_\infty$-distance nets enjoy a fundamental advantage in certified robustness over conventional networks (under typical certification approaches); $\mathrm{(ii)}$ With an improved training process we are able to significantly boost the certified accuracy of $\ell_\infty$-distance nets. Our training approach largely alleviates the optimization problem that arose in the previous training scheme, in particular, the unexpected large Lipschitz constant due to the use of a crucial trick called $\ell_p$-relaxation. The core of our training approach is a novel objective function that combines scaled cross-entropy loss and clipped hinge loss with a decaying mixing coefficient. Experiments show that using the proposed training strategy, the certified accuracy of $\ell_\infty$-distance net can be dramatically improved from 33.30% to 40.06% on CIFAR-10 ($ε=8/255$), meanwhile outperforming other approaches in this area by a large margin. Our results clearly demonstrate the effectiveness and potential of $\ell_\infty$-distance net for certified robustness. Codes are available at https://github.com/zbh2047/L_inf-dist-net-v2.

Hanzhe Hu, Fangyun Wei, Han Hu et al.

Due to the limited and even imbalanced data, semi-supervised semantic segmentation tends to have poor performance on some certain categories, e.g., tailed categories in Cityscapes dataset which exhibits a long-tailed label distribution. Existing approaches almost all neglect this problem, and treat categories equally. Some popular approaches such as consistency regularization or pseudo-labeling may even harm the learning of under-performing categories, that the predictions or pseudo labels of these categories could be too inaccurate to guide the learning on the unlabeled data. In this paper, we look into this problem, and propose a novel framework for semi-supervised semantic segmentation, named adaptive equalization learning (AEL). AEL adaptively balances the training of well and badly performed categories, with a confidence bank to dynamically track category-wise performance during training. The confidence bank is leveraged as an indicator to tilt training towards under-performing categories, instantiated in three strategies: 1) adaptive Copy-Paste and CutMix data augmentation approaches which give more chance for under-performing categories to be copied or cut; 2) an adaptive data sampling approach to encourage pixels from under-performing category to be sampled; 3) a simple yet effective re-weighting method to alleviate the training noise raised by pseudo-labeling. Experimentally, AEL outperforms the state-of-the-art methods by a large margin on the Cityscapes and Pascal VOC benchmarks under various data partition protocols. Code is available at https://github.com/hzhupku/SemiSeg-AEL

Yinya Huang, Meng Fang, Yu Cao et al.

Recent QA with logical reasoning questions requires passage-level relations among the sentences. However, current approaches still focus on sentence-level relations interacting among tokens. In this work, we explore aggregating passage-level clues for solving logical reasoning QA by using discourse-based information. We propose a discourse-aware graph network (DAGN) that reasons relying on the discourse structure of the texts. The model encodes discourse information as a graph with elementary discourse units (EDUs) and discourse relations, and learns the discourse-aware features via a graph network for downstream QA tasks. Experiments are conducted on two logical reasoning QA datasets, ReClor and LogiQA, and our proposed DAGN achieves competitive results. The source code is available at https://github.com/Eleanor-H/DAGN.

Shengjie Luo, Kaiyuan Gao, Shuxin Zheng et al.

Transformer has demonstrated its great power to learn contextual word representations for multiple languages in a single model. To process multilingual sentences in the model, a learnable vector is usually assigned to each language, which is called "language embedding". The language embedding can be either added to the word embedding or attached at the beginning of the sentence. It serves as a language-specific signal for the Transformer to capture contextual representations across languages. In this paper, we revisit the use of language embedding and identify several problems in the existing formulations. By investigating the interaction between language embedding and word embedding in the self-attention module, we find that the current methods cannot reflect the language-specific word correlation well. Given these findings, we propose a new approach called Cross-lingual Language Projection (XLP) to replace language embedding. For a sentence, XLP projects the word embeddings into language-specific semantic space, and then the projected embeddings will be fed into the Transformer model to process with their language-specific meanings. In such a way, XLP achieves the purpose of appropriately encoding "language" in a multilingual Transformer model. Experimental results show that XLP can freely and significantly boost the model performance on extensive multilingual benchmark datasets. Codes and models will be released at https://github.com/lsj2408/XLP.

Jiequan Cui, Shu Liu, Liwei Wang et al.

Previous adversarial training raises model robustness under the compromise of accuracy on natural data. In this paper, we reduce natural accuracy degradation. We use the model logits from one clean model to guide learning of another one robust model, taking into consideration that logits from the well trained clean model embed the most discriminative features of natural data, {\it e.g.}, generalizable classifier boundary. Our solution is to constrain logits from the robust model that takes adversarial examples as input and makes it similar to those from the clean model fed with corresponding natural data. It lets the robust model inherit the classifier boundary of the clean model. Moreover, we observe such boundary guidance can not only preserve high natural accuracy but also benefit model robustness, which gives new insights and facilitates progress for the adversarial community. Finally, extensive experiments on CIFAR-10, CIFAR-100, and Tiny ImageNet testify to the effectiveness of our method. We achieve new state-of-the-art robustness on CIFAR-100 without additional real or synthetic data with auto-attack benchmark \footnote{\url{https://github.com/fra31/auto-attack}}. Our code is available at \url{https://github.com/dvlab-research/LBGAT}.

Yiping Lu, Zhuohan Li, Di He et al.

The Transformer architecture is widely used in natural language processing. Despite its success, the design principle of the Transformer remains elusive. In this paper, we provide a novel perspective towards understanding the architecture: we show that the Transformer can be mathematically interpreted as a numerical Ordinary Differential Equation (ODE) solver for a convection-diffusion equation in a multi-particle dynamic system. In particular, how words in a sentence are abstracted into contexts by passing through the layers of the Transformer can be interpreted as approximating multiple particles' movement in the space using the Lie-Trotter splitting scheme and the Euler's method. Given this ODE's perspective, the rich literature of numerical analysis can be brought to guide us in designing effective structures beyond the Transformer. As an example, we propose to replace the Lie-Trotter splitting scheme by the Strang-Marchuk splitting scheme, a scheme that is more commonly used and with much lower local truncation errors. The Strang-Marchuk splitting scheme suggests that the self-attention and position-wise feed-forward network (FFN) sub-layers should not be treated equally. Instead, in each layer, two position-wise FFN sub-layers should be used, and the self-attention sub-layer is placed in between. This leads to a brand new architecture. Such an FFN-attention-FFN layer is "Macaron-like", and thus we call the network with this new architecture the Macaron Net. Through extensive experiments, we show that the Macaron Net is superior to the Transformer on both supervised and unsupervised learning tasks. The reproducible codes and pretrained models can be found at https://github.com/zhuohan123/macaron-net

Yanyang Li, Michael Lyu, Liwei Wang

Solving complex tasks in a single attempt is challenging for large language models (LLMs). Iterative interaction with the environment and feedback is often required to achieve success, making effective feedback utilization a critical topic. Existing approaches either struggle with length generalization or rely on naive retries without leveraging prior information. In this paper, we introduce FTTT, a novel paradigm that formulates feedback utilization as an optimization problem at test time. Additionally, we propose a learnable test-time optimizer, OpTune, to effectively exploit feedback. Experiments on two LLMs across four reasoning datasets demonstrate that FTTT and OpTune achieve superior scalability and performance.

Jingchu Gai, Yiheng Du, Bohang Zhang et al. · nvidia

Graph spectra are an important class of structural features on graphs that have shown promising results in enhancing Graph Neural Networks (GNNs). Despite their widespread practical use, the theoretical understanding of the power of spectral invariants -- particularly their contribution to GNNs -- remains incomplete. In this paper, we address this fundamental question through the lens of homomorphism expressivity, providing a comprehensive and quantitative analysis of the expressive power of spectral invariants. Specifically, we prove that spectral invariant GNNs can homomorphism-count exactly a class of specific tree-like graphs which we refer to as parallel trees. We highlight the significance of this result in various contexts, including establishing a quantitative expressiveness hierarchy across different architectural variants, offering insights into the impact of GNN depth, and understanding the subgraph counting capabilities of spectral invariant GNNs. In particular, our results significantly extend Arvind et al. (2024) and settle their open questions. Finally, we generalize our analysis to higher-order GNNs and answer an open question raised by Zhang et al. (2024).

Zi-Yuan Hu, Shuo Liang, Duo Zheng et al.

Recent advances in video large language models (VideoLLMs) call for new evaluation protocols and benchmarks for complex temporal reasoning in video-language understanding. Inspired by the needle in a haystack test widely used by LLMs, we introduce a novel task of Needle in a Montage (NeMo), designed to assess VideoLLMs' critical reasoning capabilities, including long-context recall and temporal grounding. To generate video question answering data for our task, we develop a scalable automated data generation pipeline that facilitates high-quality data synthesis. Built upon the proposed pipeline, we present NeMoBench, a video-language benchmark centered on our task. Specifically, our full set of NeMoBench features 31,378 automatically generated question-answer (QA) pairs from 13,486 videos with various durations ranging from seconds to hours. Experiments demonstrate that our pipeline can reliably and automatically generate high-quality evaluation data, enabling NeMoBench to be continuously updated with the latest videos. We evaluate 20 state-of-the-art models on our benchmark, providing extensive results and key insights into their capabilities and limitations. Our project page is available at: https://lavi-lab.github.io/NeMoBench.

Yixian Xu, Shengjie Luo, Liwei Wang et al.

Diffusion models have achieved remarkable success in generative modeling. Despite more stable training, the loss of diffusion models is not indicative of absolute data-fitting quality, since its optimal value is typically not zero but unknown, leading to confusion between large optimal loss and insufficient model capacity. In this work, we advocate the need to estimate the optimal loss value for diagnosing and improving diffusion models. We first derive the optimal loss in closed form under a unified formulation of diffusion models, and develop effective estimators for it, including a stochastic variant scalable to large datasets with proper control of variance and bias. With this tool, we unlock the inherent metric for diagnosing the training quality of mainstream diffusion model variants, and develop a more performant training schedule based on the optimal loss. Moreover, using models with 120M to 1.5B parameters, we find that the power law is better demonstrated after subtracting the optimal loss from the actual training loss, suggesting a more principled setting for investigating the scaling law for diffusion models.

Zhao Zhang, Ziwei Zhao, Dong Wang et al.

Accurately restoring topology is both challenging and crucial in tubular structure extraction tasks, such as blood vessel segmentation and road network extraction. Diverging from traditional approaches based on pixel-level classification, our proposed method, named GraphMorph, focuses on branch-level features of tubular structures to achieve more topologically accurate predictions. GraphMorph comprises two main components: a Graph Decoder and a Morph Module. Utilizing multi-scale features extracted from an image patch by the segmentation network, the Graph Decoder facilitates the learning of branch-level features and generates a graph that accurately represents the tubular structure in this patch. The Morph Module processes two primary inputs: the graph and the centerline probability map, provided by the Graph Decoder and the segmentation network, respectively. Employing a novel SkeletonDijkstra algorithm, the Morph Module produces a centerline mask that aligns with the predicted graph. Furthermore, we observe that employing centerline masks predicted by GraphMorph significantly reduces false positives in the segmentation task, which is achieved by a simple yet effective post-processing strategy. The efficacy of our method in the centerline extraction and segmentation tasks has been substantiated through experimental evaluations across various datasets. Source code will be released soon.

Ruitao Chen, Liwei Wang

Reinforcement learning from human feedback (RLHF) has contributed to performance improvements in large language models. To tackle its reliance on substantial amounts of human-labeled data, a successful approach is multi-task representation learning, which involves learning a high-quality, low-dimensional representation from a wide range of source tasks. In this paper, we formulate RLHF as the contextual dueling bandit problem and assume a common linear representation. We demonstrate that the sample complexity of source tasks in multi-task RLHF can be reduced by considering task relevance and allocating different sample sizes to source tasks with varying task relevance. We further propose an algorithm to estimate task relevance by a small number of additional data and then learn a policy. We prove that to achieve $\varepsilon-$optimal, the sample complexity of the source tasks can be significantly reduced compared to uniform sampling. Additionally, the sample complexity of the target task is only linear in the dimension of the latent space, thanks to representation learning.

Yexin Zhang, Chenyi Zhang, Cong Fang et al.

Finite-sum optimization has wide applications in machine learning, covering important problems such as support vector machines, regression, etc. In this paper, we initiate the study of solving finite-sum optimization problems by quantum computing. Specifically, let $f_1,\ldots,f_n\colon\mathbb{R}^d\to\mathbb{R}$ be $\ell$-smooth convex functions and $ψ\colon\mathbb{R}^d\to\mathbb{R}$ be a $μ$-strongly convex proximal function. The goal is to find an $ε$-optimal point for $F(\mathbf{x})=\frac{1}{n}\sum_{i=1}^n f_i(\mathbf{x})+ψ(\mathbf{x})$. We give a quantum algorithm with complexity $\tilde{O}\big(n+\sqrt{d}+\sqrt{\ell/μ}\big(n^{1/3}d^{1/3}+n^{-2/3}d^{5/6}\big)\big)$, improving the classical tight bound $\tildeΘ\big(n+\sqrt{n\ell/μ}\big)$. We also prove a quantum lower bound $\tildeΩ(n+n^{3/4}(\ell/μ)^{1/4})$ when $d$ is large enough. Both our quantum upper and lower bounds can extend to the cases where $ψ$ is not necessarily strongly convex, or each $f_i$ is Lipschitz but not necessarily smooth. In addition, when $F$ is nonconvex, our quantum algorithm can find an $ε$-critial point using $\tilde{O}(n+\ell(d^{1/3}n^{1/3}+\sqrt{d})/ε^2)$ queries.

Bohang Zhang, Jingchu Gai, Yiheng Du et al.

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure has notable limitations: it is inherently coarse, qualitative, and may not well reflect practical requirements (e.g., the ability to encode substructures). In this paper, we introduce a unified framework for quantitatively studying the expressiveness of GNN architectures, addressing all the above limitations. Specifically, we identify a fundamental expressivity measure termed homomorphism expressivity, which quantifies the ability of GNN models to count graphs under homomorphism. Homomorphism expressivity offers a complete and practical assessment tool: the completeness enables direct expressivity comparisons between GNN models, while the practicality allows for understanding concrete GNN abilities such as subgraph counting. By examining four classes of prominent GNNs as case studies, we derive simple, unified, and elegant descriptions of their homomorphism expressivity for both invariant and equivariant settings. Our results provide novel insights into a series of previous work, unify the landscape of different subareas in the community, and settle several open questions. Empirically, extensive experiments on both synthetic and real-world tasks verify our theory, showing that the practical performance of GNN models aligns well with the proposed metric.

Jianhao Wang, Jin Zhang, Haozhe Jiang et al.

Recent offline meta-reinforcement learning (meta-RL) methods typically utilize task-dependent behavior policies (e.g., training RL agents on each individual task) to collect a multi-task dataset. However, these methods always require extra information for fast adaptation, such as offline context for testing tasks. To address this problem, we first formally characterize a unique challenge in offline meta-RL: transition-reward distribution shift between offline datasets and online adaptation. Our theory finds that out-of-distribution adaptation episodes may lead to unreliable policy evaluation and that online adaptation with in-distribution episodes can ensure adaptation performance guarantee. Based on these theoretical insights, we propose a novel adaptation framework, called In-Distribution online Adaptation with uncertainty Quantification (IDAQ), which generates in-distribution context using a given uncertainty quantification and performs effective task belief inference to address new tasks. We find a return-based uncertainty quantification for IDAQ that performs effectively. Experiments show that IDAQ achieves state-of-the-art performance on the Meta-World ML1 benchmark compared to baselines with/without offline adaptation.

Guhao Feng, Bohang Zhang, Yuntian Gu et al.

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.

Han Zhong, Wei Xiong, Jiyuan Tan et al.

We study episodic two-player zero-sum Markov games (MGs) in the offline setting, where the goal is to find an approximate Nash equilibrium (NE) policy pair based on a dataset collected a priori. When the dataset does not have uniform coverage over all policy pairs, finding an approximate NE involves challenges in three aspects: (i) distributional shift between the behavior policy and the optimal policy, (ii) function approximation to handle large state space, and (iii) minimax optimization for equilibrium solving. We propose a pessimism-based algorithm, dubbed as pessimistic minimax value iteration (PMVI), which overcomes the distributional shift by constructing pessimistic estimates of the value functions for both players and outputs a policy pair by solving NEs based on the two value functions. Furthermore, we establish a data-dependent upper bound on the suboptimality which recovers a sublinear rate without the assumption on uniform coverage of the dataset. We also prove an information-theoretical lower bound, which suggests that the data-dependent term in the upper bound is intrinsic. Our theoretical results also highlight a notion of "relative uncertainty", which characterizes the necessary and sufficient condition for achieving sample efficiency in offline MGs. To the best of our knowledge, we provide the first nearly minimax optimal result for offline MGs with function approximation.

Jianqiao Zhao, Yanyang Li, Wanyu Du et al.

Despite recent progress in open-domain dialogue evaluation, how to develop automatic metrics remains an open problem. We explore the potential of dialogue evaluation featuring dialog act information, which was hardly explicitly modeled in previous methods. However, defined at the utterance level in general, dialog act is of coarse granularity, as an utterance can contain multiple segments possessing different functions. Hence, we propose segment act, an extension of dialog act from utterance level to segment level, and crowdsource a large-scale dataset for it. To utilize segment act flows, sequences of segment acts, for evaluation, we develop the first consensus-based dialogue evaluation framework, FlowEval. This framework provides a reference-free approach for dialog evaluation by finding pseudo-references. Extensive experiments against strong baselines on three benchmark datasets demonstrate the effectiveness and other desirable characteristics of our FlowEval, pointing out a potential path for better dialogue evaluation.

Sijia Liu, Andrew Wen, Liwei Wang et al.

While we pay attention to the latest advances in clinical natural language processing (NLP), we can notice some resistance in the clinical and translational research community to adopt NLP models due to limited transparency, interpretability, and usability. In this study, we proposed an open natural language processing development framework. We evaluated it through the implementation of NLP algorithms for the National COVID Cohort Collaborative (N3C). Based on the interests in information extraction from COVID-19 related clinical notes, our work includes 1) an open data annotation process using COVID-19 signs and symptoms as the use case, 2) a community-driven ruleset composing platform, and 3) a synthetic text data generation workflow to generate texts for information extraction tasks without involving human subjects. The corpora were derived from texts from three different institutions (Mayo Clinic, University of Kentucky, University of Minnesota). The gold standard annotations were tested with a single institution's (Mayo) ruleset. This resulted in performances of 0.876, 0.706, and 0.694 in F-scores for Mayo, Minnesota, and Kentucky test datasets, respectively. The study as a consortium effort of the N3C NLP subgroup demonstrates the feasibility of creating a federated NLP algorithm development and benchmarking platform to enhance multi-institution clinical NLP study and adoption. Although we use COVID-19 as a use case in this effort, our framework is general enough to be applied to other domains of interest in clinical NLP.

Xiaoyu Chen, Jiachen Hu, Lin F. Yang et al.

Although model-based reinforcement learning (RL) approaches are considered more sample efficient, existing algorithms are usually relying on sophisticated planning algorithm to couple tightly with the model-learning procedure. Hence the learned models may lack the ability of being re-used with more specialized planners. In this paper we address this issue and provide approaches to learn an RL model efficiently without the guidance of a reward signal. In particular, we take a plug-in solver approach, where we focus on learning a model in the exploration phase and demand that \emph{any planning algorithm} on the learned model can give a near-optimal policy. Specicially, we focus on the linear mixture MDP setting, where the probability transition matrix is a (unknown) convex combination of a set of existing models. We show that, by establishing a novel exploration algorithm, the plug-in approach learns a model by taking $\tilde{O}(d^2H^3/ε^2)$ interactions with the environment and \emph{any} $ε$-optimal planner on the model gives an $O(ε)$-optimal policy on the original model. This sample complexity matches lower bounds for non-plug-in approaches and is \emph{statistically optimal}. We achieve this result by leveraging a careful maximum total-variance bound using Bernstein inequality and properties specified to linear mixture MDP.

Xiaoyu Chen, Jiachen Hu, Chi Jin et al.

Reinforcement learning encounters many challenges when applied directly in the real world. Sim-to-real transfer is widely used to transfer the knowledge learned from simulation to the real world. Domain randomization -- one of the most popular algorithms for sim-to-real transfer -- has been demonstrated to be effective in various tasks in robotics and autonomous driving. Despite its empirical successes, theoretical understanding on why this simple algorithm works is limited. In this paper, we propose a theoretical framework for sim-to-real transfers, in which the simulator is modeled as a set of MDPs with tunable parameters (corresponding to unknown physical parameters such as friction). We provide sharp bounds on the sim-to-real gap -- the difference between the value of policy returned by domain randomization and the value of an optimal policy for the real world. We prove that sim-to-real transfer can succeed under mild conditions without any real-world training samples. Our theory also highlights the importance of using memory (i.e., history-dependent policies) in domain randomization. Our proof is based on novel techniques that reduce the problem of bounding the sim-to-real gap to the problem of designing efficient learning algorithms for infinite-horizon MDPs, which we believe are of independent interest.

Sicheng Zhou, Liwei Wang, Nan Wang et al.

Accurate extraction of breast cancer patients' phenotypes is important for clinical decision support and clinical research. Current models do not take full advantage of cancer domain-specific corpus, whether pre-training Bidirectional Encoder Representations from Transformer model on cancer-specific corpus could improve the performances of extracting breast cancer phenotypes from texts data remains to be explored. The objective of this study is to develop and evaluate the CancerBERT model for extracting breast cancer phenotypes from clinical texts in electronic health records. This data used in the study included 21,291 breast cancer patients diagnosed from 2010 to 2020, patients' clinical notes and pathology reports were collected from the University of Minnesota Clinical Data Repository (UMN). Results: About 3 million clinical notes and pathology reports in electronic health records for 21,291 breast cancer patients were collected to train the CancerBERT model. 200 pathology reports and 50 clinical notes of breast cancer patients that contain 9,685 sentences and 221,356 tokens were manually annotated by two annotators. 20% of the annotated data was used as a test set. Our CancerBERT model achieved the best performance with macro F1 scores equal to 0.876 (95% CI, 0.896-0.902) for exact match and 0.904 (95% CI, 0.896-0.902) for the lenient match. The NER models we developed would facilitate the automated information extraction from clinical texts to further help clinical decision support. Conclusions and Relevance: In this study, we focused on the breast cancer-related concepts extraction from EHR data and obtained a comprehensive annotated dataset that contains 7 types of breast cancer-related concepts. The CancerBERT model with customized vocabulary could significantly improve the performance for extracting breast cancer phenotypes from clinical texts.

Xiaosen Wang, Chuanbiao Song, Liwei Wang et al.

In the field of adversarial robustness, there is a common practice that adopts the single-step adversarial training for quickly developing adversarially robust models. However, the single-step adversarial training is most likely to cause catastrophic overfitting, as after a few training epochs it will be hard to generate strong adversarial examples to continuously boost the adversarial robustness. In this work, we aim to avoid the catastrophic overfitting by introducing multi-step adversarial examples during the single-step adversarial training. Then, to balance the large training overhead of generating multi-step adversarial examples, we propose a Multi-stage Optimization based Adversarial Training (MOAT) method that periodically trains the model on mixed benign examples, single-step adversarial examples, and multi-step adversarial examples stage by stage. In this way, the overall training overhead is reduced significantly, meanwhile, the model could avoid catastrophic overfitting. Extensive experiments on CIFAR-10 and CIFAR-100 datasets demonstrate that under similar amount of training overhead, the proposed MOAT exhibits better robustness than either single-step or multi-step adversarial training methods.