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Recent artificial intelligence (AI) systems have reached milestones in "grand challenges" ranging from Go to protein-folding. The capability to retrieve medical knowledge, reason over it, and answer medical questions comparably to physicians has long been viewed as one such grand challenge. Large language models (LLMs) have catalyzed significant progress in medical question answering; Med-PaLM was the first model to exceed a "passing" score in US Medical Licensing Examination (USMLE) style questions with a score of 67.2% on the MedQA dataset. However, this and other prior work suggested significant room for improvement, especially when models' answers were compared to clinicians' answers. Here we present Med-PaLM 2, which bridges these gaps by leveraging a combination of base LLM improvements (PaLM 2), medical domain finetuning, and prompting strategies including a novel ensemble refinement approach. Med-PaLM 2 scored up to 86.5% on the MedQA dataset, improving upon Med-PaLM by over 19% and setting a new state-of-the-art. We also observed performance approaching or exceeding state-of-the-art across MedMCQA, PubMedQA, and MMLU clinical topics datasets. We performed detailed human evaluations on long-form questions along multiple axes relevant to clinical applications. In pairwise comparative ranking of 1066 consumer medical questions, physicians preferred Med-PaLM 2 answers to those produced by physicians on eight of nine axes pertaining to clinical utility (p < 0.001). We also observed significant improvements compared to Med-PaLM on every evaluation axis (p < 0.001) on newly introduced datasets of 240 long-form "adversarial" questions to probe LLM limitations. While further studies are necessary to validate the efficacy of these models in real-world settings, these results highlight rapid progress towards physician-level performance in medical question answering.

Large Language Models (LLMs) have significantly advanced natural language processing (NLP) with their impressive language understanding and generation capabilities. However, their performance may be suboptimal for long-tail or domain-specific tasks due to limited exposure to domain-specific knowledge and vocabulary. Additionally, the lack of transparency of most state-of-the-art (SOTA) LLMs, which can only be accessed via APIs, impedes further fine-tuning with custom data. Moreover, data privacy is a significant concern. To address these challenges, we propose the novel Parametric Knowledge Guiding (PKG) framework, which equips LLMs with a knowledge-guiding module to access relevant knowledge at runtime without altering the LLMs' parameters. Our PKG is based on open-source "white-box" small language models, allowing offline storage of any knowledge that LLMs require. We demonstrate that our PKG framework can enhance the performance of "black-box" LLMs on a range of long-tail and domain-specific downstream tasks requiring factual, tabular, medical, and multimodal knowledge.

The real-world data tends to be heavily imbalanced and severely skew the data-driven deep neural networks, which makes Long-Tailed Recognition (LTR) a massive challenging task. Existing LTR methods seldom train Vision Transformers (ViTs) with Long-Tailed (LT) data, while the off-the-shelf pretrain weight of ViTs always leads to unfair comparisons. In this paper, we systematically investigate the ViTs' performance in LTR and propose LiVT to train ViTs from scratch only with LT data. With the observation that ViTs suffer more severe LTR problems, we conduct Masked Generative Pretraining (MGP) to learn generalized features. With ample and solid evidence, we show that MGP is more robust than supervised manners. In addition, Binary Cross Entropy (BCE) loss, which shows conspicuous performance with ViTs, encounters predicaments in LTR. We further propose the balanced BCE to ameliorate it with strong theoretical groundings. Specially, we derive the unbiased extension of Sigmoid and compensate extra logit margins to deploy it. Our Bal-BCE contributes to the quick convergence of ViTs in just a few epochs. Extensive experiments demonstrate that with MGP and Bal-BCE, LiVT successfully trains ViTs well without any additional data and outperforms comparable state-of-the-art methods significantly, e.g., our ViT-B achieves 81.0% Top-1 accuracy in iNaturalist 2018 without bells and whistles. Code is available at //github.com/XuZhengzhuo/LiVT.

Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.

Feature attribution methods are popular in interpretable machine learning. These methods compute the attribution of each input feature to represent its importance, but there is no consensus on the definition of "attribution", leading to many competing methods with little systematic evaluation, complicated in particular by the lack of ground truth attribution. To address this, we propose a dataset modification procedure to induce such ground truth. Using this procedure, we evaluate three common methods: saliency maps, rationales, and attentions. We identify several deficiencies and add new perspectives to the growing body of evidence questioning the correctness and reliability of these methods applied on datasets in the wild. We further discuss possible avenues for remedy and recommend new attribution methods to be tested against ground truth before deployment. The code is available at \url{//github.com/YilunZhou/feature-attribution-evaluation}.

Non-convex optimization is ubiquitous in modern machine learning. Researchers devise non-convex objective functions and optimize them using off-the-shelf optimizers such as stochastic gradient descent and its variants, which leverage the local geometry and update iteratively. Even though solving non-convex functions is NP-hard in the worst case, the optimization quality in practice is often not an issue -- optimizers are largely believed to find approximate global minima. Researchers hypothesize a unified explanation for this intriguing phenomenon: most of the local minima of the practically-used objectives are approximately global minima. We rigorously formalize it for concrete instances of machine learning problems.

Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in capturing the hierarchical graph representation which plays an important role in graph classification. In this paper, we innovatively propose hierarchical graph capsule network (HGCN) that can jointly learn node embeddings and extract graph hierarchies. Specifically, disentangled graph capsules are established by identifying heterogeneous factors underlying each node, such that their instantiation parameters represent different properties of the same entity. To learn the hierarchical representation, HGCN characterizes the part-whole relationship between lower-level capsules (part) and higher-level capsules (whole) by explicitly considering the structure information among the parts. Experimental studies demonstrate the effectiveness of HGCN and the contribution of each component.

Language model pre-training has proven to be useful in learning universal language representations. As a state-of-the-art language model pre-training model, BERT (Bidirectional Encoder Representations from Transformers) has achieved amazing results in many language understanding tasks. In this paper, we conduct exhaustive experiments to investigate different fine-tuning methods of BERT on text classification task and provide a general solution for BERT fine-tuning. Finally, the proposed solution obtains new state-of-the-art results on eight widely-studied text classification datasets.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.

We introduce an effective model to overcome the problem of mode collapse when training Generative Adversarial Networks (GAN). Firstly, we propose a new generator objective that finds it better to tackle mode collapse. And, we apply an independent Autoencoders (AE) to constrain the generator and consider its reconstructed samples as "real" samples to slow down the convergence of discriminator that enables to reduce the gradient vanishing problem and stabilize the model. Secondly, from mappings between latent and data spaces provided by AE, we further regularize AE by the relative distance between the latent and data samples to explicitly prevent the generator falling into mode collapse setting. This idea comes when we find a new way to visualize the mode collapse on MNIST dataset. To the best of our knowledge, our method is the first to propose and apply successfully the relative distance of latent and data samples for stabilizing GAN. Thirdly, our proposed model, namely Generative Adversarial Autoencoder Networks (GAAN), is stable and has suffered from neither gradient vanishing nor mode collapse issues, as empirically demonstrated on synthetic, MNIST, MNIST-1K, CelebA and CIFAR-10 datasets. Experimental results show that our method can approximate well multi-modal distribution and achieve better results than state-of-the-art methods on these benchmark datasets. Our model implementation is published here: //github.com/tntrung/gaan