为化疗中的许多重要任务收集标记数据是耗时的，需要昂贵的实验。近年来，机器学习已被用来使用大规模未标记的分子数据集学习分子的丰富表示，并转移知识，以解决有限数据集的更具挑战性的任务。变形AutoEncoders是已经提出用于进行化学性质预测和分子产生任务的转移的工具之一。在这项工作中，我们提出了一种简单的方法，可以通过在变形自身偏析者学习的表示中包含关于相关分子描述符的附加信息来改善机器学习模型的化学性质预测性能。我们验证了三个属性预测的方法询问。我们探讨了合并的描述符的数量，描述符和目标属性之间的相关性，数据集等的尺寸的影响。最后，我们显示了性能预测模型的性能与属性预测数据集之间的距离和更大的未标记之间的关系。 DataSet在表示空间中。

Making histopathology image classifiers robust to a wide range of real-world variability is a challenging task. Here, we describe a candidate deep learning solution for the Mitosis Domain Generalization Challenge 2022 (MIDOG) to address the problem of generalization for mitosis detection in images of hematoxylin-eosin-stained histology slides under high variability (scanner, tissue type and species variability). Our approach consists in training a rotation-invariant deep learning model using aggressive data augmentation with a training set enriched with hard negative examples and automatically selected negative examples from the unlabeled part of the challenge dataset. To optimize the performance of our models, we investigated a hard negative mining regime search procedure that lead us to train our best model using a subset of image patches representing 19.6% of our training partition of the challenge dataset. Our candidate model ensemble achieved a F1-score of .697 on the final test set after automated evaluation on the challenge platform, achieving the third best overall score in the MIDOG 2022 Challenge.

Reading comprehension of legal text can be a particularly challenging task due to the length and complexity of legal clauses and a shortage of expert-annotated datasets. To address this challenge, we introduce the Merger Agreement Understanding Dataset (MAUD), an expert-annotated reading comprehension dataset based on the American Bar Association's 2021 Public Target Deal Points Study, with over 39,000 examples and over 47,000 total annotations. Our fine-tuned Transformer baselines show promising results, with models performing well above random on most questions. However, on a large subset of questions, there is still room for significant improvement. As the only expert-annotated merger agreement dataset, MAUD is valuable as a benchmark for both the legal profession and the NLP community.

Real-life tools for decision-making in many critical domains are based on ranking results. With the increasing awareness of algorithmic fairness, recent works have presented measures for fairness in ranking. Many of those definitions consider the representation of different ``protected groups'', in the top-$k$ ranked items, for any reasonable $k$. Given the protected groups, confirming algorithmic fairness is a simple task. However, the groups' definitions may be unknown in advance. In this paper, we study the problem of detecting groups with biased representation in the top-$k$ ranked items, eliminating the need to pre-define protected groups. The number of such groups possible can be exponential, making the problem hard. We propose efficient search algorithms for two different fairness measures: global representation bounds, and proportional representation. Then we propose a method to explain the bias in the representations of groups utilizing the notion of Shapley values. We conclude with an experimental study, showing the scalability of our approach and demonstrating the usefulness of the proposed algorithms.

Diabetic Retinopathy (DR) is a leading cause of vision loss in the world, and early DR detection is necessary to prevent vision loss and support an appropriate treatment. In this work, we leverage interactive machine learning and introduce a joint learning framework, termed DRG-Net, to effectively learn both disease grading and multi-lesion segmentation. Our DRG-Net consists of two modules: (i) DRG-AI-System to classify DR Grading, localize lesion areas, and provide visual explanations; (ii) DRG-Expert-Interaction to receive feedback from user-expert and improve the DRG-AI-System. To deal with sparse data, we utilize transfer learning mechanisms to extract invariant feature representations by using Wasserstein distance and adversarial learning-based entropy minimization. Besides, we propose a novel attention strategy at both low- and high-level features to automatically select the most significant lesion information and provide explainable properties. In terms of human interaction, we further develop DRG-Net as a tool that enables expert users to correct the system's predictions, which may then be used to update the system as a whole. Moreover, thanks to the attention mechanism and loss functions constraint between lesion features and classification features, our approach can be robust given a certain level of noise in the feedback of users. We have benchmarked DRG-Net on the two largest DR datasets, i.e., IDRID and FGADR, and compared it to various state-of-the-art deep learning networks. In addition to outperforming other SOTA approaches, DRG-Net is effectively updated using user feedback, even in a weakly-supervised manner.

Participants in political discourse employ rhetorical strategies -- such as hedging, attributions, or denials -- to display varying degrees of belief commitments to claims proposed by themselves or others. Traditionally, political scientists have studied these epistemic phenomena through labor-intensive manual content analysis. We propose to help automate such work through epistemic stance prediction, drawn from research in computational semantics, to distinguish at the clausal level what is asserted, denied, or only ambivalently suggested by the author or other mentioned entities (belief holders). We first develop a simple RoBERTa-based model for multi-source stance predictions that outperforms more complex state-of-the-art modeling. Then we demonstrate its novel application to political science by conducting a large-scale analysis of the Mass Market Manifestos corpus of U.S. political opinion books, where we characterize trends in cited belief holders -- respected allies and opposed bogeymen -- across U.S. political ideologies.

Research has shown that climate change creates warmer temperatures and drier conditions, leading to longer wildfire seasons and increased wildfire risks in the United States. These factors have in turn led to increases in the frequency, extent, and severity of wildfires in recent years. Given the danger posed by wildland fires to people, property, wildlife, and the environment, there is an urgency to provide tools for effective wildfire management. Early detection of wildfires is essential to minimizing potentially catastrophic destruction. In this paper, we present our work on integrating multiple data sources in SmokeyNet, a deep learning model using spatio-temporal information to detect smoke from wildland fires. Camera image data is integrated with weather sensor measurements and processed by SmokeyNet to create a multimodal wildland fire smoke detection system. We present our results comparing performance in terms of both accuracy and time-to-detection for multimodal data vs. a single data source. With a time-to-detection of only a few minutes, SmokeyNet can serve as an automated early notification system, providing a useful tool in the fight against destructive wildfires.

Purpose: Tracking the 3D motion of the surgical tool and the patient anatomy is a fundamental requirement for computer-assisted skull-base surgery. The estimated motion can be used both for intra-operative guidance and for downstream skill analysis. Recovering such motion solely from surgical videos is desirable, as it is compliant with current clinical workflows and instrumentation. Methods: We present Tracker of Anatomy and Tool (TAToo). TAToo jointly tracks the rigid 3D motion of patient skull and surgical drill from stereo microscopic videos. TAToo estimates motion via an iterative optimization process in an end-to-end differentiable form. For robust tracking performance, TAToo adopts a probabilistic formulation and enforces geometric constraints on the object level. Results: We validate TAToo on both simulation data, where ground truth motion is available, as well as on anthropomorphic phantom data, where optical tracking provides a strong baseline. We report sub-millimeter and millimeter inter-frame tracking accuracy for skull and drill, respectively, with rotation errors below 1{\deg}. We further illustrate how TAToo may be used in a surgical navigation setting. Conclusion: We present TAToo, which simultaneously tracks the surgical tool and the patient anatomy in skull-base surgery. TAToo directly predicts the motion from surgical videos, without the need of any markers. Our results show that the performance of TAToo compares favorably to competing approaches. Future work will include fine-tuning of our depth network to reach a 1 mm clinical accuracy goal desired for surgical applications in the skull base.

Many problems involve the use of models which learn probability distributions or incorporate randomness in some way. In such problems, because computing the true expected gradient may be intractable, a gradient estimator is used to update the model parameters. When the model parameters directly affect a probability distribution, the gradient estimator will involve score function terms. This paper studies baselines, a variance reduction technique for score functions. Motivated primarily by reinforcement learning, we derive for the first time an expression for the optimal state-dependent baseline, the baseline which results in a gradient estimator with minimum variance. Although we show that there exist examples where the optimal baseline may be arbitrarily better than a value function baseline, we find that the value function baseline usually performs similarly to an optimal baseline in terms of variance reduction. Moreover, the value function can also be used for bootstrapping estimators of the return, leading to additional variance reduction. Our results give new insight and justification for why value function baselines and the generalized advantage estimator (GAE) work well in practice.

Three main points: 1. Data Science (DS) will be increasingly important to heliophysics; 2. Methods of heliophysics science discovery will continually evolve, requiring the use of learning technologies [e.g., machine learning (ML)] that are applied rigorously and that are capable of supporting discovery; and 3. To grow with the pace of data, technology, and workforce changes, heliophysics requires a new approach to the representation of knowledge.