在许多环境中（来自人体肠道到海洋生态系统）的混合群落发现了生物体，并且可以对人类健康和环境产生深远的影响。 Metagenomics通过高通量测序研究这种群体的基因组材料，得到用于随后分析的DNA子序列。标准工作流程中称为啤酒的基本问题是发现与未知构成生物相关的基因组子组的群集。随后的固有噪声，需要对它们施加的各种生物限制以及偏斜簇大小分布加剧了这种无监督的学习问题的难度。在本文中，我们使用曲线图提出了一种新的配方，其中节点是子序列的，并且边缘代表同意信息。此外，我们模拟了提供了关于不能聚集在一起的节点的异细信号的生物限制。我们通过开发（i）图表示学习的新算法来解决融合问题，这些算法保留了奇妙关系和基于异语的基于约束的基于曲线的图形聚类方法，该方法解决了串簇大小分布的问题。在实际和合成数据集上的广泛实验证明我们的方法称为Repbin，优于各种各样的竞争方法。我们的约束图形表示学习和聚类方法，其在其他域中也可以是有用的，也可以推进距离偏心神经融合和图形表示学习的最先进。

In data containing heterogeneous subpopulations, classification performance benefits from incorporating the knowledge of cluster structure in the classifier. Previous methods for such combined clustering and classification either 1) are classifier-specific and not generic, or 2) independently perform clustering and classifier training, which may not form clusters that can potentially benefit classifier performance. The question of how to perform clustering to improve the performance of classifiers trained on the clusters has received scant attention in previous literature, despite its importance in several real-world applications. In this paper, first, we theoretically analyze the generalization performance of classifiers trained on clustered data and find conditions under which clustering can potentially aid classification. This motivates the design of a simple k-means-based classification algorithm called Clustering Aware Classification (CAC) and its neural variant {DeepCAC}. DeepCAC effectively leverages deep representation learning to learn latent embeddings and finds clusters in a manner that make the clustered data suitable for training classifiers for each underlying subpopulation. Our experiments on synthetic and real benchmark datasets demonstrate the efficacy of DeepCAC over previous methods for combined clustering and classification.

Differentiable Search Indices (DSIs) encode a corpus of documents in the parameters of a model and use the same model to map queries directly to relevant document identifiers. Despite the strong performance of DSI models, deploying them in situations where the corpus changes over time is computationally expensive because reindexing the corpus requires re-training the model. In this work, we introduce DSI++, a continual learning challenge for DSI to incrementally index new documents while being able to answer queries related to both previously and newly indexed documents. Across different model scales and document identifier representations, we show that continual indexing of new documents leads to considerable forgetting of previously indexed documents. We also hypothesize and verify that the model experiences forgetting events during training, leading to unstable learning. To mitigate these issues, we investigate two approaches. The first focuses on modifying the training dynamics. Flatter minima implicitly alleviate forgetting, so we optimize for flatter loss basins and show that the model stably memorizes more documents (+12\%). Next, we introduce a generative memory to sample pseudo-queries for documents and supplement them during continual indexing to prevent forgetting for the retrieval task. Extensive experiments on novel continual indexing benchmarks based on Natural Questions (NQ) and MS MARCO demonstrate that our proposed solution mitigates forgetting by a significant margin. Concretely, it improves the average Hits@10 by $+21.1\%$ over competitive baselines for NQ and requires $6$ times fewer model updates compared to re-training the DSI model for incrementally indexing five corpora in a sequence.

Can we take a recurrent neural network (RNN) trained to translate between languages and augment it to support a new natural language without retraining the model from scratch? Can we fix the faulty behavior of the RNN by replacing portions associated with the faulty behavior? Recent works on decomposing a fully connected neural network (FCNN) and convolutional neural network (CNN) into modules have shown the value of engineering deep models in this manner, which is standard in traditional SE but foreign for deep learning models. However, prior works focus on the image-based multiclass classification problems and cannot be applied to RNN due to (a) different layer structures, (b) loop structures, (c) different types of input-output architectures, and (d) usage of both nonlinear and logistic activation functions. In this work, we propose the first approach to decompose an RNN into modules. We study different types of RNNs, i.e., Vanilla, LSTM, and GRU. Further, we show how such RNN modules can be reused and replaced in various scenarios. We evaluate our approach against 5 canonical datasets (i.e., Math QA, Brown Corpus, Wiki-toxicity, Clinc OOS, and Tatoeba) and 4 model variants for each dataset. We found that decomposing a trained model has a small cost (Accuracy: -0.6%, BLEU score: +0.10%). Also, the decomposed modules can be reused and replaced without needing to retrain.

Fairness of machine learning (ML) software has become a major concern in the recent past. Although recent research on testing and improving fairness have demonstrated impact on real-world software, providing fairness guarantee in practice is still lacking. Certification of ML models is challenging because of the complex decision-making process of the models. In this paper, we proposed Fairify, an SMT-based approach to verify individual fairness property in neural network (NN) models. Individual fairness ensures that any two similar individuals get similar treatment irrespective of their protected attributes e.g., race, sex, age. Verifying this fairness property is hard because of the global checking and non-linear computation nodes in NN. We proposed sound approach to make individual fairness verification tractable for the developers. The key idea is that many neurons in the NN always remain inactive when a smaller part of the input domain is considered. So, Fairify leverages whitebox access to the models in production and then apply formal analysis based pruning. Our approach adopts input partitioning and then prunes the NN for each partition to provide fairness certification or counterexample. We leveraged interval arithmetic and activation heuristic of the neurons to perform the pruning as necessary. We evaluated Fairify on 25 real-world neural networks collected from four different sources, and demonstrated the effectiveness, scalability and performance over baseline and closely related work. Fairify is also configurable based on the domain and size of the NN. Our novel formulation of the problem can answer targeted verification queries with relaxations and counterexamples, which have practical implications.

Machine Learning (ML) software has been widely adopted in modern society, with reported fairness implications for minority groups based on race, sex, age, etc. Many recent works have proposed methods to measure and mitigate algorithmic bias in ML models. The existing approaches focus on single classifier-based ML models. However, real-world ML models are often composed of multiple independent or dependent learners in an ensemble (e.g., Random Forest), where the fairness composes in a non-trivial way. How does fairness compose in ensembles? What are the fairness impacts of the learners on the ultimate fairness of the ensemble? Can fair learners result in an unfair ensemble? Furthermore, studies have shown that hyperparameters influence the fairness of ML models. Ensemble hyperparameters are more complex since they affect how learners are combined in different categories of ensembles. Understanding the impact of ensemble hyperparameters on fairness will help programmers design fair ensembles. Today, we do not understand these fully for different ensemble algorithms. In this paper, we comprehensively study popular real-world ensembles: bagging, boosting, stacking and voting. We have developed a benchmark of 168 ensemble models collected from Kaggle on four popular fairness datasets. We use existing fairness metrics to understand the composition of fairness. Our results show that ensembles can be designed to be fairer without using mitigation techniques. We also identify the interplay between fairness composition and data characteristics to guide fair ensemble design. Finally, our benchmark can be leveraged for further research on fair ensembles. To the best of our knowledge, this is one of the first and largest studies on fairness composition in ensembles yet presented in the literature.

We present DyFOS, an active perception method that Dynamically Finds Optimal States to minimize localization error while avoiding obstacles and occlusions. We consider the scenario where a ground target without any exteroceptive sensors must rely on an aerial observer for pose and uncertainty estimates to localize itself along an obstacle-filled path. The observer uses a downward-facing camera to estimate the target's pose and uncertainty. However, the pose uncertainty is a function of the states of the observer, target, and surrounding environment. To find an optimal state that minimizes the target's localization uncertainty, DyFOS uses a localization error prediction pipeline in an optimization search. Given the states mentioned above, the pipeline predicts the target's localization uncertainty with the help of a trained, complex state-dependent sensor measurement model (which is a probabilistic neural network in our case). Our pipeline also predicts target occlusion and obstacle collision to remove undesirable observer states. The output of the optimization search is an optimal observer state that minimizes target localization uncertainty while avoiding occlusion and collision. We evaluate the proposed method using numerical and simulated (Gazebo) experiments. Our results show that DyFOS is almost 100x faster than yet as good as brute force. Furthermore, DyFOS yielded lower localization errors than random and heuristic searches.

Explainable AI (XAI) is widely viewed as a sine qua non for ever-expanding AI research. A better understanding of the needs of XAI users, as well as human-centered evaluations of explainable models are both a necessity and a challenge. In this paper, we explore how HCI and AI researchers conduct user studies in XAI applications based on a systematic literature review. After identifying and thoroughly analyzing 85 core papers with human-based XAI evaluations over the past five years, we categorize them along the measured characteristics of explanatory methods, namely trust, understanding, fairness, usability, and human-AI team performance. Our research shows that XAI is spreading more rapidly in certain application domains, such as recommender systems than in others, but that user evaluations are still rather sparse and incorporate hardly any insights from cognitive or social sciences. Based on a comprehensive discussion of best practices, i.e., common models, design choices, and measures in user studies, we propose practical guidelines on designing and conducting user studies for XAI researchers and practitioners. Lastly, this survey also highlights several open research directions, particularly linking psychological science and human-centered XAI.

不断增加的材料科学文章使得很难从已发表的文献中推断化学结构 - 培训关系。我们使用自然语言处理（NLP）方法从聚合物文献的摘要中自动提取材料属性数据。作为我们管道的组成部分，我们使用240万材料科学摘要培训了一种语言模型的材料，该材料模型在用作文本编码器时，在五分之三命名实体识别数据集中的其他基线模型都优于其他基线模型。使用此管道，我们在60小时内从约130,000个摘要中获得了约300,000个物质记录。分析了提取的数据，分析了各种应用，例如燃料电池，超级电容器和聚合物太阳能电池，以恢复非平凡的见解。通过我们的管道提取的数据可通过https://polymerscholar.org的Web平台提供，该数据可方便地定位摘要中记录的材料属性数据。这项工作证明了自动管道的可行性，该管道从已发布的文献开始，并以一组完整的提取物质属性信息结束。

在本文中，我们提出了针对无人接地车辆（UGV）的新的控制屏障功能（CBF），该功能有助于避免与运动学（非零速度）障碍物发生冲突。尽管当前的CBF形式已经成功地保证了与静态障碍物的安全/碰撞避免安全性，但动态案例的扩展已获得有限的成功。此外，借助UGV模型，例如Unicycle或自行车，现有CBF的应用在控制方面是保守的，即在某些情况下不可能进行转向/推力控制。从经典的碰撞锥中汲取灵感来避免轨迹规划，我们介绍了其新颖的CBF配方，并具有对独轮车和自行车模型的安全性保证。主要思想是确保障碍物的速度W.R.T.车辆总是指向车辆。因此，我们构建了一个约束，该约束确保速度向量始终避开指向车辆的向量锥。这种新控制方法的功效在哥白尼移动机器人上进行了实验验证。我们将其进一步扩展到以自行车模型的形式扩展到自动驾驶汽车，并在Carla模拟器中的各种情况下证明了避免碰撞。