Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is challenging and requires restrictive approximations. Monte Carlo Dropout has been widely used as a relatively cheap way for approximate Inference and to estimate uncertainty with deep neural networks. Traditionally, the dropout mask is sampled independently from a fixed distribution. Recent works show that the dropout mask can be viewed as a latent variable, which can be inferred with variational inference. These methods face two important challenges: (a) the posterior distribution over masks can be highly multi-modal which can be difficult to approximate with standard variational inference and (b) it is not trivial to fully utilize sample-dependent information and correlation among dropout masks to improve posterior estimation. In this work, we propose GFlowOut to address these issues. GFlowOut leverages the recently proposed probabilistic framework of Generative Flow Networks (GFlowNets) to learn the posterior distribution over dropout masks. We empirically demonstrate that GFlowOut results in predictive distributions that generalize better to out-of-distribution data, and provide uncertainty estimates which lead to better performance in downstream tasks.

生成流动网络（GFLOWNETS）是一种算法家族，用于训练在非均衡目标密度下离散对象的顺序采样器，并已成功用于各种概率建模任务。现有的Gflownets培训目标是国家本地的，或者是过渡的本地，或者在整个采样轨迹上传播奖励信号。我们认为，这些替代方案代表了梯度偏见变化权衡的相反目的，并提出了一种利用这种权衡以减轻其有害影响的方法。受到强化学习的TD（$ \ lambda $）算法的启发，我们介绍了一个subtrajectory Balance或subtb（$ \ lambda $），这是一个GFLOWNET培训目标，可以从不同长度的部分动作子序列中学习。我们表明，SubTB（$ \ lambda $）会在先前研究和新环境中加速采样器的收敛，并在具有更长的动作序列和比以前的可能性更长的环境中培训Gflownets。我们还对随机梯度动力学进行了比较分析，阐明了GFLOWNET训练中的偏差变化权衡以及亚条件平衡的优势。

本文是关于从一系列动作中学习用于生成对象（如分子图）的随机策略的问题，使得生成对象的概率与该对象的给定的正奖励成比例。虽然标准返回最大化往往会收敛到单个返回最大化序列，但是有些情况我们希望在其中进行不同的高回报解决方案。例如，在可能的情况下，在黑盒功能优化中出现，每次都有很大的批次查询，其中批次应该多样化，例如，在新分子的设计中。人们还可以将其视为大致将能量函数转换为生成分布的问题。虽然MCMC方法可以实现这一点，但它们很昂贵，通常只执行本地探索。相反，培训生成政策在培训期间摊销搜索成本，并产生快速生成。使用时间差异学习的见解，基于生成过程作为流量网络的视图，提出Gflownet，使得可以处理不同轨迹可以产生相同的最终状态的棘手的情况，例如，有许多方法是顺序添加原子以产生一些分子图。我们将一组轨迹作为流程铸造并将流动一致性方程转换为学习目标，类似于钟人方程的铸造成时间差异方法。我们证明，拟议目标的任何全球最低限度都会产生一种从所需分布中采样的策略，并展示了Gflownet在一个简单的领域的提高性能和多样性，其中有许多模式到奖励功能以及分子合成任务。

Multiple studies have focused on predicting the prospective popularity of an online document as a whole, without paying attention to the contributions of its individual parts. We introduce the task of proactively forecasting popularities of sentences within online news documents solely utilizing their natural language content. We model sentence-specific popularity forecasting as a sequence regression task. For training our models, we curate InfoPop, the first dataset containing popularity labels for over 1.7 million sentences from over 50,000 online news documents. To the best of our knowledge, this is the first dataset automatically created using streams of incoming search engine queries to generate sentence-level popularity annotations. We propose a novel transfer learning approach involving sentence salience prediction as an auxiliary task. Our proposed technique coupled with a BERT-based neural model exceeds nDCG values of 0.8 for proactive sentence-specific popularity forecasting. Notably, our study presents a non-trivial takeaway: though popularity and salience are different concepts, transfer learning from salience prediction enhances popularity forecasting. We release InfoPop and make our code publicly available: https://github.com/sayarghoshroy/InfoPopularity

Speech systems are sensitive to accent variations. This is especially challenging in the Indian context, with an abundance of languages but a dearth of linguistic studies characterising pronunciation variations. The growing number of L2 English speakers in India reinforces the need to study accents and L1-L2 interactions. We investigate the accents of Indian English (IE) speakers and report in detail our observations, both specific and common to all regions. In particular, we observe the phonemic variations and phonotactics occurring in the speakers' native languages and apply this to their English pronunciations. We demonstrate the influence of 18 Indian languages on IE by comparing the native language pronunciations with IE pronunciations obtained jointly from existing literature studies and phonetically annotated speech of 80 speakers. Consequently, we are able to validate the intuitions of Indian language influences on IE pronunciations by justifying pronunciation rules from the perspective of Indian language phonology. We obtain a comprehensive description in terms of universal and region-specific characteristics of IE, which facilitates accent conversion and adaptation of existing ASR and TTS systems to different Indian accents.

In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.

Developing and least developed countries face the dire challenge of ensuring that each child in their country receives required doses of vaccination, adequate nutrition and proper medication. International agencies such as UNICEF, WHO and WFP, among other organizations, strive to find innovative solutions to determine which child has received the benefits and which have not. Biometric recognition systems have been sought out to help solve this problem. To that end, this report establishes a baseline accuracy of a commercial contactless palmprint recognition system that may be deployed for recognizing children in the age group of one to five years old. On a database of contactless palmprint images of one thousand unique palms from 500 children, we establish SOTA authentication accuracy of 90.85% @ FAR of 0.01%, rank-1 identification accuracy of 99.0% (closed set), and FPIR=0.01 @ FNIR=0.3 for open-set identification using PalmMobile SDK from Armatura.

Selective classification involves identifying the subset of test samples that a model can classify with high accuracy, and is important for applications such as automated medical diagnosis. We argue that this capability of identifying uncertain samples is valuable for training classifiers as well, with the aim of building more accurate classifiers. We unify these dual roles by training a single auxiliary meta-network to output an importance weight as a function of the instance. This measure is used at train time to reweight training data, and at test-time to rank test instances for selective classification. A second, key component of our proposal is the meta-objective of minimizing dropout variance (the variance of classifier output when subjected to random weight dropout) for training the metanetwork. We train the classifier together with its metanetwork using a nested objective of minimizing classifier loss on training data and meta-loss on a separate meta-training dataset. We outperform current state-of-the-art on selective classification by substantial margins--for instance, upto 1.9% AUC and 2% accuracy on a real-world diabetic retinopathy dataset. Finally, our meta-learning framework extends naturally to unsupervised domain adaptation, given our unsupervised variance minimization meta-objective. We show cumulative absolute gains of 3.4% / 3.3% accuracy and AUC over the other baselines in domain shift settings on the Retinopathy dataset using unsupervised domain adaptation.

Many real-world learning scenarios face the challenge of slow concept drift, where data distributions change gradually over time. In this setting, we pose the problem of learning temporally sensitive importance weights for training data, in order to optimize predictive accuracy. We propose a class of temporal reweighting functions that can capture multiple timescales of change in the data, as well as instance-specific characteristics. We formulate a bi-level optimization criterion, and an associated meta-learning algorithm, by which these weights can be learned. In particular, our formulation trains an auxiliary network to output weights as a function of training instances, thereby compactly representing the instance weights. We validate our temporal reweighting scheme on a large real-world dataset of 39M images spread over a 9 year period. Our extensive experiments demonstrate the necessity of instance-based temporal reweighting in the dataset, and achieve significant improvements to classical batch-learning approaches. Further, our proposal easily generalizes to a streaming setting and shows significant gains compared to recent continual learning methods.

Intelligently extracting and linking complex scientific information from unstructured text is a challenging endeavor particularly for those inexperienced with natural language processing. Here, we present a simple sequence-to-sequence approach to joint named entity recognition and relation extraction for complex hierarchical information in scientific text. The approach leverages a pre-trained large language model (LLM), GPT-3, that is fine-tuned on approximately 500 pairs of prompts (inputs) and completions (outputs). Information is extracted either from single sentences or across sentences in abstracts/passages, and the output can be returned as simple English sentences or a more structured format, such as a list of JSON objects. We demonstrate that LLMs trained in this way are capable of accurately extracting useful records of complex scientific knowledge for three representative tasks in materials chemistry: linking dopants with their host materials, cataloging metal-organic frameworks, and general chemistry/phase/morphology/application information extraction. This approach represents a simple, accessible, and highly-flexible route to obtaining large databases of structured knowledge extracted from unstructured text. An online demo is available at http://www.matscholar.com/info-extraction.