剪切粘度虽然是所有液体的基本特性，但在计算上估计分子动力学模拟的计算昂贵。最近，机器学习（ML）方法已被用于在许多情况下增强分子模拟，从而显示出以相对廉价的方式估算粘度的希望。但是，ML方法面临重大挑战，例如当数据集的大小很小时，粘度也很小。在这项工作中，我们训练多个ML模型，以预测Lennard-Jones（LJ）流体的剪切粘度，特别强调解决由小型数据集引起的问题。具体而言，研究了与模型选择，绩效估计和不确定性定量有关的问题。首先，我们表明使用单个看不见的数据集的广泛使用的性能估计步骤显示了小数据集的广泛可变性。在这种情况下，可以使用交叉验证（CV）选择超参数（模型选择）的常见实践，以估算概括误差（性能估计）。我们比较了两个简单的简历程序，以便他们同时选择模型选择和性能估计的能力，并发现基于K折CV的过程显示出较低的误差估计差异。我们讨论绩效指标在培训和评估中的作用。最后，使用高斯工艺回归（GPR）和集合方法来估计单个预测的不确定性。 GPR的不确定性估计还用于构建适用性域，使用ML模型对本工作中生成的另一个小数据集提供了更可靠的预测。总体而言，这项工作中规定的程序共同导致了针对小型数据集的强大ML模型。

Recent work has shown that large language models are capable of generating natural language reasoning steps or Chains-of-Thoughts (CoT) to answer a multi-step question when prompted to do so. This is insufficient, however, when the necessary knowledge is not available or up-to-date within a model's parameters. A straightforward approach to address this is to retrieve text from an external knowledge source using the question as a query and prepend it as context to the model's input. This, however, is also insufficient for multi-step QA where \textit{what to retrieve} depends on \textit{what has already been derived}. To address this issue we propose IRCoT, a new approach that interleaves retrieval with CoT for multi-step QA, guiding the retrieval with CoT and in turn using retrieved results to improve CoT. Our experiments with GPT3 show substantial improvements in retrieval (up to 22 points) and downstream QA (up to 16 points) over the baselines on four datasets: HotpotQA, 2WikiMultihopQA, MuSiQue, and IIRC. Notably, our method also works well for much smaller models such as T5-Flan-large (0.7B) without any additional training.

Deep learning models operating in the complex domain are used due to their rich representation capacity. However, most of these models are either restricted to the first quadrant of the complex plane or project the complex-valued data into the real domain, causing a loss of information. This paper proposes that operating entirely in the complex domain increases the overall performance of complex-valued models. A novel, fully complex-valued learning scheme is proposed to train a Fully Complex-valued Convolutional Neural Network (FC-CNN) using a newly proposed complex-valued loss function and training strategy. Benchmarked on CIFAR-10, SVHN, and CIFAR-100, FC-CNN has a 4-10% gain compared to its real-valued counterpart, maintaining the model complexity. With fewer parameters, it achieves comparable performance to state-of-the-art complex-valued models on CIFAR-10 and SVHN. For the CIFAR-100 dataset, it achieves state-of-the-art performance with 25% fewer parameters. FC-CNN shows better training efficiency and much faster convergence than all the other models.

Building segmentation in high-resolution InSAR images is a challenging task that can be useful for large-scale surveillance. Although complex-valued deep learning networks perform better than their real-valued counterparts for complex-valued SAR data, phase information is not retained throughout the network, which causes a loss of information. This paper proposes a Fully Complex-valued, Fully Convolutional Multi-feature Fusion Network(FC2MFN) for building semantic segmentation on InSAR images using a novel, fully complex-valued learning scheme. The network learns multi-scale features, performs multi-feature fusion, and has a complex-valued output. For the particularity of complex-valued InSAR data, a new complex-valued pooling layer is proposed that compares complex numbers considering their magnitude and phase. This helps the network retain the phase information even through the pooling layer. Experimental results on the simulated InSAR dataset show that FC2MFN achieves better results compared to other state-of-the-art methods in terms of segmentation performance and model complexity.

Object detection and classification using aerial images is a challenging task as the information regarding targets are not abundant. Synthetic Aperture Radar(SAR) images can be used for Automatic Target Recognition(ATR) systems as it can operate in all-weather conditions and in low light settings. But, SAR images contain salt and pepper noise(speckle noise) that cause hindrance for the deep learning models to extract meaningful features. Using just aerial view Electro-optical(EO) images for ATR systems may also not result in high accuracy as these images are of low resolution and also do not provide ample information in extreme weather conditions. Therefore, information from multiple sensors can be used to enhance the performance of Automatic Target Recognition(ATR) systems. In this paper, we explore a methodology to use both EO and SAR sensor information to effectively improve the performance of the ATR systems by handling the shortcomings of each of the sensors. A novel Multi-Modal Domain Fusion(MDF) network is proposed to learn the domain invariant features from multi-modal data and use it to accurately classify the aerial view objects. The proposed MDF network achieves top-10 performance in the Track-1 with an accuracy of 25.3 % and top-5 performance in Track-2 with an accuracy of 34.26 % in the test phase on the PBVS MAVOC Challenge dataset [18].

Knowledge about outcomes is critical for complex event understanding but is hard to acquire. We show that by pre-identifying a participant in a complex event, crowd workers are able to (1) infer the collective impact of salient events that make up the situation, (2) annotate the volitional engagement of participants in causing the situation, and (3) ground the outcome of the situation in state changes of the participants. By creating a multi-step interface and a careful quality control strategy, we collect a high quality annotated dataset of 8K short newswire narratives and ROCStories with high inter-annotator agreement (0.74-0.96 weighted Fleiss Kappa). Our dataset, POQue (Participant Outcome Questions), enables the exploration and development of models that address multiple aspects of semantic understanding. Experimentally, we show that current language models lag behind human performance in subtle ways through our task formulations that target abstract and specific comprehension of a complex event, its outcome, and a participant's influence over the event culmination.

This paper addresses the problem of position estimation in UAVs operating in a cluttered environment where GPS information is unavailable. A model learning-based approach is proposed that takes in the rotor RPMs and past state as input and predicts the one-step-ahead position of the UAV using a novel spectral-normalized memory neural network (SN-MNN). The spectral normalization guarantees stable and reliable prediction performance. The predicted position is transformed to global coordinate frame which is then fused along with the odometry of other peripheral sensors like IMU, barometer, compass etc., using the onboard extended Kalman filter to estimate the states of the UAV. The experimental flight data collected from a motion capture facility using a micro-UAV is used to train the SN-MNN. The PX4-ECL library is used to replay the flight data using the proposed algorithm, and the estimated position is compared with actual ground truth data. The proposed algorithm doesn't require any additional onboard sensors, and is computationally light. The performance of the proposed approach is compared with the current state-of-art GPS-denied algorithms, and it can be seen that the proposed algorithm has the least RMSE for position estimates.

Explainability has been widely stated as a cornerstone of the responsible and trustworthy use of machine learning models. With the ubiquitous use of Deep Neural Network (DNN) models expanding to risk-sensitive and safety-critical domains, many methods have been proposed to explain the decisions of these models. Recent years have also seen concerted efforts that have shown how such explanations can be distorted (attacked) by minor input perturbations. While there have been many surveys that review explainability methods themselves, there has been no effort hitherto to assimilate the different methods and metrics proposed to study the robustness of explanations of DNN models. In this work, we present a comprehensive survey of methods that study, understand, attack, and defend explanations of DNN models. We also present a detailed review of different metrics used to evaluate explanation methods, as well as describe attributional attack and defense methods. We conclude with lessons and take-aways for the community towards ensuring robust explanations of DNN model predictions.

Estimating treatment effects from observational data is a central problem in causal inference. Methods to solve this problem exploit inductive biases and heuristics from causal inference to design multi-head neural network architectures and regularizers. In this work, we propose to use neurosymbolic program synthesis, a data-efficient, and interpretable technique, to solve the treatment effect estimation problem. We theoretically show that neurosymbolic programming can solve the treatment effect estimation problem. By designing a Domain Specific Language (DSL) for treatment effect estimation problem based on the inductive biases used in literature, we argue that neurosymbolic programming is a better alternative to treatment effect estimation than traditional methods. Our empirical study reveals that our method, which implicitly encodes inductive biases in a DSL, achieves better performance on benchmark datasets than the state-of-the-art methods.

In this paper, the Multi-Swarm Cooperative Information-driven search and Divide and Conquer mitigation control (MSCIDC) approach is proposed for faster detection and mitigation of forest fire by reducing the loss of biodiversity, nutrients, soil moisture, and other intangible benefits. A swarm is a cooperative group of Unmanned Aerial Vehicles (UAVs) that fly together to search and quench the fire effectively. The multi-swarm cooperative information-driven search uses a multi-level search comprising cooperative information-driven exploration and exploitation for quick/accurate detection of fire location. The search level is selected based on the thermal sensor information about the potential fire area. The dynamicity of swarms, aided by global regulative repulsion and merging between swarms, reduces the detection and mitigation time compared to the existing methods. The local attraction among the members of the swarm helps the non-detector members to reach the fire location faster, and divide-and-conquer mitigation control ensures a non-overlapping fire sector allocation for all members quenching the fire. The performance of MSCIDC has been compared with different multi-UAV methods using a simulated environment of pine forest. The performance clearly shows that MSCIDC mitigates fire much faster than the multi-UAV methods. The Monte-Carlo simulation results indicate that the proposed method reduces the average forest area burnt by $65\%$ and mission time by $60\%$ compared to the best result case of the multi-UAV approaches, guaranteeing a faster and successful mission.