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Quantitative evaluation metrics have traditionally been pivotal in gauging the advancements of artificial intelligence systems, including large language models (LLMs). However, these metrics have inherent limitations. Given the intricate nature of real-world tasks, a single scalar to quantify and compare is insufficient to capture the fine-grained nuances of model behavior. Metrics serve only as a way to compare and benchmark models, and do not yield actionable diagnostics, thus making the model improvement process challenging. Model developers find themselves amid extensive manual efforts involving sifting through vast datasets and attempting hit-or-miss adjustments to training data or setups. In this work, we address the shortcomings of quantitative metrics by proposing QualEval, which augments quantitative scalar metrics with automated qualitative evaluation as a vehicle for model improvement. QualEval uses a powerful LLM reasoner and our novel flexible linear programming solver to generate human-readable insights that when applied, accelerate model improvement. The insights are backed by a comprehensive dashboard with fine-grained visualizations and human-interpretable analyses. We corroborate the faithfulness of QualEval by demonstrating that leveraging its insights, for example, improves the absolute performance of the Llama 2 model by up to 15% points relative on a challenging dialogue task (DialogSum) when compared to baselines. QualEval successfully increases the pace of model development, thus in essence serving as a data-scientist-in-a-box. Given the focus on critiquing and improving current evaluation metrics, our method serves as a refreshingly new technique for both model evaluation and improvement.

Creating accurate and geologically realistic reservoir facies based on limited measurements is crucial for field development and reservoir management, especially in the oil and gas sector. Traditional two-point geostatistics, while foundational, often struggle to capture complex geological patterns. Multi-point statistics offers more flexibility, but comes with its own challenges. With the rise of Generative Adversarial Networks (GANs) and their success in various fields, there has been a shift towards using them for facies generation. However, recent advances in the computer vision domain have shown the superiority of diffusion models over GANs. Motivated by this, a novel Latent Diffusion Model is proposed, which is specifically designed for conditional generation of reservoir facies. The proposed model produces high-fidelity facies realizations that rigorously preserve conditioning data. It significantly outperforms a GAN-based alternative.

Many Contrastive Learning (CL) methods train their models to be invariant to different "views" of an image input for which a good data augmentation pipeline is crucial. While considerable efforts were directed towards improving pre-text tasks, architectures, or robustness (e.g., Siamese networks or teacher-softmax centering), the majority of these methods remain strongly reliant on the random sampling of operations within the image augmentation pipeline, such as the random resized crop or color distortion operation. In this paper, we argue that the role of the view generation and its effect on performance has so far received insufficient attention. To address this, we propose an easy, learning-free, yet powerful Hard View Selection (HVS) strategy designed to extend the random view generation to expose the pretrained model to harder samples during CL training. It encompasses the following iterative steps: 1) randomly sample multiple views and create pairs of two views, 2) run forward passes for each view pair on the currently trained model, 3) adversarially select the pair yielding the worst loss, and 4) run the backward pass with the selected pair. In our empirical analysis we show that under the hood, HVS increases task difficulty by controlling the Intersection over Union of views during pretraining. With only 300-epoch pretraining, HVS is able to closely rival the 800-epoch DINO baseline which remains very favorable even when factoring in the slowdown induced by the additional forwards of HVS. Additionally, HVS consistently achieves accuracy improvements on ImageNet between 0.4% and 1.9% on linear evaluation and similar improvements on transfer tasks across multiple CL methods, such as DINO, SimSiam, and SimCLR.

Although autonomous functioning facilitates deployment of robotic systems in domains that admit limited human oversight on our planet and beyond, finding correspondence between task requirements and autonomous capability is still an open challenge. Consequently, a number of methods for quantifying autonomy have been proposed over the last three decades, but to our knowledge all these have no discernment of sub-mode features of variation of autonomy and some are based on metrics that violet the Goodhart's law. This paper focuses on the full autonomous mode and proposes a task-requirements based autonomy assessment framework. The framework starts by establishing robot task characteristics from which three autonomy metrics, namely requisite capability, reliability and responsiveness, and functions for determining autonomy as a two-part measure, namely of level of autonomy and degree of autonomy are derived. These characteristics are founded on the realization that robots ultimately replace human skilled workers, to find a mapping between human job and robot task characteristics. The distinction between level and degree of autonomy stemmed from the acknowledgment that autonomy is not just a question of existence, but also one of performance of requisite capability. When continuously monitored, the proposed metrics provide a means of monitoring the integrity of a system. The framework has been demonstrated on two case studies, namely autonomous vehicle at an on-road dynamic driving task and the DARPA subT challenge rules analysis. The framework provides not only a tool for quantifying autonomy, but also a regulatory interface and common language for autonomous systems developers and users.

With the rise of powerful pre-trained vision-language models like CLIP, it becomes essential to investigate ways to adapt these models to downstream datasets. A recently proposed method named Context Optimization (CoOp) introduces the concept of prompt learning -- a recent trend in NLP -- to the vision domain for adapting pre-trained vision-language models. Specifically, CoOp turns context words in a prompt into a set of learnable vectors and, with only a few labeled images for learning, can achieve huge improvements over intensively-tuned manual prompts. In our study we identify a critical problem of CoOp: the learned context is not generalizable to wider unseen classes within the same dataset, suggesting that CoOp overfits base classes observed during training. To address the problem, we propose Conditional Context Optimization (CoCoOp), which extends CoOp by further learning a lightweight neural network to generate for each image an input-conditional token (vector). Compared to CoOp's static prompts, our dynamic prompts adapt to each instance and are thus less sensitive to class shift. Extensive experiments show that CoCoOp generalizes much better than CoOp to unseen classes, even showing promising transferability beyond a single dataset; and yields stronger domain generalization performance as well. Code is available at //github.com/KaiyangZhou/CoOp.

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.

Relation prediction for knowledge graphs aims at predicting missing relationships between entities. Despite the importance of inductive relation prediction, most previous works are limited to a transductive setting and cannot process previously unseen entities. The recent proposed subgraph-based relation reasoning models provided alternatives to predict links from the subgraph structure surrounding a candidate triplet inductively. However, we observe that these methods often neglect the directed nature of the extracted subgraph and weaken the role of relation information in the subgraph modeling. As a result, they fail to effectively handle the asymmetric/anti-symmetric triplets and produce insufficient embeddings for the target triplets. To this end, we introduce a \textbf{C}\textbf{o}mmunicative \textbf{M}essage \textbf{P}assing neural network for \textbf{I}nductive re\textbf{L}ation r\textbf{E}asoning, \textbf{CoMPILE}, that reasons over local directed subgraph structures and has a vigorous inductive bias to process entity-independent semantic relations. In contrast to existing models, CoMPILE strengthens the message interactions between edges and entitles through a communicative kernel and enables a sufficient flow of relation information. Moreover, we demonstrate that CoMPILE can naturally handle asymmetric/anti-symmetric relations without the need for explosively increasing the number of model parameters by extracting the directed enclosing subgraphs. Extensive experiments show substantial performance gains in comparison to state-of-the-art methods on commonly used benchmark datasets with variant inductive settings.

Knowledge graph embedding, which aims to represent entities and relations as low dimensional vectors (or matrices, tensors, etc.), has been shown to be a powerful technique for predicting missing links in knowledge graphs. Existing knowledge graph embedding models mainly focus on modeling relation patterns such as symmetry/antisymmetry, inversion, and composition. However, many existing approaches fail to model semantic hierarchies, which are common in real-world applications. To address this challenge, we propose a novel knowledge graph embedding model---namely, Hierarchy-Aware Knowledge Graph Embedding (HAKE)---which maps entities into the polar coordinate system. HAKE is inspired by the fact that concentric circles in the polar coordinate system can naturally reflect the hierarchy. Specifically, the radial coordinate aims to model entities at different levels of the hierarchy, and entities with smaller radii are expected to be at higher levels; the angular coordinate aims to distinguish entities at the same level of the hierarchy, and these entities are expected to have roughly the same radii but different angles. Experiments demonstrate that HAKE can effectively model the semantic hierarchies in knowledge graphs, and significantly outperforms existing state-of-the-art methods on benchmark datasets for the link prediction task.

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into different categories. With a focus on graph convolutional networks, we review alternative architectures that have recently been developed; these learning paradigms include graph attention networks, graph autoencoders, graph generative networks, and graph spatial-temporal networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes and benchmarks of the existing algorithms on different learning tasks. Finally, we propose potential research directions in this fast-growing field.

Deep neural network architectures have traditionally been designed and explored with human expertise in a long-lasting trial-and-error process. This process requires huge amount of time, expertise, and resources. To address this tedious problem, we propose a novel algorithm to optimally find hyperparameters of a deep network architecture automatically. We specifically focus on designing neural architectures for medical image segmentation task. Our proposed method is based on a policy gradient reinforcement learning for which the reward function is assigned a segmentation evaluation utility (i.e., dice index). We show the efficacy of the proposed method with its low computational cost in comparison with the state-of-the-art medical image segmentation networks. We also present a new architecture design, a densely connected encoder-decoder CNN, as a strong baseline architecture to apply the proposed hyperparameter search algorithm. We apply the proposed algorithm to each layer of the baseline architectures. As an application, we train the proposed system on cine cardiac MR images from Automated Cardiac Diagnosis Challenge (ACDC) MICCAI 2017. Starting from a baseline segmentation architecture, the resulting network architecture obtains the state-of-the-art results in accuracy without performing any trial-and-error based architecture design approaches or close supervision of the hyperparameters changes.