The knockoff filter is a recent false discovery rate (FDR) control method for high-dimensional linear models. We point out that knockoff has three key components: ranking algorithm, augmented design, and symmetric statistic, and each component admits multiple choices. By considering various combinations of the three components, we obtain a collection of variants of knockoff. All these variants guarantee finite-sample FDR control, and our goal is to compare their power. We assume a Rare and Weak signal model on regression coefficients and compare the power of different variants of knockoff by deriving explicit formulas of false positive rate and false negative rate. Our results provide new insights on how to improve power when controlling FDR at a targeted level. We also compare the power of knockoff with its propotype - a method that uses the same ranking algorithm but has access to an ideal threshold. The comparison reveals the additional price one pays by finding a data-driven threshold to control FDR.
Language agents have demonstrated autonomous decision-making abilities by reasoning with foundation models. Recently, efforts have been made to train language agents for performance improvement, with multi-step reasoning and action trajectories as the training data. However, collecting such trajectories still requires considerable human effort, by either artificial annotations or implementations of diverse prompting frameworks. In this work, we propose A$^3$T, a framework that enables the Autonomous Annotation of Agent Trajectories in the style of ReAct. The central role is an ActRe prompting agent, which explains the reason for an arbitrary action. When randomly sampling an external action, the ReAct-style agent could query the ActRe agent with the action to obtain its textual rationales. Novel trajectories are then synthesized by prepending the posterior reasoning from ActRe to the sampled action. In this way, the ReAct-style agent executes multiple trajectories for the failed tasks, and selects the successful ones to supplement its failed trajectory for contrastive self-training. Realized by policy gradient methods with binarized rewards, the contrastive self-training with accumulated trajectories facilitates a closed loop for multiple rounds of language agent self-improvement. We conduct experiments using QLoRA fine-tuning with the open-sourced Mistral-7B-Instruct-v0.2. In AlfWorld, the agent trained with A$^3$T obtains a 1-shot success rate of 96%, and 100% success with 4 iterative rounds. In WebShop, the 1-shot performance of the A$^3$T agent matches human average, and 4 rounds of iterative refinement lead to the performance approaching human experts. A$^3$T agents significantly outperform existing techniques, including prompting with GPT-4, advanced agent frameworks, and fully fine-tuned LLMs.
Keeping large foundation models up to date on latest data is inherently expensive. To avoid the prohibitive costs of constantly retraining, it is imperative to continually train these models. This problem is exacerbated by the lack of any large scale continual learning benchmarks or baselines. We introduce the first set of web-scale Time-Continual (TiC) benchmarks for training vision-language models: TiC-DataComp, TiC-YFCC, and TiC-Redcaps. TiC-DataComp, our largest dataset, contains over 12.7B timestamped image-text pairs spanning 9 years (2014-2022). We first use our benchmarks to curate various dynamic evaluations to measure temporal robustness of existing models. We show OpenAI's CLIP (trained on data up to 2020) loses $\approx 8\%$ zero-shot accuracy on our curated retrieval task from 2021-2022 compared with more recently trained models in OpenCLIP repository. We then study how to efficiently train models on time-continuous data. We demonstrate that a simple rehearsal-based approach that continues training from the last checkpoint and replays old data reduces compute by $2.5\times$ when compared to the standard practice of retraining from scratch. Code is available at //github.com/apple/ml-tic-clip.
Many parallel and distributed computing research results are obtained in simulation, using simulators that mimic real-world executions on some target system. Each such simulator is configured by picking values for parameters that define the behavior of the underlying simulation models it implements. The main concern for a simulator is accuracy: simulated behaviors should be as close as possible to those observed in the real-world target system. This requires that values for each of the simulator's parameters be carefully picked, or "calibrated," based on ground-truth real-world executions. Examining the current state of the art shows that simulator calibration, at least in the field of parallel and distributed computing, is often undocumented (and thus perhaps often not performed) and, when documented, is described as a labor-intensive, manual process. In this work we evaluate the benefit of automating simulation calibration using simple algorithms. Specifically, we use a real-world case study from the field of High Energy Physics and compare automated calibration to calibration performed by a domain scientist. Our main finding is that automated calibration is on par with or significantly outperforms the calibration performed by the domain scientist. Furthermore, automated calibration makes it straightforward to operate desirable trade-offs between simulation accuracy and simulation speed.
Foundation models pretrained on diverse data at scale have demonstrated extraordinary capabilities in a wide range of vision and language tasks. When such models are deployed in real world environments, they inevitably interface with other entities and agents. For example, language models are often used to interact with human beings through dialogue, and visual perception models are used to autonomously navigate neighborhood streets. In response to these developments, new paradigms are emerging for training foundation models to interact with other agents and perform long-term reasoning. These paradigms leverage the existence of ever-larger datasets curated for multimodal, multitask, and generalist interaction. Research at the intersection of foundation models and decision making holds tremendous promise for creating powerful new systems that can interact effectively across a diverse range of applications such as dialogue, autonomous driving, healthcare, education, and robotics. In this manuscript, we examine the scope of foundation models for decision making, and provide conceptual tools and technical background for understanding the problem space and exploring new research directions. We review recent approaches that ground foundation models in practical decision making applications through a variety of methods such as prompting, conditional generative modeling, planning, optimal control, and reinforcement learning, and discuss common challenges and open problems in the field.
Artificial Intelligence (AI) and its applications have sparked extraordinary interest in recent years. This achievement can be ascribed in part to advances in AI subfields including Machine Learning (ML), Computer Vision (CV), and Natural Language Processing (NLP). Deep learning, a sub-field of machine learning that employs artificial neural network concepts, has enabled the most rapid growth in these domains. The integration of vision and language has sparked a lot of attention as a result of this. The tasks have been created in such a way that they properly exemplify the concepts of deep learning. In this review paper, we provide a thorough and an extensive review of the state of the arts approaches, key models design principles and discuss existing datasets, methods, their problem formulation and evaluation measures for VQA and Visual reasoning tasks to understand vision and language representation learning. We also present some potential future paths in this field of research, with the hope that our study may generate new ideas and novel approaches to handle existing difficulties and develop new applications.
Graph clustering, which aims to divide the nodes in the graph into several distinct clusters, is a fundamental and challenging task. In recent years, deep graph clustering methods have been increasingly proposed and achieved promising performance. However, the corresponding survey paper is scarce and it is imminent to make a summary in this field. From this motivation, this paper makes the first comprehensive survey of deep graph clustering. Firstly, the detailed definition of deep graph clustering and the important baseline methods are introduced. Besides, the taxonomy of deep graph clustering methods is proposed based on four different criteria including graph type, network architecture, learning paradigm, and clustering method. In addition, through the careful analysis of the existing works, the challenges and opportunities from five perspectives are summarized. At last, the applications of deep graph clustering in four domains are presented. It is worth mentioning that a collection of state-of-the-art deep graph clustering methods including papers, codes, and datasets is available on GitHub. We hope this work will serve as a quick guide and help researchers to overcome challenges in this vibrant field.
Diffusion models are a class of deep generative models that have shown impressive results on various tasks with dense theoretical founding. Although diffusion models have achieved impressive quality and diversity of sample synthesis than other state-of-the-art models, they still suffer from costly sampling procedure and sub-optimal likelihood estimation. Recent studies have shown great enthusiasm on improving the performance of diffusion model. In this article, we present a first comprehensive review of existing variants of the diffusion models. Specifically, we provide a first taxonomy of diffusion models and categorize them variants to three types, namely sampling-acceleration enhancement, likelihood-maximization enhancement and data-generalization enhancement. We also introduce in detail other five generative models (i.e., variational autoencoders, generative adversarial networks, normalizing flow, autoregressive models, and energy-based models), and clarify the connections between diffusion models and these generative models. Then we make a thorough investigation into the applications of diffusion models, including computer vision, natural language processing, waveform signal processing, multi-modal modeling, molecular graph generation, time series modeling, and adversarial purification. Furthermore, we propose new perspectives pertaining to the development of this generative model.
Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to explain the prediction mechanisms of these models from perspectives such as GNNExplainer, XGNN and PGExplainer. Although such works present systematic frameworks to interpret GNNs, a holistic review for explainable GNNs is unavailable. In this survey, we present a comprehensive review of explainability techniques developed for GNNs. We focus on explainable graph neural networks and categorize them based on the use of explainable methods. We further provide the common performance metrics for GNNs explanations and point out several future research directions.
Recently, Mutual Information (MI) has attracted attention in bounding the generalization error of Deep Neural Networks (DNNs). However, it is intractable to accurately estimate the MI in DNNs, thus most previous works have to relax the MI bound, which in turn weakens the information theoretic explanation for generalization. To address the limitation, this paper introduces a probabilistic representation of DNNs for accurately estimating the MI. Leveraging the proposed MI estimator, we validate the information theoretic explanation for generalization, and derive a tighter generalization bound than the state-of-the-art relaxations.
Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require that a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with an arbitrary depth. Although the primitive graph neural networks have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on graph convolutional network (GCN) and gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.