Graph data are inherently complex and heterogeneous, leading to a high natural diversity of distributional shifts. However, it remains unclear how to build machine learning architectures that generalize to the complex distributional shifts naturally occurring in the real world. Here, we develop GraphMETRO, a Graph Neural Network architecture that models natural diversity and captures complex distributional shifts. GraphMETRO employs a Mixture-of-Experts (MoE) architecture with a gating model and multiple expert models, where each expert model targets a specific distributional shift to produce a referential representation w.r.t. a reference model, and the gating model identifies shift components. Additionally, we design a novel objective that aligns the representations from different expert models to ensure reliable optimization. GraphMETRO achieves state-of-the-art results on four datasets from the GOOD benchmark, which is comprised of complex and natural real-world distribution shifts, improving by 67% and 4.2% on the WebKB and Twitch datasets. Code and data are available at https://github.com/Wuyxin/GraphMETRO.

Large language model (LLM) agents have demonstrated impressive capabilities in utilizing external tools and knowledge to boost accuracy and reduce hallucinations. However, developing prompting techniques that enable LLM agents to effectively use these tools and knowledge remains a heuristic and labor-intensive task. Here, we introduce AvaTaR, a novel and automated framework that optimizes an LLM agent to effectively leverage provided tools, improving performance on a given task. During optimization, we design a comparator module to iteratively deliver insightful and comprehensive prompts to the LLM agent by contrastively reasoning between positive and negative examples sampled from training data. We demon- strate AvaTaR on four complex multimodal retrieval datasets featuring textual, visual, and relational information, and three general question-answering (QA) datasets. We find AvaTaR consistently outperforms state-of-the-art approaches across all seven tasks, exhibiting strong generalization ability when applied to novel cases and achieving an average relative improvement of 14% on the Hit@1 metric for the retrieval datasets and 13% for the QA datasets. Code and dataset are available at https://github.com/zou-group/avatar.

Answering real-world complex queries, such as complex product search, often requires accurate retrieval from semi-structured knowledge bases that involve blend of unstructured (e.g., textual descriptions of products) and structured (e.g., entity relations of products) information. However, many previous works studied textual and relational retrieval tasks as separate topics. To address the gap, we develop STARK, a large-scale Semi-structure retrieval benchmark on Textual and Relational Knowledge Bases. Our benchmark covers three domains: product search, academic paper search, and queries in precision medicine. We design a novel pipeline to synthesize realistic user queries that integrate diverse relational information and complex textual properties, together with their ground-truth answers (items). We conduct rigorous human evaluation to validate the quality of our synthesized queries. We further enhance the benchmark with high-quality human-generated queries to provide an authentic reference. STARK serves as a comprehensive testbed for evaluating the performance of retrieval systems driven by large language models (LLMs). Our experiments suggest that STARK presents significant challenges to the current retrieval and LLM systems, highlighting the need for more capable semi-structured retrieval systems.

Learning to predict properties of large graphs is challenging because each prediction requires the knowledge of an entire graph, while the amount of memory available during training is bounded. Here we propose Graph Segment Training (GST), a general framework that utilizes a divide-and-conquer approach to allow learning large graph property prediction with a constant memory footprint. GST first divides a large graph into segments and then backpropagates through only a few segments sampled per training iteration. We refine the GST paradigm by introducing a historical embedding table to efficiently obtain embeddings for segments not sampled for backpropagation. To mitigate the staleness of historical embeddings, we design two novel techniques. First, we finetune the prediction head to fix the input distribution shift. Second, we introduce Stale Embedding Dropout to drop some stale embeddings during training to reduce bias. We evaluate our complete method GST-EFD (with all the techniques together) on two large graph property prediction benchmarks: MalNet and TpuGraphs. Our experiments show that GST-EFD is both memory-efficient and fast, while offering a slight boost on test accuracy over a typical full graph training regime.

Precise hardware performance models play a crucial role in code optimizations. They can assist compilers in making heuristic decisions or aid autotuners in identifying the optimal configuration for a given program. For example, the autotuner for XLA, a machine learning compiler, discovered 10–20\% speedup on state-of-the-art models serving substantial production traffic at Google. Although there exist a few datasets for program performance prediction, they target small sub-programs such as basic blocks or kernels. This paper introduces TpuGraphs, a performance prediction dataset on full tensor programs, represented as computational graphs, running on Tensor Processing Units (TPUs). Each graph in the dataset represents the main computation of a machine learning workload, e.g., a training epoch or an inference step. Each data sample contains a computational graph, a compilation configuration, and the execution time of the graph when compiled with the configuration. The graphs in the dataset are collected from open-source machine learning programs, featuring popular model architectures (e.g., ResNet, EfficientNet, Mask R-CNN, and Transformer). TpuGraphs provides 25x more graphs than the largest graph property prediction dataset (with comparable graph sizes), and 770x larger graphs on average compared to existing performance prediction datasets on machine learning programs. This graph-level prediction task on large graphs introduces new challenges in learning, ranging from scalability, training efficiency, to model quality.

Embeddings, low-dimensional vector representation of objects, are fundamental in building modern machine learning systems. In industrial settings, there is usually an embedding team that trains an embedding model to solve intended tasks (e.g., product recommendation). The produced embeddings are then widely consumed by consumer teams to solve their unintended tasks (e.g., fraud detection). However, as the embedding model gets updated and retrained to improve performance on the intended task, the newly-generated embeddings are no longer compatible with the existing consumer models. This means that historical versions of the embeddings can never be retired or all consumer teams have to retrain their models to make them compatible with the latest version of the embeddings, both of which are extremely costly in practice.

Subsurface simulations use computational models to predict the flow of fluids (e.g., oil, water, gas) through porous media. These simulations are pivotal in industrial applications such as petroleum production, where fast and accurate models are needed for high-stake decision making, for example, for well placement optimization and field development planning. Classical finite difference numerical simulators require massive computational resources to model large-scale real-world reservoirs. Alternatively, streamline simulators and data-driven surrogate models are computationally more efficient by relying on approximate physics models, however they are insufficient to model complex reservoir dynamics at scale.

We show that DNN accelerator micro-architectures and their program mappings represent specific choices of loop order and hardware parallelism for computing the seven nested loops of DNNs, which enables us to create a formal taxonomy of all existing dense DNN accelerators. Surprisingly, the loop transformations needed to create these hardware variants can be precisely and concisely represented by Halide's scheduling language. By modifying the Halide compiler to generate hardware, we create a system that can fairly compare these prior accelerators. As long as proper loop blocking schemes are used, and the hardware can support mapping replicated loops, many different hardware dataflows yield similar energy efficiency with good performance. This is because the loop blocking can ensure that most data references stay on-chip with good locality and the processing units have high resource utilization. How resources are allocated, especially in the memory system, has a large impact on energy and performance. By optimizing hardware resource allocation while keeping throughput constant, we achieve up to 4.2X energy improvement for Convolutional Neural Networks (CNNs), 1.6X and 1.8X improvement for Long Short-Term Memories (LSTMs) and multi-layer perceptrons (MLPs), respectively.

Difficulty in collecting and annotating large-scale video data raises a growing interest in learning models which can recognize novel classes with only a few training examples. In this paper, we propose the Ordered Temporal Alignment Module (OTAM), a novel few-shot learning framework that can learn to classify a previously unseen video. While most previous work neglects long-term temporal ordering information, our proposed model explicitly leverages the temporal ordering information in video data through ordered temporal alignment. This leads to strong data-efficiency for few-shot learning. In concrete, our proposed pipeline learns a deep distance measurement of the query video with respect to novel class proxies over its alignment path. We adopt an episode-based training scheme and directly optimize the few-shot learning objective. We evaluate OTAM on two challenging real-world datasets, Kinetics and Something-Something-V2, and show that our model leads to significant improvement of few-shot video classification over a wide range of competitive baselines and outperforms state-of-the-art benchmarks by a large margin.

Modern neural networks have the capacity to overfit noisy labels frequently found in real-world datasets. Although great progress has been made, existing techniques are very limited in providing theoretical guarantees for the performance of the neural networks trained with noisy labels. To tackle this challenge, we propose a novel approach with strong theoretical guarantees for robust training of neural networks trained with noisy labels. The key idea behind our method is to select subsets of clean data points that provide an approximately low-rank Jacobian matrix. We then prove that gradient descent applied to the subsets cannot overfit the noisy labels, without regularization or early stopping. Our extensive experiments corroborate our theory and demonstrate that deep networks trained on our subsets achieve a significantly superior performance, e.g., 7% increase in accuracy on mini Webvision with 50% noisy labels, compared to state-of-the art.

Unsupervised image-to-image translation aims at learning a mapping between two visual domains. However, learning a translation across large geometry variations al- ways ends up with failure. In this work, we present a novel disentangle-and-translate framework to tackle the complex objects image-to-image translation task. Instead of learning the mapping on the image space directly, we disentangle image space into a Cartesian product of the appearance and the geometry latent spaces. Specifically, we first in- troduce a geometry prior loss and a conditional VAE loss to encourage the network to learn independent but com- plementary representations. The translation is then built on appearance and geometry space separately. Extensive experiments demonstrate the superior performance of our method to other state-of-the-art approaches, especially in the challenging near-rigid and non-rigid objects translation tasks. In addition, by taking different exemplars as the ap- pearance references, our method also supports multimodal translation. Project page: https://wywu.github. io/projects/TGaGa/TGaGa.html

Temporal action proposals are a common module in action detection pipelines today. Most current methods for training action proposal modules rely on fully supervised approaches that require large amounts of annotated temporal action intervals in long video sequences. The large cost and effort in annotation that this entails motivate us to study the problem of training proposal modules with less supervision. In this work, we propose a semi-supervised learning algorithm specifically designed for training temporal action proposal networks. When only a small number of labels are available, our semi-supervised method generates significantly better proposals than the fully-supervised counterpart and other strong semi-supervised baselines. We validate our method on two challenging action detection video datasets, ActivityNet v1.3 and THUMOS14. We show that our semi-supervised approach consistently matches or outperforms the fully supervised state-of-the-art approaches.

Though much progress has been achieved in single-image 3D human recovery, estimating 3D model for in-the-wild images remains a formidable challenge. The reason lies in the fact that obtaining high-quality 3D annotations for in-the-wild images is an extremely hard task that consumes enormous amount of resources and manpower. To tackle this problem, previous methods adopt a hybrid training strategy that exploits multiple heterogeneous types of annotations including 3D and 2D while leaving the efficacy of each annotation not thoroughly investigated. In this work, we aim to perform a comprehensive study on cost and effectiveness trade-off between different annotations. Specifically, we focus on the challenging task of in-the-wild 3D human recovery from single images when paired 3D annotations are not fully available. Through extensive experiments, we obtain several observations: 1) 3D annotations are efficient, whereas traditional 2D annotations such as 2D keypoints and body part segmentation are less competent in guiding 3D human recovery. 2) Dense Correspondence such as DensePose is effective. When there are no paired in-the-wild 3D annotations available, the model exploiting dense correspondence can achieve 92% of the performance compared to a model trained with paired 3D data. We show that incorporating dense correspondence into in-the-wild 3D human recovery is promising and competitive due to its high efficiency and relatively low annotating cost. Our model trained with dense correspondence can serve as a strong reference for future research.

Deep learning algorithms can fare poorly when the training dataset suffers from heavy class-imbalance but the testing criterion requires good generalization on less frequent classes. We design two novel methods to improve performance in such scenarios. First, we propose a theoretically-principled label-distribution-aware margin (LDAM) loss motivated by minimizing a margin-based generalization bound. This loss replaces the standard cross-entropy objective during training and can be applied with prior strategies for training with class-imbalance such as re-weighting or re-sampling. Second, we propose a simple, yet effective, training schedule that defers re-weighting until after the initial stage, allowing the model to learn an initial representation while avoiding some of the complications associated with re-weighting or re-sampling. We test our methods on several benchmark vision tasks including the real-world imbalanced dataset iNaturalist 2018. Our experiments show that either of these methods alone can already improve over existing techniques and their combination achieves even better performance gains.

Face grouping remains a challenging problem despite the remarkable capability of deep learning approaches in learning face representation. In particular, grouping results can still be egregious given profile faces and a large number of uninteresting faces and noisy detections. Often, a user needs to correct the erroneous grouping manually. In this study, we formulate a novel face grouping framework that learns clustering strategy from ground-truth simulated behavior. This is achieved through imitation learning (a.k.a apprenticeship learning or learning by watching) via inverse reinforcement learning (IRL). In contrast to existing clustering approaches that group instances by similarity, our framework makes sequential decision to dynamically decide when to merge two face instances/groups driven by short- and long-term rewards. Extensive experiments on three benchmark datasets show that our framework outperforms unsupervised and supervised baselines.

Face recognition achieves exceptional success thanks to the emergence of deep learning. However, many contemporary face recognition models still perform relatively poor in processing profile faces compared to frontal faces. A key reason is that the number of frontal and profile training faces are highly imbalanced - there are extensively more frontal training samples compared to profile ones. In addition, it is intrinsically hard to learn a deep representation that is geometrically invariant to large pose variations. In this study, we hypothesize that there is an inherent mapping between frontal and profile faces, and consequently, their discrepancy in the deep representation space can be bridged by an equivariant mapping. To exploit this mapping, we formulate a novel Deep Residual EquivAriant Mapping (DREAM) block, which is capable of adaptively adding residuals to the input deep representation to transform a profile face representation to a canonical pose that simplifies recognition. The DREAM block consistently enhances the performance of profile face recognition for many strong deep networks, including ResNet models, without deliberately augmenting training data of profile faces. The block is easy to use, light-weight, and can be implemented with a negligible computational overhead1.

Facial caricature is an art form of drawing faces in an exaggerated way to convey humor or sarcasm. In this paper, we propose the first Generative Adversarial Network (GAN) for unpaired photo-to-caricature translation, which we call "CariGANs". It explicitly models geometric exaggeration and appearance stylization using two components: CariGeoGAN , which only models the geometry-to-geometry transformation from face photos to caricatures, and CariStyGAN , which transfers the style appearance from caricatures to face photos without any geometry deformation. In this way, a difficult cross-domain translation problem is decoupled into two easier tasks. The perceptual study shows that caricatures generated by our CariGANs are closer to the hand-drawn ones, and at the same time better persevere the identity, compared to state-of-the-art methods. Moreover, our CariGANs allow users to control the shape exaggeration degree and change the color/texture style by tuning the parameters or giving an example caricature.