In the last ten years, various automated machine learning (AutoM ) systems have been proposed to build end-to-end machine learning (ML) pipelines with minimal human interaction. Even though such automatically synthesized ML pipelines are able to achieve a competitive performance, recent studies have shown that users do not trust models constructed by AutoML due to missing transparency of AutoML systems and missing explanations for the constructed ML pipelines. In a requirements analysis study with 36 domain experts, data scientists, and AutoML researchers from different professions with vastly different expertise in ML, we collect detailed informational needs for AutoML. We propose XAutoML, an interactive visual analytics tool for explaining arbitrary AutoML optimization procedures and ML pipelines constructed by AutoML. XAutoML combines interactive visualizations with established techniques from explainable artificial intelligence (XAI) to make the complete AutoML procedure transparent and explainable. By integrating XAutoML with JupyterLab, experienced users can extend the visual analytics with ad-hoc visualizations based on information extracted from XAutoML. We validate our approach in a user study with the same diverse user group from the requirements analysis. All participants were able to extract useful information from XAutoML, leading to a significantly increased understanding of ML pipelines produced by AutoML and the AutoML optimization itself.

We consider a decision aggregation problem with two experts who each make a binary recommendation after observing a private signal about an unknown binary world state. An agent, who does not know the joint information structure between signals and states, sees the experts' recommendations and aims to match the action with the true state. Under the scenario, we study whether supplemented additionally with second-order information (each expert's forecast on the other's recommendation) could enable a better aggregation. We adopt a minimax regret framework to evaluate the aggregator's performance, by comparing it to an omniscient benchmark that knows the joint information structure. With general information structures, we show that second-order information provides no benefit. No aggregator can improve over a trivial aggregator, which always follows the first expert's recommendation. However, positive results emerge when we assume experts' signals are conditionally independent given the world state. When the aggregator is deterministic, we present a robust aggregator that leverages second-order information, which can significantly outperform counterparts without it. Second, when two experts are homogeneous, by adding a non-degenerate assumption on the signals, we demonstrate that random aggregators using second-order information can surpass optimal ones without it. In the remaining settings, the second-order information is not beneficial. We also extend the above results to the setting when the aggregator's utility function is more general.

Despite the recent success in a plethora of hyperparameter optimization (HPO) methods for machine learning (ML) models, the intricate interplay between model hyperparameters (HPs) and predictive losses (a.k.a fitness), which is a key prerequisite for understanding HPO, remain notably underexplored in our community. This results in limited explainability in the HPO process, rendering a lack of human trust and difficulties in pinpointing algorithm bottlenecks. In this paper, we aim to shed light on this black box by conducting large-scale fitness landscape analysis (FLA) on 1,500 HP loss landscapes of 6 ML models with more than 11 model configurations, across 67 datasets and different levels of fidelities. We reveal the first unified, comprehensive portrait of their topographies in terms of smoothness, neutrality and modality. We also show that such properties are highly transferable across datasets and fidelities, providing fundamental evidence for the success of multi-fidelity and transfer learning methods. These findings are made possible by developing a dedicated FLA framework that incorporates a combination of visual and quantitative measures. We further demonstrate the potential of this framework by analyzing the NAS-Bench-101 landscape, and we believe it is able to faciliate fundamental understanding of a broader range of AutoML tasks.

Combinatorial optimization finds an optimal solution within a discrete set of variables and constraints. The field has seen tremendous progress both in research and industry. With the success of deep learning in the past decade, a recent trend in combinatorial optimization has been to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning (ML) models. In this paper, we investigate two essential aspects of machine learning algorithms for combinatorial optimization: temporal characteristics and attention. We argue that for the task of variable selection in the branch-and-bound (B&B) algorithm, incorporating the temporal information as well as the bipartite graph attention improves the solver's performance. We support our claims with intuitions and numerical results over several standard datasets used in the literature and competitions. Code is available at: https://developer.huaweicloud.com/develop/aigallery/notebook/detail?id=047c6cf2-8463-40d7-b92f-7b2ca998e935

Unsupervised environment design (UED) is a form of automatic curriculum learning for training robust decision-making agents to zero-shot transfer into unseen environments. Such autocurricula have received much interest from the RL community. However, UED experiments, based on CPU rollouts and GPU model updates, have often required several weeks of training. This compute requirement is a major obstacle to rapid innovation for the field. This work introduces the minimax library for UED training on accelerated hardware. Using JAX to implement fully-tensorized environments and autocurriculum algorithms, minimax allows the entire training loop to be compiled for hardware acceleration. To provide a petri dish for rapid experimentation, minimax includes a tensorized grid-world based on MiniGrid, in addition to reusable abstractions for conducting autocurricula in procedurally-generated environments. With these components, minimax provides strong UED baselines, including new parallelized variants, which achieve over 120$\times$ speedups in wall time compared to previous implementations when training with equal batch sizes. The minimax library is available under the Apache 2.0 license at https://github.com/facebookresearch/minimax.

Autonomous mobile robots (AMRs) play a crucial role in transportation and service tasks at hospitals, contributing to enhanced efficiency and meeting medical demands. This paper investigates the optimization problem of scheduling strategies for AMRs at smart hospitals, where the service and travel times of AMRs are stochastic. A stochastic mixed-integer programming model is formulated to minimize the total cost of the hospital by reducing the number of AMRs and travel distance while satisfying constraints such as AMR battery state of charge, AMR capacity, and time windows for medical requests. To address this objective, some properties of the solutions with time window constraints are identified. The variable neighborhood search (VNS) algorithm is adjusted by incorporating the properties of the AMR scheduling problem to solve the model. Experimental results demonstrate that VNS generates high-quality solutions. Both enhanced efficiency and the meeting of medical demands are achieved through intelligently arranging the driving routes of AMRs for both charging and service requests, resulting in substantial cost reductions for hospitals and enhanced utilization of medical resources.

Several recent unsupervised learning methods use probabilistic approaches to solve combinatorial optimization (CO) problems based on the assumption of statistically independent solution variables. We demonstrate that this assumption imposes performance limitations in particular on difficult problem instances. Our results corroborate that an autoregressive approach which captures statistical dependencies among solution variables yields superior performance on many popular CO problems. We introduce subgraph tokenization in which the configuration of a set of solution variables is represented by a single token. This tokenization technique alleviates the drawback of the long sequential sampling procedure which is inherent to autoregressive methods without sacrificing expressivity. Importantly, we theoretically motivate an annealed entropy regularization and show empirically that it is essential for efficient and stable learning.

Feature alignment methods are used in many scientific disciplines for data pooling, annotation, and comparison. As an instance of a permutation learning problem, feature alignment presents significant statistical and computational challenges. In this work, we propose the covariance alignment model to study and compare various alignment methods and establish a minimax lower bound for covariance alignment that has a non-standard dimension scaling because of the presence of a nuisance parameter. This lower bound is in fact minimax optimal and is achieved by a natural quasi MLE. However, this estimator involves a search over all permutations which is computationally infeasible even when the problem has moderate size. To overcome this limitation, we show that the celebrated Gromov-Wasserstein algorithm from optimal transport which is more amenable to fast implementation even on large-scale problems is also minimax optimal. These results give the first statistical justification for the deployment of the Gromov-Wasserstein algorithm in practice.

Lightweight data compression is a key technique that allows column stores to exhibit superior performance for analytical queries. Despite a comprehensive study on dictionary-based encodings to approach Shannon's entropy, few prior works have systematically exploited the serial correlation in a column for compression. In this paper, we propose LeCo (i.e., Learned Compression), a framework that uses machine learning to remove the serial redundancy in a value sequence automatically to achieve an outstanding compression ratio and decompression performance simultaneously. LeCo presents a general approach to this end, making existing (ad-hoc) algorithms such as Frame-of-Reference (FOR), Delta Encoding, and Run-Length Encoding (RLE) special cases under our framework. Our microbenchmark with three synthetic and six real-world data sets shows that a prototype of LeCo achieves a Pareto improvement on both compression ratio and random access speed over the existing solutions. When integrating LeCo into widely-used applications, we observe up to 5.2x speed up in a data analytical query in the Arrow columnar execution engine and a 16% increase in RocksDB's throughput.

In this paper, we present a method of multi-robot motion planning by biasing centralized, sampling-based tree search with decentralized, data-driven steer and distance heuristics. Over a range of robot and obstacle densities, we evaluate the plain Rapidly-expanding Random Trees (RRT), and variants of our method for double integrator dynamics. We show that whereas plain RRT fails in every instance to plan for $4$ robots, our method can plan for up to 16 robots, corresponding to searching through a very large 65-dimensional space, which validates the effectiveness of data-driven heuristics at combating exponential search space growth. We also find that the heuristic information is complementary; using both heuristics produces search trees with lower failure rates, nodes, and path costs when compared to using each in isolation. These results illustrate the effective decomposition of high-dimensional joint-space motion planning problems into local problems.