We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or risky. Existing methods rely on greedy approximations to construct a batch of experiments while using black-box methods to optimize over a single target-state pair to intervene with. In this work, we completely dispose of the black-box optimization techniques and greedy heuristics and instead propose a conceptually simple end-to-end gradient-based optimization procedure to acquire a set of optimal intervention target-state pairs. Such a procedure enables parameterization of the design space to efficiently optimize over a batch of multi-target-state interventions, a setting which has hitherto not been explored due to its complexity. We demonstrate that our proposed method outperforms baselines and existing acquisition strategies in both single-target and multi-target settings across a number of synthetic datasets.

Recent works on neural network pruning advocate that reducing the depth of the network is more effective in reducing run-time memory usage and accelerating inference latency than reducing the width of the network through channel pruning. In this regard, some recent works propose depth compression algorithms that merge convolution layers. However, the existing algorithms have a constricted search space and rely on human-engineered heuristics. In this paper, we propose a novel depth compression algorithm which targets general convolution operations. We propose a subset selection problem that replaces inefficient activation layers with identity functions and optimally merges consecutive convolution operations into shallow equivalent convolution operations for efficient end-to-end inference latency. Since the proposed subset selection problem is NP-hard, we formulate a surrogate optimization problem that can be solved exactly via two-stage dynamic programming within a few seconds. We evaluate our methods and baselines by TensorRT for a fair inference latency comparison. Our method outperforms the baseline method with higher accuracy and faster inference speed in MobileNetV2 on the ImageNet dataset. Specifically, we achieve $1.41\times$ speed-up with $0.11$\%p accuracy gain in MobileNetV2-1.0 on the ImageNet.

We study the problem of learning online packing skills for irregular 3D shapes, which is arguably the most challenging setting of bin packing problems. The goal is to consecutively move a sequence of 3D objects with arbitrary shapes into a designated container with only partial observations of the object sequence. Meanwhile, we take physical realizability into account, involving physics dynamics and constraints of a placement. The packing policy should understand the 3D geometry of the object to be packed and make effective decisions to accommodate it in the container in a physically realizable way. We propose a Reinforcement Learning (RL) pipeline to learn the policy. The complex irregular geometry and imperfect object placement together lead to huge solution space. Direct training in such space is prohibitively data intensive. We instead propose a theoretically-provable method for candidate action generation to reduce the action space of RL and the learning burden. A parameterized policy is then learned to select the best placement from the candidates. Equipped with an efficient method of asynchronous RL acceleration and a data preparation process of simulation-ready training sequences, a mature packing policy can be trained in a physics-based environment within 48 hours. Through extensive evaluation on a variety of real-life shape datasets and comparisons with state-of-the-art baselines, we demonstrate that our method outperforms the best-performing baseline on all datasets by at least 12.8% in terms of packing utility.

There is extensive interest in metric learning methods for image retrieval. Many metric learning loss functions focus on learning a correct ranking of training samples, but strongly overfit semantically inconsistent labels and require a large amount of data. To address these shortcomings, we propose a new metric learning method, called contextual loss, which optimizes contextual similarity in addition to cosine similarity. Our contextual loss implicitly enforces semantic consistency among neighbors while converging to the correct ranking. We empirically show that the proposed loss is more robust to label noise, and is less prone to overfitting even when a large portion of train data is withheld. Extensive experiments demonstrate that our method achieves a new state-of-the-art across four image retrieval benchmarks and multiple different evaluation settings. Code is available at: https://github.com/Chris210634/metric-learning-using-contextual-similarity

Optimizing noisy functions online, when evaluating the objective requires experiments on a deployed system, is a crucial task arising in manufacturing, robotics and many others. Often, constraints on safe inputs are unknown ahead of time, and we only obtain noisy information, indicating how close we are to violating the constraints. Yet, safety must be guaranteed at all times, not only for the final output of the algorithm. We introduce a general approach for seeking a stationary point in high dimensional non-linear stochastic optimization problems in which maintaining safety during learning is crucial. Our approach called LB-SGD is based on applying stochastic gradient descent (SGD) with a carefully chosen adaptive step size to a logarithmic barrier approximation of the original problem. We provide a complete convergence analysis of non-convex, convex, and strongly-convex smooth constrained problems, with first-order and zeroth-order feedback. Our approach yields efficient updates and scales better with dimensionality compared to existing approaches. We empirically compare the sample complexity and the computational cost of our method with existing safe learning approaches. Beyond synthetic benchmarks, we demonstrate the effectiveness of our approach on minimizing constraint violation in policy search tasks in safe reinforcement learning (RL).

We tackle the Online 3D Bin Packing Problem, a challenging yet practically useful variant of the classical Bin Packing Problem. In this problem, the items are delivered to the agent without informing the full sequence information. Agent must directly pack these items into the target bin stably without changing their arrival order, and no further adjustment is permitted. Online 3D-BPP can be naturally formulated as Markov Decision Process (MDP). We adopt deep reinforcement learning, in particular, the on-policy actor-critic framework, to solve this MDP with constrained action space. To learn a practically feasible packing policy, we propose three critical designs. First, we propose an online analysis of packing stability based on a novel stacking tree. It attains a high analysis accuracy while reducing the computational complexity from $O(N^2)$ to $O(N \log N)$, making it especially suited for RL training. Second, we propose a decoupled packing policy learning for different dimensions of placement which enables high-resolution spatial discretization and hence high packing precision. Third, we introduce a reward function that dictates the robot to place items in a far-to-near order and therefore simplifies the collision avoidance in movement planning of the robotic arm. Furthermore, we provide a comprehensive discussion on several key implemental issues. The extensive evaluation demonstrates that our learned policy outperforms the state-of-the-art methods significantly and is practically usable for real-world applications.

This paper designs surrogate models with uncertainty quantification capabilities to improve the thermal performance of rib-turbulated internal cooling channels effectively. To construct the surrogate, we use the deep operator network (DeepONet) framework, a novel class of neural networks designed to approximate mappings between infinite-dimensional spaces using relatively small datasets. The proposed DeepONet takes an arbitrary continuous rib geometry with control points as input and outputs continuous detailed information about the distribution of pressure and heat transfer around the profiled ribs. The datasets needed to train and test the proposed DeepONet framework were obtained by simulating a 2D rib-roughened internal cooling channel. To accomplish this, we continuously modified the input rib geometry by adjusting the control points according to a simple random distribution with constraints, rather than following a predefined path or sampling method. The studied channel has a hydraulic diameter, Dh, of 66.7 mm, and a length-to-hydraulic diameter ratio, L/Dh, of 10. The ratio of rib center height to hydraulic diameter (e/Dh), which was not changed during the rib profile update, was maintained at a constant value of 0.048. The ribs were placed in the channel with a pitch-to-height ratio (P/e) of 10. In addition, we provide the proposed surrogates with effective uncertainty quantification capabilities. This is achieved by converting the DeepONet framework into a Bayesian DeepONet (B-DeepONet). B-DeepONet samples from the posterior distribution of DeepONet parameters using the novel framework of stochastic gradient replica-exchange MCMC.

Many scientific and industrial applications require joint optimization of multiple, potentially competing objectives. Multi-objective Bayesian optimization (MOBO) is a sample-efficient framework for identifying Pareto-optimal solutions. We show a natural connection between non-dominated solutions and the highest multivariate rank, which coincides with the outermost level line of the joint cumulative distribution function (CDF). We propose the CDF indicator, a Pareto-compliant metric for evaluating the quality of approximate Pareto sets that complements the popular hypervolume indicator. At the heart of MOBO is the acquisition function, which determines the next candidate to evaluate by navigating the best compromises among the objectives. Multi-objective acquisition functions that rely on box decomposition of the objective space, such as the expected hypervolume improvement (EHVI) and entropy search, scale poorly to a large number of objectives. We propose an acquisition function, called BOtied, based on the CDF indicator. BOtied can be implemented efficiently with copulas, a statistical tool for modeling complex, high-dimensional distributions. We benchmark BOtied against common acquisition functions, including EHVI and random scalarization (ParEGO), in a series of synthetic and real-data experiments. BOtied performs on par with the baselines across datasets and metrics while being computationally efficient.

Multi-fidelity (gray-box) hyperparameter optimization techniques (HPO) have recently emerged as a promising direction for tuning Deep Learning methods. However, existing methods suffer from a sub-optimal allocation of the HPO budget to the hyperparameter configurations. In this work, we introduce DyHPO, a Bayesian Optimization method that learns to decide which hyperparameter configuration to train further in a dynamic race among all feasible configurations. We propose a new deep kernel for Gaussian Processes that embeds the learning curve dynamics, and an acquisition function that incorporates multi-budget information. We demonstrate the significant superiority of DyHPO against state-of-the-art hyperparameter optimization methods through large-scale experiments comprising 50 datasets (Tabular, Image, NLP) and diverse architectures (MLP, CNN/NAS, RNN).

The acquisition of explicit user feedback (e.g., ratings) in real-world recommender systems is often hindered by the need for active user involvement. To mitigate this issue, implicit feedback (e.g., clicks) generated during user browsing is exploited as a viable substitute. However, implicit feedback possesses a high degree of noise, which significantly undermines recommendation quality. While many methods have been proposed to address this issue by assigning varying weights to implicit feedback, two shortcomings persist: (1) the weight calculation in these methods is iteration-independent, without considering the influence of weights in previous iterations, and (2) the weight calculation often relies on prior knowledge, which may not always be readily available or universally applicable. To overcome these two limitations, we model recommendation denoising as a bi-level optimization problem. The inner optimization aims to derive an effective model for the recommendation, as well as guiding the weight determination, thereby eliminating the need for prior knowledge. The outer optimization leverages gradients of the inner optimization and adjusts the weights in a manner considering the impact of previous weights. To efficiently solve this bi-level optimization problem, we employ a weight generator to avoid the storage of weights and a one-step gradient-matching-based loss to significantly reduce computational time. The experimental results on three benchmark datasets demonstrate that our proposed approach outperforms both state-of-the-art general and denoising recommendation models. The code is available at https://github.com/CoderWZW/BOD.