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Active learning is increasingly adopted for expensive multi-objective combinatorial optimization problems, but it involves a challenging subset selection problem, optimizing the batch acquisition score that quantifies the goodness of a batch for evaluation. Due to the excessively large search space of the subset selection problem, prior methods optimize the batch acquisition on the latent space, which has discrepancies with the actual space, or optimize individual acquisition scores without considering the dependencies among candidates in a batch instead of directly optimizing the batch acquisition. To manage the vast search space, a simple and effective approach is the greedy method, which decomposes the problem into smaller subproblems, yet it has difficulty in parallelization since each subproblem depends on the outcome from the previous ones. To this end, we introduce a novel greedy-style subset selection algorithm that optimizes batch acquisition directly on the combinatorial space by sequential greedy sampling from the greedy policy, specifically trained to address all greedy subproblems concurrently. Notably, our experiments on the red fluorescent proteins design task show that our proposed method achieves the baseline performance in 1.69x fewer queries, demonstrating its efficiency., Comment: ICML 2024; Codes at https://github.com/snu-mllab/GreedyPolicyForMOCO

Recent works show that reducing the number of layers in a convolutional neural network can enhance efficiency while maintaining the performance of the network. Existing depth compression methods remove redundant non-linear activation functions and merge the consecutive convolution layers into a single layer. However, these methods suffer from a critical drawback; the kernel size of the merged layers becomes larger, significantly undermining the latency reduction gained from reducing the depth of the network. We show that this problem can be addressed by jointly pruning convolution layers and activation functions. To this end, we propose LayerMerge, a novel depth compression method that selects which activation layers and convolution layers to remove, to achieve a desired inference speed-up while minimizing performance loss. Since the corresponding selection problem involves an exponential search space, we formulate a novel surrogate optimization problem and efficiently solve it via dynamic programming. Empirical results demonstrate that our method consistently outperforms existing depth compression and layer pruning methods on various network architectures, both on image classification and generation tasks. We release the code at https://github.com/snu-mllab/LayerMerge., Comment: ICML 2024

This paper presents a context key/value compression method for Transformer language models in online scenarios, where the context continually expands. As the context lengthens, the attention process demands increasing memory and computations, which in turn reduces the throughput of the language model. To address this challenge, we propose a compressed context memory system that continually compresses the accumulating attention key/value pairs into a compact memory space, facilitating language model inference in a limited memory space of computing environments. Our compression process involves integrating a lightweight conditional LoRA into the language model's forward pass during inference, without the need for fine-tuning the model's entire set of weights. We achieve efficient training by modeling the recursive compression process as a single parallelized forward computation. Through evaluations on conversation, personalization, and multi-task learning, we demonstrate that our approach achieves the performance level of a full context model with $5\times$ smaller context memory size. We further demonstrate the applicability of our approach in a streaming setting with an unlimited context length, outperforming the sliding window approach. Codes are available at https://github.com/snu-mllab/context-memory., Comment: ICLR 2024. Add streaming setting results and training set analyses

Discovering achievements with a hierarchical structure in procedurally generated environments presents a significant challenge. This requires an agent to possess a broad range of abilities, including generalization and long-term reasoning. Many prior methods have been built upon model-based or hierarchical approaches, with the belief that an explicit module for long-term planning would be advantageous for learning hierarchical dependencies. However, these methods demand an excessive number of environment interactions or large model sizes, limiting their practicality. In this work, we demonstrate that proximal policy optimization (PPO), a simple yet versatile model-free algorithm, outperforms previous methods when optimized with recent implementation practices. Moreover, we find that the PPO agent can predict the next achievement to be unlocked to some extent, albeit with limited confidence. Based on this observation, we introduce a novel contrastive learning method, called achievement distillation, which strengthens the agent's ability to predict the next achievement. Our method exhibits a strong capacity for discovering hierarchical achievements and shows state-of-the-art performance on the challenging Crafter environment in a sample-efficient manner while utilizing fewer model parameters., Comment: Accepted at NeurIPS 2023

The deployment of large-scale generative models is often restricted by their potential risk of causing harm to users in unpredictable ways. We focus on the problem of black-box red teaming, where a red team generates test cases and interacts with the victim model to discover a diverse set of failures with limited query access. Existing red teaming methods construct test cases based on human supervision or language model (LM) and query all test cases in a brute-force manner without incorporating any information from past evaluations, resulting in a prohibitively large number of queries. To this end, we propose Bayesian red teaming (BRT), novel query-efficient black-box red teaming methods based on Bayesian optimization, which iteratively identify diverse positive test cases leading to model failures by utilizing the pre-defined user input pool and the past evaluations. Experimental results on various user input pools demonstrate that our method consistently finds a significantly larger number of diverse positive test cases under the limited query budget than the baseline methods. The source code is available at https://github.com/snu-mllab/Bayesian-Red-Teaming., Comment: ACL 2023 Long Paper - Main Conference

Preference-based reinforcement learning (PbRL) is an approach that enables RL agents to learn from preference, which is particularly useful when formulating a reward function is challenging. Existing PbRL methods generally involve a two-step procedure: they first learn a reward model based on given preference data and then employ off-the-shelf reinforcement learning algorithms using the learned reward model. However, obtaining an accurate reward model solely from preference information, especially when the preference is from human teachers, can be difficult. Instead, we propose a PbRL algorithm that directly learns from preference without requiring any reward modeling. To achieve this, we adopt a contrastive learning framework to design a novel policy scoring metric that assigns a high score to policies that align with the given preferences. We apply our algorithm to offline RL tasks with actual human preference labels and show that our algorithm outperforms or is on par with the existing PbRL methods. Notably, on high-dimensional control tasks, our algorithm surpasses offline RL methods that learn with ground-truth reward information. Finally, we show that our algorithm can be successfully applied to fine-tune large language models., Comment: NeurIPS 2023

Diagnosing and cleaning data is a crucial step for building robust machine learning systems. However, identifying problems within large-scale datasets with real-world distributions is challenging due to the presence of complex issues such as label errors, under-representation, and outliers. In this paper, we propose a unified approach for identifying the problematic data by utilizing a largely ignored source of information: a relational structure of data in the feature-embedded space. To this end, we present scalable and effective algorithms for detecting label errors and outlier data based on the relational graph structure of data. We further introduce a visualization tool that provides contextual information of a data point in the feature-embedded space, serving as an effective tool for interactively diagnosing data. We evaluate the label error and outlier/out-of-distribution (OOD) detection performances of our approach on the large-scale image, speech, and language domain tasks, including ImageNet, ESC-50, and SST2. Our approach achieves state-of-the-art detection performance on all tasks considered and demonstrates its effectiveness in debugging large-scale real-world datasets across various domains. We release codes at https://github.com/snu-mllab/Neural-Relation-Graph., Comment: NeurIPS 2023

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., Comment: ICML 2023; Codes at https://github.com/snu-mllab/Efficient-CNN-Depth-Compression

Our work focuses on training RL agents on multiple visually diverse environments to improve observational generalization performance. In prior methods, policy and value networks are separately optimized using a disjoint network architecture to avoid interference and obtain a more accurate value function. We identify that a value network in the multi-environment setting is more challenging to optimize and prone to memorizing the training data than in the conventional single-environment setting. In addition, we find that appropriate regularization on the value network is necessary to improve both training and test performance. To this end, we propose Delayed-Critic Policy Gradient (DCPG), a policy gradient algorithm that implicitly penalizes value estimates by optimizing the value network less frequently with more training data than the policy network. This can be implemented using a single unified network architecture. Furthermore, we introduce a simple self-supervised task that learns the forward and inverse dynamics of environments using a single discriminator, which can be jointly optimized with the value network. Our proposed algorithms significantly improve observational generalization performance and sample efficiency on the Procgen Benchmark., Comment: NeurIPS 2022 final camera-ready

This paper presents a snow accretion test conducted in a climate wind tunnel to investigate the icing process on a model train. The model used within this experiment was the cleaned-up and 2/3-scaled version of EMU-320, which is a high-speed train in Korea. The model was designed without an electronic power source or heat source so that the wheels did not rotate and snow accretion on the model did not occur due to heat sources. To investigate snow accretion, four cases with different ambient temperatures were considered in the climate wind tunnel on Rail Tec Arsenal. Before analyzing the snow accretion on the train, the snow flux and liquid water content of snow were measured so that they could be used as the input conditions for the simulation and to ensure the analysis of the icing process was based on the characteristics of the snow. Both qualitative and quantitative data were obtained, whereby photographs was used for qualitative analysis, and the density of the snow sample and the thickness of snow accreted on the model were used for quantitative analysis. Based on the visual observations, it was deduced that as the ambient temperature increased, the range of the snow accreted was broader. The thickness of snow accreted on the model nose was the largest on the upper and lower part at -3 oC, and on the middle part at -5 oC. Additionally, the cross section of snow accreted was observed to be trench-like. Similar icing processes were observed to occur on the slope of nose. Snow accreted on all components of the bogie, and for all cases, the thickness of snow at wheel was the largest at an arc angle of 40 to 70 o. These detailed data of experimental conditions can be applied as an input to simulations to improve simulations of ice conditions. Thus, they can facilitate the development of appropriate anti-icing designs for trains, Comment: 31 pages, 23 Figures, 8 Tables

We focus on the problem of adversarial attacks against models on discrete sequential data in the black-box setting where the attacker aims to craft adversarial examples with limited query access to the victim model. Existing black-box attacks, mostly based on greedy algorithms, find adversarial examples using pre-computed key positions to perturb, which severely limits the search space and might result in suboptimal solutions. To this end, we propose a query-efficient black-box attack using Bayesian optimization, which dynamically computes important positions using an automatic relevance determination (ARD) categorical kernel. We introduce block decomposition and history subsampling techniques to improve the scalability of Bayesian optimization when an input sequence becomes long. Moreover, we develop a post-optimization algorithm that finds adversarial examples with smaller perturbation size. Experiments on natural language and protein classification tasks demonstrate that our method consistently achieves higher attack success rate with significant reduction in query count and modification rate compared to the previous state-of-the-art methods., Comment: ICML 2022; Codes at https://github.com/snu-mllab/DiscreteBlockBayesAttack

The great success of machine learning with massive amounts of data comes at a price of huge computation costs and storage for training and tuning. Recent studies on dataset condensation attempt to reduce the dependence on such massive data by synthesizing a compact training dataset. However, the existing approaches have fundamental limitations in optimization due to the limited representability of synthetic datasets without considering any data regularity characteristics. To this end, we propose a novel condensation framework that generates multiple synthetic data with a limited storage budget via efficient parameterization considering data regularity. We further analyze the shortcomings of the existing gradient matching-based condensation methods and develop an effective optimization technique for improving the condensation of training data information. We propose a unified algorithm that drastically improves the quality of condensed data against the current state-of-the-art on CIFAR-10, ImageNet, and Speech Commands., Comment: ICML 2022; Codes at https://github.com/snu-mllab/Efficient-Dataset-Condensation.git

Reducing the high computational cost of large convolutional neural networks is crucial when deploying the networks to resource-constrained environments. We first show the greedy approach of recent channel pruning methods ignores the inherent quadratic coupling between channels in the neighboring layers and cannot safely remove inactive weights during the pruning procedure. Furthermore, due to these inactive weights, the greedy methods cannot guarantee to satisfy the given resource constraints and deviate with the true objective. In this regard, we propose a novel channel selection method that optimally selects channels via discrete QCQP, which provably prevents any inactive weights and guarantees to meet the resource constraints tightly in terms of FLOPs, memory usage, and network size. We also propose a quadratic model that accurately estimates the actual inference time of the pruned network, which allows us to adopt inference time as a resource constraint option. Furthermore, we generalize our method to extend the selection granularity beyond channels and handle non-sequential connections. Our experiments on CIFAR-10 and ImageNet show our proposed pruning method outperforms other fixed-importance channel pruning methods on various network architectures., Comment: aistats2022 accepted paper

Deep neural networks have become the driving force of modern image recognition systems. However, the vulnerability of neural networks against adversarial attacks poses a serious threat to the people affected by these systems. In this paper, we focus on a real-world threat model where a Man-in-the-Middle adversary maliciously intercepts and perturbs images web users upload online. This type of attack can raise severe ethical concerns on top of simple performance degradation. To prevent this attack, we devise a novel bi-level optimization algorithm that finds points in the vicinity of natural images that are robust to adversarial perturbations. Experiments on CIFAR-10 and ImageNet show our method can effectively robustify natural images within the given modification budget. We also show the proposed method can improve robustness when jointly used with randomized smoothing., Comment: Accepted and to appear at AAAI 2022

Offline reinforcement learning (offline RL), which aims to find an optimal policy from a previously collected static dataset, bears algorithmic difficulties due to function approximation errors from out-of-distribution (OOD) data points. To this end, offline RL algorithms adopt either a constraint or a penalty term that explicitly guides the policy to stay close to the given dataset. However, prior methods typically require accurate estimation of the behavior policy or sampling from OOD data points, which themselves can be a non-trivial problem. Moreover, these methods under-utilize the generalization ability of deep neural networks and often fall into suboptimal solutions too close to the given dataset. In this work, we propose an uncertainty-based offline RL method that takes into account the confidence of the Q-value prediction and does not require any estimation or sampling of the data distribution. We show that the clipped Q-learning, a technique widely used in online RL, can be leveraged to successfully penalize OOD data points with high prediction uncertainties. Surprisingly, we find that it is possible to substantially outperform existing offline RL methods on various tasks by simply increasing the number of Q-networks along with the clipped Q-learning. Based on this observation, we propose an ensemble-diversified actor-critic algorithm that reduces the number of required ensemble networks down to a tenth compared to the naive ensemble while achieving state-of-the-art performance on most of the D4RL benchmarks considered., Comment: To appear at NeurIPS 2021

While deep neural networks show great performance on fitting to the training distribution, improving the networks' generalization performance to the test distribution and robustness to the sensitivity to input perturbations still remain as a challenge. Although a number of mixup based augmentation strategies have been proposed to partially address them, it remains unclear as to how to best utilize the supervisory signal within each input data for mixup from the optimization perspective. We propose a new perspective on batch mixup and formulate the optimal construction of a batch of mixup data maximizing the data saliency measure of each individual mixup data and encouraging the supermodular diversity among the constructed mixup data. This leads to a novel discrete optimization problem minimizing the difference between submodular functions. We also propose an efficient modular approximation based iterative submodular minimization algorithm for efficient mixup computation per each minibatch suitable for minibatch based neural network training. Our experiments show the proposed method achieves the state of the art generalization, calibration, and weakly supervised localization results compared to other mixup methods. The source code is available at https://github.com/snu-mllab/Co-Mixup., Comment: Published at ICLR 2021 (Oral)