OpenRaiser/Intern-Atlas huggingface dataset:
InGram: Inductive Knowledge Graph Embedding via Relation Graphs
Venue: Conference ICML 2023
Year: 2023

Inductive knowledge graph completion has been considered as the task of predicting missing triplets between new entities that are not observed during training. While most inductive knowledge graph completion methods assume that all entities can be new, they do not allow new relations to appear at inference time. This restriction prohibits the existing methods from appropriately handling real-world knowledge graphs where new entities accompany new relations. In this paper, we propose an INductive knowledge GRAph eMbedding method, InGram, that can generate embeddings of new relations as well as new entities at inference time. Given a knowledge graph, we define a relation graph as a weighted graph consisting of relations and the affinity weights between them. Based on the relation graph and the original knowledge graph, InGram learns how to aggregate neighboring embeddings to generate relation and entity embeddings using an attention mechanism. Experimental results show that InGram outperforms 14 different state-of-the-art methods on varied inductive learning scenarios.
Optimality of Thompson Sampling with Noninformative Priors for Pareto Bandits
Venue: Conference ICML 2023
Year: 2023

In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.
Pix2Struct: Screenshot Parsing as Pretraining for Visual Language Understanding
Venue: Conference ICML 2023
Year: 2023

Visually-situated language is ubiquitous -- sources range from textbooks with diagrams to web pages with images and tables, to mobile apps with buttons and forms. Perhaps due to this diversity, previous work has typically relied on domain-specific recipes with limited sharing of the underlying data, model architectures, and objectives. We present Pix2Struct, a pretrained image-to-text model for purely visual language understanding, which can be finetuned on tasks containing visually-situated language. Pix2Struct is pretrained by learning to parse masked screenshots of web pages into simplified HTML. The web, with its richness of visual elements cleanly reflected in the HTML structure, provides a large source of pretraining data well suited to the diversity of downstream tasks. Intuitively, this objective subsumes common pretraining signals such as OCR, language modeling, image captioning. In addition to the novel pretraining strategy, we introduce a variable-resolution input representation and a more flexible integration of language and vision inputs, where language prompts such as questions are rendered directly on top of the input image. For the first time, we show that a single pretrained model can achieve state-of-the-art results in six out of nine tasks across four domains: documents, illustrations, user interfaces, and natural images.
Minimizing Trajectory Curvature of ODE-based Generative Models
Venue: Conference ICML 2023
Year: 2023

Recent ODE/SDE-based generative models, such as diffusion models, rectified flows, and flow matching, define a generative process as a time reversal of a fixed forward process. Even though these models show impressive performance on large-scale datasets, numerical simulation requires multiple evaluations of a neural network, leading to a slow sampling speed. We attribute the reason to the high curvature of the learned generative trajectories, as it is directly related to the truncation error of a numerical solver. Based on the relationship between the forward process and the curvature, here we present an efficient method of training the forward process to minimize the curvature of generative trajectories without any ODE/SDE simulation. Experiments show that our method achieves a lower curvature than previous models and, therefore, decreased sampling costs while maintaining competitive performance. Code is available at https://github.com/sangyun884/fast-ode.
On the Importance of Feature Decorrelation for Unsupervised Representation Learning in Reinforcement Learning
Venue: Conference ICML 2023
Year: 2023

Recently, unsupervised representation learning (URL) has improved the sample efficiency of Reinforcement Learning (RL) by pretraining a model from a large unlabeled dataset. The underlying principle of these methods is to learn temporally predictive representations by predicting future states in the latent space. However, an important challenge of this approach is the representational collapse, where the subspace of the latent representations collapses into a low-dimensional manifold. To address this issue, we propose a novel URL framework that causally predicts future states while increasing the dimension of the latent manifold by decorrelating the features in the latent space. Through extensive empirical studies, we demonstrate that our framework effectively learns predictive representations without collapse, which significantly improves the sample efficiency of state-of-the-art URL methods on the Atari 100k benchmark. The code is available at https://github.com/dojeon-ai/SimTPR.
Generalization Analysis for Contrastive Representation Learning
Venue: Conference ICML 2023
Year: 2023

Recently, contrastive learning has found impressive success in advancing the state of the art in solving various machine learning tasks. However, the existing generalization analysis is very limited or even not meaningful. In particular, the existing generalization error bounds depend linearly on the number $k$ of negative examples while it was widely shown in practice that choosing a large $k$ is necessary to guarantee good generalization of contrastive learning in downstream tasks. In this paper, we establish novel generalization bounds for contrastive learning which do not depend on $k$, up to logarithmic terms. Our analysis uses structural results on empirical covering numbers and Rademacher complexities to exploit the Lipschitz continuity of loss functions. For self-bounding Lipschitz loss functions, we further improve our results by developing optimistic bounds which imply fast rates in a low noise condition. We apply our results to learning with both linear representation and nonlinear representation by deep neural networks, for both of which we derive Rademacher complexity bounds to get improved generalization bounds.
Learning Control by Iterative Inversion
Venue: Conference ICML 2023
Year: 2023

We propose $\textit{iterative inversion}$ -- an algorithm for learning an inverse function without input-output pairs, but only with samples from the desired output distribution and access to the forward function. The key challenge is a $\textit{distribution shift}$ between the desired outputs and the outputs of an initial random guess, and we prove that iterative inversion can steer the learning correctly, under rather strict conditions on the function. We apply iterative inversion to learn control. Our input is a set of demonstrations of desired behavior, given as video embeddings of trajectories (without actions), and our method iteratively learns to imitate trajectories generated by the current policy, perturbed by random exploration noise. Our approach does not require rewards, and only employs supervised learning, which can be easily scaled to use state-of-the-art trajectory embedding techniques and policy representations. Indeed, with a VQ-VAE embedding, and a transformer-based policy, we demonstrate non-trivial continuous control on several tasks. Further, we report an improved performance on imitating diverse behaviors compared to reward based methods.
Fast Inference from Transformers via Speculative Decoding
Venue: Conference ICML 2023
Year: 2023

Inference from large autoregressive models like Transformers is slow - decoding K tokens takes K serial runs of the model. In this work we introduce speculative decoding - an algorithm to sample from autoregressive models faster without any changes to the outputs, by computing several tokens in parallel. At the heart of our approach lie the observations that (1) hard language-modeling tasks often include easier subtasks that can be approximated well by more efficient models, and (2) using speculative execution and a novel sampling method, we can make exact decoding from the large models faster, by running them in parallel on the outputs of the approximation models, potentially generating several tokens concurrently, and without changing the distribution. Our method can accelerate existing off-the-shelf models without retraining or architecture changes. We demonstrate it on T5-XXL and show a 2X-3X acceleration compared to the standard T5X implementation, with identical outputs.
Efficient Rate Optimal Regret for Adversarial Contextual MDPs Using Online Function Approximation
Venue: Conference ICML 2023
Year: 2023

We present the OMG-CMDP! algorithm for regret minimization in adversarial Contextual MDPs. The algorithm operates under the minimal assumptions of realizable function class and access to online least squares and log loss regression oracles. Our algorithm is efficient (assuming efficient online regression oracles), simple and robust to approximation errors. It enjoys an $\widetilde{O}(H^{2.5} \sqrt{ T|S||A| ( \mathcal{R}(\mathcal{O}) + H \log(δ^{-1}) )})$ regret guarantee, with $T$ being the number of episodes, $S$ the state space, $A$ the action space, $H$ the horizon and $\mathcal{R}(\mathcal{O}) = \mathcal{R}(\mathcal{O}_{\mathrm{sq}}^\mathcal{F}) + \mathcal{R}(\mathcal{O}_{\mathrm{log}}^\mathcal{P})$ is the sum of the regression oracles' regret, used to approximate the context-dependent rewards and dynamics, respectively. To the best of our knowledge, our algorithm is the first efficient rate optimal regret minimization algorithm for adversarial CMDPs that operates under the minimal standard assumption of online function approximation.
GLOBE-CE: A Translation Based Approach for Global Counterfactual Explanations
Venue: Conference ICML 2023
Year: 2023

Counterfactual explanations have been widely studied in explainability, with a range of application dependent methods prominent in fairness, recourse and model understanding. The major shortcoming associated with these methods, however, is their inability to provide explanations beyond the local or instance-level. While many works touch upon the notion of a global explanation, typically suggesting to aggregate masses of local explanations in the hope of ascertaining global properties, few provide frameworks that are both reliable and computationally tractable. Meanwhile, practitioners are requesting more efficient and interactive explainability tools. We take this opportunity to propose Global & Efficient Counterfactual Explanations (GLOBE-CE), a flexible framework that tackles the reliability and scalability issues associated with current state-of-the-art, particularly on higher dimensional datasets and in the presence of continuous features. Furthermore, we provide a unique mathematical analysis of categorical feature translations, utilising it in our method. Experimental evaluation with publicly available datasets and user studies demonstrate that GLOBE-CE performs significantly better than the current state-of-the-art across multiple metrics (e.g., speed, reliability).
Structured Cooperative Learning with Graphical Model Priors
Venue: Conference ICML 2023
Year: 2023

We study how to train personalized models for different tasks on decentralized devices with limited local data. We propose "Structured Cooperative Learning (SCooL)", in which a cooperation graph across devices is generated by a graphical model prior to automatically coordinate mutual learning between devices. By choosing graphical models enforcing different structures, we can derive a rich class of existing and novel decentralized learning algorithms via variational inference. In particular, we show three instantiations of SCooL that adopt Dirac distribution, stochastic block model (SBM), and attention as the prior generating cooperation graphs. These EM-type algorithms alternate between updating the cooperation graph and cooperative learning of local models. They can automatically capture the cross-task correlations among devices by only monitoring their model updating in order to optimize the cooperation graph. We evaluate SCooL and compare it with existing decentralized learning methods on an extensive set of benchmarks, on which SCooL always achieves the highest accuracy of personalized models and significantly outperforms other baselines on communication efficiency. Our code is available at https://github.com/ShuangtongLi/SCooL.
MAHALO: Unifying Offline Reinforcement Learning and Imitation Learning from Observations
Venue: Conference ICML 2023
Year: 2023

We study a new paradigm for sequential decision making, called offline policy learning from observations (PLfO). Offline PLfO aims to learn policies using datasets with substandard qualities: 1) only a subset of trajectories is labeled with rewards, 2) labeled trajectories may not contain actions, 3) labeled trajectories may not be of high quality, and 4) the data may not have full coverage. Such imperfection is common in real-world learning scenarios, and offline PLfO encompasses many existing offline learning setups, including offline imitation learning (IL), offline IL from observations (ILfO), and offline reinforcement learning (RL). In this work, we present a generic approach to offline PLfO, called $\textbf{M}$odality-agnostic $\textbf{A}$dversarial $\textbf{H}$ypothesis $\textbf{A}$daptation for $\textbf{L}$earning from $\textbf{O}$bservations (MAHALO). Built upon the pessimism concept in offline RL, MAHALO optimizes the policy using a performance lower bound that accounts for uncertainty due to the dataset's insufficient coverage. We implement this idea by adversarially training data-consistent critic and reward functions, which forces the learned policy to be robust to data deficiency. We show that MAHALO consistently outperforms or matches specialized algorithms across a variety of offline PLfO tasks in theory and experiments. Our code is available at https://github.com/AnqiLi/mahalo.
Internet Explorer: Targeted Representation Learning on the Open Web
Venue: Conference ICML 2023
Year: 2023

Modern vision models typically rely on fine-tuning general-purpose models pre-trained on large, static datasets. These general-purpose models only capture the knowledge within their pre-training datasets, which are tiny, out-of-date snapshots of the Internet -- where billions of images are uploaded each day. We suggest an alternate approach: rather than hoping our static datasets transfer to our desired tasks after large-scale pre-training, we propose dynamically utilizing the Internet to quickly train a small-scale model that does extremely well on the task at hand. Our approach, called Internet Explorer, explores the web in a self-supervised manner to progressively find relevant examples that improve performance on a desired target dataset. It cycles between searching for images on the Internet with text queries, self-supervised training on downloaded images, determining which images were useful, and prioritizing what to search for next. We evaluate Internet Explorer across several datasets and show that it outperforms or matches CLIP oracle performance by using just a single GPU desktop to actively query the Internet for 30--40 hours. Results, visualizations, and videos at https://internet-explorer-ssl.github.io/
TIPS: Topologically Important Path Sampling for Anytime Neural Networks
Venue: Conference ICML 2023
Year: 2023

Anytime neural networks (AnytimeNNs) are a promising solution to adaptively adjust the model complexity at runtime under various hardware resource constraints. However, the manually-designed AnytimeNNs are biased by designers' prior experience and thus provide sub-optimal solutions. To address the limitations of existing hand-crafted approaches, we first model the training process of AnytimeNNs as a discrete-time Markov chain (DTMC) and use it to identify the paths that contribute the most to the training of AnytimeNNs. Based on this new DTMC-based analysis, we further propose TIPS, a framework to automatically design AnytimeNNs under various hardware constraints. Our experimental results show that TIPS can improve the convergence rate and test accuracy of AnytimeNNs. Compared to the existing AnytimeNNs approaches, TIPS improves the accuracy by 2%-6.6% on multiple datasets and achieves SOTA accuracy-FLOPs tradeoffs.
Parallel Q-Learning: Scaling Off-policy Reinforcement Learning under Massively Parallel Simulation
Venue: Conference ICML 2023
Year: 2023

Reinforcement learning is time-consuming for complex tasks due to the need for large amounts of training data. Recent advances in GPU-based simulation, such as Isaac Gym, have sped up data collection thousands of times on a commodity GPU. Most prior works used on-policy methods like PPO due to their simplicity and ease of scaling. Off-policy methods are more data efficient but challenging to scale, resulting in a longer wall-clock training time. This paper presents a Parallel $Q$-Learning (PQL) scheme that outperforms PPO in wall-clock time while maintaining superior sample efficiency of off-policy learning. PQL achieves this by parallelizing data collection, policy learning, and value learning. Different from prior works on distributed off-policy learning, such as Apex, our scheme is designed specifically for massively parallel GPU-based simulation and optimized to work on a single workstation. In experiments, we demonstrate that $Q$-learning can be scaled to \textit{tens of thousands of parallel environments} and investigate important factors affecting learning speed. The code is available at https://github.com/Improbable-AI/pql.
FAIRER: Fairness as Decision Rationale Alignment
Venue: Conference ICML 2023
Year: 2023

Deep neural networks (DNNs) have made significant progress, but often suffer from fairness issues, as deep models typically show distinct accuracy differences among certain subgroups (e.g., males and females). Existing research addresses this critical issue by employing fairness-aware loss functions to constrain the last-layer outputs and directly regularize DNNs. Although the fairness of DNNs is improved, it is unclear how the trained network makes a fair prediction, which limits future fairness improvements. In this paper, we investigate fairness from the perspective of decision rationale and define the parameter parity score to characterize the fair decision process of networks by analyzing neuron influence in various subgroups. Extensive empirical studies show that the unfair issue could arise from the unaligned decision rationales of subgroups. Existing fairness regularization terms fail to achieve decision rationale alignment because they only constrain last-layer outputs while ignoring intermediate neuron alignment. To address the issue, we formulate the fairness as a new task, i.e., decision rationale alignment that requires DNNs' neurons to have consistent responses on subgroups at both intermediate processes and the final prediction. To make this idea practical during optimization, we relax the naive objective function and propose gradient-guided parity alignment, which encourages gradient-weighted consistency of neurons across subgroups. Extensive experiments on a variety of datasets show that our method can significantly enhance fairness while sustaining a high level of accuracy and outperforming other approaches by a wide margin.
Near-optimal Conservative Exploration in Reinforcement Learning under Episode-wise Constraints
Venue: Conference ICML 2023
Year: 2023

This paper investigates conservative exploration in reinforcement learning where the performance of the learning agent is guaranteed to be above a certain threshold throughout the learning process. It focuses on the tabular episodic Markov Decision Process (MDP) setting that has finite states and actions. With the knowledge of an existing safe baseline policy, an algorithm termed as StepMix is proposed to balance the exploitation and exploration while ensuring that the conservative constraint is never violated in each episode with high probability. StepMix features a unique design of a mixture policy that adaptively and smoothly interpolates between the baseline policy and the optimistic policy. Theoretical analysis shows that StepMix achieves near-optimal regret order as in the constraint-free setting, indicating that obeying the stringent episode-wise conservative constraint does not compromise the learning performance. Besides, a randomization-based EpsMix algorithm is also proposed and shown to achieve the same performance as StepMix. The algorithm design and theoretical analysis are further extended to the setting where the baseline policy is not given a priori but must be learned from an offline dataset, and it is proved that similar conservative guarantee and regret can be achieved if the offline dataset is sufficiently large. Experiment results corroborate the theoretical analysis and demonstrate the effectiveness of the proposed conservative exploration strategies.
Transformers as Algorithms: Generalization and Stability in In-context Learning
Venue: Conference ICML 2023
Year: 2023

In-context learning (ICL) is a type of prompting where a transformer model operates on a sequence of (input, output) examples and performs inference on-the-fly. In this work, we formalize in-context learning as an algorithm learning problem where a transformer model implicitly constructs a hypothesis function at inference-time. We first explore the statistical aspects of this abstraction through the lens of multitask learning: We obtain generalization bounds for ICL when the input prompt is (1) a sequence of i.i.d. (input, label) pairs or (2) a trajectory arising from a dynamical system. The crux of our analysis is relating the excess risk to the stability of the algorithm implemented by the transformer. We characterize when transformer/attention architecture provably obeys the stability condition and also provide empirical verification. For generalization on unseen tasks, we identify an inductive bias phenomenon in which the transfer learning risk is governed by the task complexity and the number of MTL tasks in a highly predictable manner. Finally, we provide numerical evaluations that (1) demonstrate transformers can indeed implement near-optimal algorithms on classical regression problems with i.i.d. and dynamic data, (2) provide insights on stability, and (3) verify our theoretical predictions.