OpenRaiser/Intern-Atlas huggingface dataset:
ClimaX: A foundation model for weather and climate
Venue: Conference ICML 2023
Year: 2023

Most state-of-the-art approaches for weather and climate modeling are based on physics-informed numerical models of the atmosphere. These approaches aim to model the non-linear dynamics and complex interactions between multiple variables, which are challenging to approximate. Additionally, many such numerical models are computationally intensive, especially when modeling the atmospheric phenomenon at a fine-grained spatial and temporal resolution. Recent data-driven approaches based on machine learning instead aim to directly solve a downstream forecasting or projection task by learning a data-driven functional mapping using deep neural networks. However, these networks are trained using curated and homogeneous climate datasets for specific spatiotemporal tasks, and thus lack the generality of numerical models. We develop and demonstrate ClimaX, a flexible and generalizable deep learning model for weather and climate science that can be trained using heterogeneous datasets spanning different variables, spatio-temporal coverage, and physical groundings. ClimaX extends the Transformer architecture with novel encoding and aggregation blocks that allow effective use of available compute while maintaining general utility. ClimaX is pre-trained with a self-supervised learning objective on climate datasets derived from CMIP6. The pre-trained ClimaX can then be fine-tuned to address a breadth of climate and weather tasks, including those that involve atmospheric variables and spatio-temporal scales unseen during pretraining. Compared to existing data-driven baselines, we show that this generality in ClimaX results in superior performance on benchmarks for weather forecasting and climate projections, even when pretrained at lower resolutions and compute budgets. The source code is available at https://github.com/microsoft/ClimaX.
Provable Reset-free Reinforcement Learning by No-Regret Reduction
Venue: Conference ICML 2023
Year: 2023

Reinforcement learning (RL) so far has limited real-world applications. One key challenge is that typical RL algorithms heavily rely on a reset mechanism to sample proper initial states; these reset mechanisms, in practice, are expensive to implement due to the need for human intervention or heavily engineered environments. To make learning more practical, we propose a generic no-regret reduction to systematically design reset-free RL algorithms. Our reduction turns the reset-free RL problem into a two-player game. We show that achieving sublinear regret in this two-player game would imply learning a policy that has both sublinear performance regret and sublinear total number of resets in the original RL problem. This means that the agent eventually learns to perform optimally and avoid resets. To demonstrate the effectiveness of this reduction, we design an instantiation for linear Markov decision processes, which is the first provably correct reset-free RL algorithm.
Revisiting Over-smoothing and Over-squashing Using Ollivier-Ricci Curvature
Venue: Conference ICML 2023
Year: 2023

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.
Deep Clustering with Incomplete Noisy Pairwise Annotations: A Geometric Regularization Approach
Venue: Conference ICML 2023
Year: 2023

The recent integration of deep learning and pairwise similarity annotation-based constrained clustering -- i.e., $\textit{deep constrained clustering}$ (DCC) -- has proven effective for incorporating weak supervision into massive data clustering: Less than 1% of pair similarity annotations can often substantially enhance the clustering accuracy. However, beyond empirical successes, there is a lack of understanding of DCC. In addition, many DCC paradigms are sensitive to annotation noise, but performance-guaranteed noisy DCC methods have been largely elusive. This work first takes a deep look into a recently emerged logistic loss function of DCC, and characterizes its theoretical properties. Our result shows that the logistic DCC loss ensures the identifiability of data membership under reasonable conditions, which may shed light on its effectiveness in practice. Building upon this understanding, a new loss function based on geometric factor analysis is proposed to fend against noisy annotations. It is shown that even under $\textit{unknown}$ annotation confusions, the data membership can still be $\textit{provably}$ identified under our proposed learning criterion. The proposed approach is tested over multiple datasets to validate our claims.
Simple Disentanglement of Style and Content in Visual Representations
Venue: Conference ICML 2023
Year: 2023

Learning visual representations with interpretable features, i.e., disentangled representations, remains a challenging problem. Existing methods demonstrate some success but are hard to apply to large-scale vision datasets like ImageNet. In this work, we propose a simple post-processing framework to disentangle content and style in learned representations from pre-trained vision models. We model the pre-trained features probabilistically as linearly entangled combinations of the latent content and style factors and develop a simple disentanglement algorithm based on the probabilistic model. We show that the method provably disentangles content and style features and verify its efficacy empirically. Our post-processed features yield significant domain generalization performance improvements when the distribution shift occurs due to style changes or style-related spurious correlations.
LEVER: Learning to Verify Language-to-Code Generation with Execution
Venue: Conference ICML 2023
Year: 2023

The advent of large language models trained on code (code LLMs) has led to significant progress in language-to-code generation. State-of-the-art approaches in this area combine LLM decoding with sample pruning and reranking using test cases or heuristics based on the execution results. However, it is challenging to obtain test cases for many real-world language-to-code applications, and heuristics cannot well capture the semantic features of the execution results, such as data type and value range, which often indicates the correctness of the program. In this work, we propose LEVER, a simple approach to improve language-to-code generation by learning to verify the generated programs with their execution results. Specifically, we train verifiers to determine whether a program sampled from the LLMs is correct or not based on the natural language input, the program itself and its execution results. The sampled programs are reranked by combining the verification score with the LLM generation probability, and marginalizing over programs with the same execution results. On four datasets across the domains of table QA, math QA and basic Python programming, LEVER consistently improves over the base code LLMs(4.6% to 10.9% with code-davinci-002) and achieves new state-of-the-art results on all of them.
MetaDiffuser: Diffusion Model as Conditional Planner for Offline Meta-RL
Venue: Conference ICML 2023
Year: 2023

Recently, diffusion model shines as a promising backbone for the sequence modeling paradigm in offline reinforcement learning(RL). However, these works mostly lack the generalization ability across tasks with reward or dynamics change. To tackle this challenge, in this paper we propose a task-oriented conditioned diffusion planner for offline meta-RL(MetaDiffuser), which considers the generalization problem as conditional trajectory generation task with contextual representation. The key is to learn a context conditioned diffusion model which can generate task-oriented trajectories for planning across diverse tasks. To enhance the dynamics consistency of the generated trajectories while encouraging trajectories to achieve high returns, we further design a dual-guided module in the sampling process of the diffusion model. The proposed framework enjoys the robustness to the quality of collected warm-start data from the testing task and the flexibility to incorporate with different task representation method. The experiment results on MuJoCo benchmarks show that MetaDiffuser outperforms other strong offline meta-RL baselines, demonstrating the outstanding conditional generation ability of diffusion architecture.
Continual Vision-Language Representation Learning with Off-Diagonal Information
Venue: Conference ICML 2023
Year: 2023

Large-scale multi-modal contrastive learning frameworks like CLIP typically require a large amount of image-text samples for training. However, these samples are always collected continuously in real scenarios. This paper discusses the feasibility of continual CLIP training using streaming data. Unlike continual learning based on self-supervised learning methods for pure images, which is empirically robust against catastrophic forgetting, CLIP's performance degeneration in the continual setting is significant and non-neglectable. By analyzing the changes in the model's representation space during continual CLIP training from a spatial geometry perspective, we explore and summarize these spatial variations as Spatial Disorder (SD), which can be divided into Intra-modal Rotation and Inter-modal Deviation. Moreover, we empirically and theoretically demonstrate how SD leads to a performance decline for CLIP on cross-modal retrieval tasks. To alleviate SD, we propose a new continual vision-language representation learning framework Mod-X: Maintain off-diagonal information-matriX. By selectively aligning the off-diagonal information distribution of contrastive matrices, the Mod-X improves the capability of the multi-modal model by maintaining the multi-modal representation space alignment on the old data domain during continuously fitting the new training data domain. Experiments on commonly used datasets with different scales and scopes have demonstrated the effectiveness of our method.
Attributing Image Generative Models using Latent Fingerprints
Venue: Conference ICML 2023
Year: 2023

Generative models have enabled the creation of contents that are indistinguishable from those taken from nature. Open-source development of such models raised concerns about the risks of their misuse for malicious purposes. One potential risk mitigation strategy is to attribute generative models via fingerprinting. Current fingerprinting methods exhibit a significant tradeoff between robust attribution accuracy and generation quality while lacking design principles to improve this tradeoff. This paper investigates the use of latent semantic dimensions as fingerprints, from where we can analyze the effects of design variables, including the choice of fingerprinting dimensions, strength, and capacity, on the accuracy-quality tradeoff. Compared with previous SOTA, our method requires minimum computation and is more applicable to large-scale models. We use StyleGAN2 and the latent diffusion model to demonstrate the efficacy of our method.
A Framework for Adapting Offline Algorithms to Solve Combinatorial Multi-Armed Bandit Problems with Bandit Feedback
Venue: Conference ICML 2023
Year: 2023

We investigate the problem of stochastic, combinatorial multi-armed bandits where the learner only has access to bandit feedback and the reward function can be non-linear. We provide a general framework for adapting discrete offline approximation algorithms into sublinear $α$-regret methods that only require bandit feedback, achieving $\mathcal{O}\left(T^\frac{2}{3}\log(T)^\frac{1}{3}\right)$ expected cumulative $α$-regret dependence on the horizon $T$. The framework only requires the offline algorithms to be robust to small errors in function evaluation. The adaptation procedure does not even require explicit knowledge of the offline approximation algorithm -- the offline algorithm can be used as a black box subroutine. To demonstrate the utility of the proposed framework, the proposed framework is applied to diverse applications in submodular maximization. The new CMAB algorithms for submodular maximization with knapsack constraints outperform a full-bandit method developed for the adversarial setting in experiments with real-world data.
SinFusion: Training Diffusion Models on a Single Image or Video
Venue: Conference ICML 2023
Year: 2023

Diffusion models exhibited tremendous progress in image and video generation, exceeding GANs in quality and diversity. However, they are usually trained on very large datasets and are not naturally adapted to manipulate a given input image or video. In this paper we show how this can be resolved by training a diffusion model on a single input image or video. Our image/video-specific diffusion model (SinFusion) learns the appearance and dynamics of the single image or video, while utilizing the conditioning capabilities of diffusion models. It can solve a wide array of image/video-specific manipulation tasks. In particular, our model can learn from few frames the motion and dynamics of a single input video. It can then generate diverse new video samples of the same dynamic scene, extrapolate short videos into long ones (both forward and backward in time) and perform video upsampling. Most of these tasks are not realizable by current video-specific generation methods.
Anti-Exploration by Random Network Distillation
Venue: Conference ICML 2023
Year: 2023

Despite the success of Random Network Distillation (RND) in various domains, it was shown as not discriminative enough to be used as an uncertainty estimator for penalizing out-of-distribution actions in offline reinforcement learning. In this paper, we revisit these results and show that, with a naive choice of conditioning for the RND prior, it becomes infeasible for the actor to effectively minimize the anti-exploration bonus and discriminativity is not an issue. We show that this limitation can be avoided with conditioning based on Feature-wise Linear Modulation (FiLM), resulting in a simple and efficient ensemble-free algorithm based on Soft Actor-Critic. We evaluate it on the D4RL benchmark, showing that it is capable of achieving performance comparable to ensemble-based methods and outperforming ensemble-free approaches by a wide margin.
Input Perturbation Reduces Exposure Bias in Diffusion Models
Venue: Conference ICML 2023
Year: 2023

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the exposure bias problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that, without affecting the recall and precision, the proposed input perturbation leads to a significant improvement in the sample quality while reducing both the training and the inference times. For instance, on CelebA 64$\times$64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time. The code is publicly available at https://github.com/forever208/DDPM-IP
Do Embodied Agents Dream of Pixelated Sheep: Embodied Decision Making using Language Guided World Modelling
Venue: Conference ICML 2023
Year: 2023

Reinforcement learning (RL) agents typically learn tabula rasa, without prior knowledge of the world. However, if initialized with knowledge of high-level subgoals and transitions between subgoals, RL agents could utilize this Abstract World Model (AWM) for planning and exploration. We propose using few-shot large language models (LLMs) to hypothesize an AWM, that will be verified through world experience, to improve sample efficiency of RL agents. Our DECKARD agent applies LLM-guided exploration to item crafting in Minecraft in two phases: (1) the Dream phase where the agent uses an LLM to decompose a task into a sequence of subgoals, the hypothesized AWM; and (2) the Wake phase where the agent learns a modular policy for each subgoal and verifies or corrects the hypothesized AWM. Our method of hypothesizing an AWM with LLMs and then verifying the AWM based on agent experience not only increases sample efficiency over contemporary methods by an order of magnitude but is also robust to and corrects errors in the LLM, successfully blending noisy internet-scale information from LLMs with knowledge grounded in environment dynamics.
Gradient-Free Structured Pruning with Unlabeled Data
Venue: Conference ICML 2023
Year: 2023

Large Language Models (LLMs) have achieved great success in solving difficult tasks across many domains, but such success comes with a high computation cost, and inference latency. As developers and third parties customize these models, the need to provide efficient inference has increased. Many efforts have attempted to reduce inference cost through model compression techniques such as pruning and distillation. However, these techniques either require labeled data, or are time-consuming as they require the compressed model to be retrained to regain accuracy. In this paper, we propose a gradient-free structured pruning framework that uses only unlabeled data. An evaluation on the GLUE and SQuAD benchmarks using BERT$_{BASE}$ and DistilBERT illustrates the effectiveness of the proposed approach. By only using the weights of the pre-trained model and unlabeled data, in a matter of a few minutes on a single GPU, up to 40% of the original FLOP count can be reduced with less than a 4% accuracy loss across all tasks considered.
CHiLS: Zero-Shot Image Classification with Hierarchical Label Sets
Venue: Conference ICML 2023
Year: 2023

Open vocabulary models (e.g. CLIP) have shown strong performance on zero-shot classification through their ability generate embeddings for each class based on their (natural language) names. Prior work has focused on improving the accuracy of these models through prompt engineering or by incorporating a small amount of labeled downstream data (via finetuning). However, there has been little focus on improving the richness of the class names themselves, which can pose issues when class labels are coarsely-defined and are uninformative. We propose Classification with Hierarchical Label Sets (or CHiLS), an alternative strategy for zero-shot classification specifically designed for datasets with implicit semantic hierarchies. CHiLS proceeds in three steps: (i) for each class, produce a set of subclasses, using either existing label hierarchies or by querying GPT-3; (ii) perform the standard zero-shot CLIP procedure as though these subclasses were the labels of interest; (iii) map the predicted subclass back to its parent to produce the final prediction. Across numerous datasets with underlying hierarchical structure, CHiLS leads to improved accuracy in situations both with and without ground-truth hierarchical information. CHiLS is simple to implement within existing zero-shot pipelines and requires no additional training cost. Code is available at: https://github.com/acmi-lab/CHILS.
Efficient Exploration via Epistemic-Risk-Seeking Policy Optimization
Venue: Conference ICML 2023
Year: 2023

Exploration remains a key challenge in deep reinforcement learning (RL). Optimism in the face of uncertainty is a well-known heuristic with theoretical guarantees in the tabular setting, but how best to translate the principle to deep reinforcement learning, which involves online stochastic gradients and deep network function approximators, is not fully understood. In this paper we propose a new, differentiable optimistic objective that when optimized yields a policy that provably explores efficiently, with guarantees even under function approximation. Our new objective is a zero-sum two-player game derived from endowing the agent with an epistemic-risk-seeking utility function, which converts uncertainty into value and encourages the agent to explore uncertain states. We show that the solution to this game minimizes an upper bound on the regret, with the 'players' each attempting to minimize one component of a particular regret decomposition. We derive a new model-free algorithm which we call 'epistemic-risk-seeking actor-critic' (ERSAC), which is simply an application of simultaneous stochastic gradient ascent-descent to the game. Finally, we discuss a recipe for incorporating off-policy data and show that combining the risk-seeking objective with replay data yields a double benefit in terms of statistical efficiency. We conclude with some results showing good performance of a deep RL agent using the technique on the challenging 'DeepSea' environment, showing significant performance improvements even over other efficient exploration techniques, as well as improved performance on the Atari benchmark.
Provable Benefit of Mixup for Finding Optimal Decision Boundaries
Venue: Conference ICML 2023
Year: 2023

We investigate how pair-wise data augmentation techniques like Mixup affect the sample complexity of finding optimal decision boundaries in a binary linear classification problem. For a family of data distributions with a separability constant $κ$, we analyze how well the optimal classifier in terms of training loss aligns with the optimal one in test accuracy (i.e., Bayes optimal classifier). For vanilla training without augmentation, we uncover an interesting phenomenon named the curse of separability. As we increase $κ$ to make the data distribution more separable, the sample complexity of vanilla training increases exponentially in $κ$; perhaps surprisingly, the task of finding optimal decision boundaries becomes harder for more separable distributions. For Mixup training, we show that Mixup mitigates this problem by significantly reducing the sample complexity. To this end, we develop new concentration results applicable to $n^2$ pair-wise augmented data points constructed from $n$ independent data, by carefully dealing with dependencies between overlapping pairs. Lastly, we study other masking-based Mixup-style techniques and show that they can distort the training loss and make its minimizer converge to a suboptimal classifier in terms of test accuracy.