OpenRaiser/Intern-Atlas huggingface dataset:
Pitfall of Optimism: Distributional Reinforcement Learning by Randomizing Risk Criterion
Venue: Conference NeurIPS 2023
Year: 2023

Distributional reinforcement learning algorithms have attempted to utilize estimated uncertainty for exploration, such as optimism in the face of uncertainty. However, using the estimated variance for optimistic exploration may cause biased data collection and hinder convergence or performance. In this paper, we present a novel distributional reinforcement learning algorithm that selects actions by randomizing risk criterion to avoid one-sided tendency on risk. We provide a perturbed distributional Bellman optimality operator by distorting the risk measure and prove the convergence and optimality of the proposed method with the weaker contraction property. Our theoretical results support that the proposed method does not fall into biased exploration and is guaranteed to converge to an optimal return. Finally, we empirically show that our method outperforms other existing distribution-based algorithms in various environments including Atari 55 games.
Efficient Meta Neural Heuristic for Multi-Objective Combinatorial Optimization
Venue: Conference NeurIPS 2023
Year: 2023

Recently, neural heuristics based on deep reinforcement learning have exhibited promise in solving multi-objective combinatorial optimization problems (MOCOPs). However, they are still struggling to achieve high learning efficiency and solution quality. To tackle this issue, we propose an efficient meta neural heuristic (EMNH), in which a meta-model is first trained and then fine-tuned with a few steps to solve corresponding single-objective subproblems. Specifically, for the training process, a (partial) architecture-shared multi-task model is leveraged to achieve parallel learning for the meta-model, so as to speed up the training; meanwhile, a scaled symmetric sampling method with respect to the weight vectors is designed to stabilize the training. For the fine-tuning process, an efficient hierarchical method is proposed to systematically tackle all the subproblems. Experimental results on the multi-objective traveling salesman problem (MOTSP), multi-objective capacitated vehicle routing problem (MOCVRP), and multi-objective knapsack problem (MOKP) show that, EMNH is able to outperform the state-of-the-art neural heuristics in terms of solution quality and learning efficiency, and yield competitive solutions to the strong traditional heuristics while consuming much shorter time.
Streaming Factor Trajectory Learning for Temporal Tensor Decomposition
Venue: Conference NeurIPS 2023
Year: 2023

Practical tensor data is often along with time information. Most existing temporal decomposition approaches estimate a set of fixed factors for the objects in each tensor mode, and hence cannot capture the temporal evolution of the objects' representation. More important, we lack an effective approach to capture such evolution from streaming data, which is common in real-world applications. To address these issues, we propose Streaming Factor Trajectory Learning for temporal tensor decomposition. We use Gaussian processes (GPs) to model the trajectory of factors so as to flexibly estimate their temporal evolution. To address the computational challenges in handling streaming data, we convert the GPs into a state-space prior by constructing an equivalent stochastic differential equation (SDE). We develop an efficient online filtering algorithm to estimate a decoupled running posterior of the involved factor states upon receiving new data. The decoupled estimation enables us to conduct standard Rauch-Tung-Striebel smoothing to compute the full posterior of all the trajectories in parallel, without the need for revisiting any previous data. We have shown the advantage of SFTL in both synthetic tasks and real-world applications. The code is available at {https://github.com/xuangu-fang/Streaming-Factor-Trajectory-Learning}.
DDF-HO: Hand-Held Object Reconstruction via Conditional Directed Distance Field
Venue: Conference NeurIPS 2023
Year: 2023

Reconstructing hand-held objects from a single RGB image is an important and challenging problem. Existing works utilizing Signed Distance Fields (SDF) reveal limitations in comprehensively capturing the complex hand-object interactions, since SDF is only reliable within the proximity of the target, and hence, infeasible to simultaneously encode local hand and object cues. To address this issue, we propose DDF-HO, a novel approach leveraging Directed Distance Field (DDF) as the shape representation. Unlike SDF, DDF maps a ray in 3D space, consisting of an origin and a direction, to corresponding DDF values, including a binary visibility signal determining whether the ray intersects the objects and a distance value measuring the distance from origin to target in the given direction. We randomly sample multiple rays and collect local to global geometric features for them by introducing a novel 2D ray-based feature aggregation scheme and a 3D intersection-aware hand pose embedding, combining 2D-3D features to model hand-object interactions. Extensive experiments on synthetic and real-world datasets demonstrate that DDF-HO consistently outperforms all baseline methods by a large margin, especially under Chamfer Distance, with about 80% leap forward. Codes are available at https://github.com/ZhangCYG/DDFHO.
Effective Targeted Attacks for Adversarial Self-Supervised Learning
Venue: Conference NeurIPS 2023
Year: 2023

Recently, unsupervised adversarial training (AT) has been highlighted as a means of achieving robustness in models without any label information. Previous studies in unsupervised AT have mostly focused on implementing self-supervised learning (SSL) frameworks, which maximize the instance-wise classification loss to generate adversarial examples. However, we observe that simply maximizing the self-supervised training loss with an untargeted adversarial attack often results in generating ineffective adversaries that may not help improve the robustness of the trained model, especially for non-contrastive SSL frameworks without negative examples. To tackle this problem, we propose a novel positive mining for targeted adversarial attack to generate effective adversaries for adversarial SSL frameworks. Specifically, we introduce an algorithm that selects the most confusing yet similar target example for a given instance based on entropy and similarity, and subsequently perturbs the given instance towards the selected target. Our method demonstrates significant enhancements in robustness when applied to non-contrastive SSL frameworks, and less but consistent robustness improvements with contrastive SSL frameworks, on the benchmark datasets.
Statistical Guarantees for Variational Autoencoders using PAC-Bayesian Theory
Venue: Conference NeurIPS 2023
Year: 2023

Since their inception, Variational Autoencoders (VAEs) have become central in machine learning. Despite their widespread use, numerous questions regarding their theoretical properties remain open. Using PAC-Bayesian theory, this work develops statistical guarantees for VAEs. First, we derive the first PAC-Bayesian bound for posterior distributions conditioned on individual samples from the data-generating distribution. Then, we utilize this result to develop generalization guarantees for the VAE's reconstruction loss, as well as upper bounds on the distance between the input and the regenerated distributions. More importantly, we provide upper bounds on the Wasserstein distance between the input distribution and the distribution defined by the VAE's generative model.
Multi-Head Adapter Routing for Cross-Task Generalization
Venue: Conference NeurIPS 2023
Year: 2023

Parameter-efficient fine-tuning (PEFT) for cross-task generalization consists in pre-training adapters on a multi-task training set before few-shot adaptation to test tasks. Polytropon [Ponti et al., 2023] ($\texttt{Poly}$) jointly learns an inventory of adapters and a routing function that selects a (variable-size) subset of adapters for each task during both pre-training and few-shot adaptation. In this paper, we investigate the role that adapter routing plays in its success and design new variants based on our findings. First, we build on the intuition that finer-grained routing provides more expressivity. Hence, we propose $\texttt{MHR}$ (Multi-Head Routing) which combines subsets of adapter parameters and outperforms $\texttt{Poly}$ under a comparable parameter budget; by only fine-tuning the routing function and not the adapters ($\texttt{MHR}$-$z$) we achieve competitive performance with extreme parameter efficiency. Second, we find that $\texttt{Poly}$/$\texttt{MHR}$ performance is a result of better multi-task optimization, rather than modular inductive biases that facilitate adapter recombination and local adaptation, as previously hypothesized. In fact, we find that $\texttt{MHR}$ exhibits high gradient alignment between training tasks. We find that routing is most beneficial during multi-task pre-training rather than during few-shot adaptation and propose $\texttt{MHR}$-$μ$, which discards routing and fine-tunes the average of the pre-trained adapters on each downstream tasks. This establishes $\texttt{MHR}$-$μ$ as an effective method for single-adapter fine-tuning. We also show that $\texttt{MHR}$-$μ$ can be used as an effective zero-shot transfer method by training the average of the pre-trained adapters for a few additional steps on the multi-task training set: this yields gains up to 3% on absolute accuracy w.r.t. the baselines.
Better with Less: A Data-Active Perspective on Pre-Training Graph Neural Networks
Venue: Conference NeurIPS 2023
Year: 2023

Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to the massive amount of input data. In this paper, however, we identify the curse of big data phenomenon in graph pre-training: more training data do not necessarily lead to better downstream performance. Motivated by this observation, we propose a better-with-less framework for graph pre-training: fewer, but carefully chosen data are fed into a GNN model to enhance pre-training. The proposed pre-training pipeline is called the data-active graph pre-training (APT) framework, and is composed of a graph selector and a pre-training model. The graph selector chooses the most representative and instructive data points based on the inherent properties of graphs as well as predictive uncertainty. The proposed predictive uncertainty, as feedback from the pre-training model, measures the confidence level of the model in the data. When fed with the chosen data, on the other hand, the pre-training model grasps an initial understanding of the new, unseen data, and at the same time attempts to remember the knowledge learned from previous data. Therefore, the integration and interaction between these two components form a unified framework (APT), in which graph pre-training is performed in a progressive and iterative way. Experiment results show that the proposed APT is able to obtain an efficient pre-training model with fewer training data and better downstream performance.
Latent Diffusion for Language Generation
Venue: Conference NeurIPS 2023
Year: 2023

Diffusion models have achieved great success in modeling continuous data modalities such as images, audio, and video, but have seen limited use in discrete domains such as language. Recent attempts to adapt diffusion to language have presented diffusion as an alternative to existing pretrained language models. We view diffusion and existing language models as complementary. We demonstrate that encoder-decoder language models can be utilized to efficiently learn high-quality language autoencoders. We then demonstrate that continuous diffusion models can be learned in the latent space of the language autoencoder, enabling us to sample continuous latent representations that can be decoded into natural language with the pretrained decoder. We validate the effectiveness of our approach for unconditional, class-conditional, and sequence-to-sequence language generation. We demonstrate across multiple diverse data sets that our latent language diffusion models are significantly more effective than previous diffusion language models.
Self-Consistent Velocity Matching of Probability Flows
Venue: Conference NeurIPS 2023
Year: 2023

We present a discretization-free scalable framework for solving a large class of mass-conserving partial differential equations (PDEs), including the time-dependent Fokker-Planck equation and the Wasserstein gradient flow. The main observation is that the time-varying velocity field of the PDE solution needs to be self-consistent: it must satisfy a fixed-point equation involving the probability flow characterized by the same velocity field. Instead of directly minimizing the residual of the fixed-point equation with neural parameterization, we use an iterative formulation with a biased gradient estimator that bypasses significant computational obstacles with strong empirical performance. Compared to existing approaches, our method does not suffer from temporal or spatial discretization, covers a wider range of PDEs, and scales to high dimensions. Experimentally, our method recovers analytical solutions accurately when they are available and achieves superior performance in high dimensions with less training time compared to alternatives.
Domain Re-Modulation for Few-Shot Generative Domain Adaptation
Venue: Conference NeurIPS 2023
Year: 2023

In this study, we delve into the task of few-shot Generative Domain Adaptation (GDA), which involves transferring a pre-trained generator from one domain to a new domain using only a few reference images. Inspired by the way human brains acquire knowledge in new domains, we present an innovative generator structure called Domain Re-Modulation (DoRM). DoRM not only meets the criteria of high quality, large synthesis diversity, and cross-domain consistency, which were achieved by previous research in GDA, but also incorporates memory and domain association, akin to how human brains operate. Specifically, DoRM freezes the source generator and introduces new mapping and affine modules (M&A modules) to capture the attributes of the target domain during GDA. This process resembles the formation of new synapses in human brains. Consequently, a linearly combinable domain shift occurs in the style space. By incorporating multiple new M&A modules, the generator gains the capability to perform high-fidelity multi-domain and hybrid-domain generation. Moreover, to maintain cross-domain consistency more effectively, we introduce a similarity-based structure loss. This loss aligns the auto-correlation map of the target image with its corresponding auto-correlation map of the source image during training. Through extensive experiments, we demonstrate the superior performance of our DoRM and similarity-based structure loss in few-shot GDA, both quantitatively and qualitatively. The code will be available at https://github.com/wuyi2020/DoRM.
Transformers as Statisticians: Provable In-Context Learning with In-Context Algorithm Selection
Venue: Conference NeurIPS 2023
Year: 2023

Neural sequence models based on the transformer architecture have demonstrated remarkable \emph{in-context learning} (ICL) abilities, where they can perform new tasks when prompted with training and test examples, without any parameter update to the model. This work first provides a comprehensive statistical theory for transformers to perform ICL. Concretely, we show that transformers can implement a broad class of standard machine learning algorithms in context, such as least squares, ridge regression, Lasso, learning generalized linear models, and gradient descent on two-layer neural networks, with near-optimal predictive power on various in-context data distributions. Using an efficient implementation of in-context gradient descent as the underlying mechanism, our transformer constructions admit mild size bounds, and can be learned with polynomially many pretraining sequences. Building on these ``base'' ICL algorithms, intriguingly, we show that transformers can implement more complex ICL procedures involving \emph{in-context algorithm selection}, akin to what a statistician can do in real life -- A \emph{single} transformer can adaptively select different base ICL algorithms -- or even perform qualitatively different tasks -- on different input sequences, without any explicit prompting of the right algorithm or task. We both establish this in theory by explicit constructions, and also observe this phenomenon experimentally. In theory, we construct two general mechanisms for algorithm selection with concrete examples: pre-ICL testing, and post-ICL validation. As an example, we use the post-ICL validation mechanism to construct a transformer that can perform nearly Bayes-optimal ICL on a challenging task -- noisy linear models with mixed noise levels. Experimentally, we demonstrate the strong in-context algorithm selection capabilities of standard transformer architectures.
Arbitrarily Scalable Environment Generators via Neural Cellular Automata
Venue: Conference NeurIPS 2023
Year: 2023

We study the problem of generating arbitrarily large environments to improve the throughput of multi-robot systems. Prior work proposes Quality Diversity (QD) algorithms as an effective method for optimizing the environments of automated warehouses. However, these approaches optimize only relatively small environments, falling short when it comes to replicating real-world warehouse sizes. The challenge arises from the exponential increase in the search space as the environment size increases. Additionally, the previous methods have only been tested with up to 350 robots in simulations, while practical warehouses could host thousands of robots. In this paper, instead of optimizing environments, we propose to optimize Neural Cellular Automata (NCA) environment generators via QD algorithms. We train a collection of NCA generators with QD algorithms in small environments and then generate arbitrarily large environments from the generators at test time. We show that NCA environment generators maintain consistent, regularized patterns regardless of environment size, significantly enhancing the scalability of multi-robot systems in two different domains with up to 2,350 robots. Additionally, we demonstrate that our method scales a single-agent reinforcement learning policy to arbitrarily large environments with similar patterns. We include the source code at \url{https://github.com/lunjohnzhang/warehouse_env_gen_nca_public}.
FAMO: Fast Adaptive Multitask Optimization
Venue: Conference NeurIPS 2023
Year: 2023

One of the grand enduring goals of AI is to create generalist agents that can learn multiple different tasks from diverse data via multitask learning (MTL). However, in practice, applying gradient descent (GD) on the average loss across all tasks may yield poor multitask performance due to severe under-optimization of certain tasks. Previous approaches that manipulate task gradients for a more balanced loss decrease require storing and computing all task gradients ($\mathcal{O}(k)$ space and time where $k$ is the number of tasks), limiting their use in large-scale scenarios. In this work, we introduce Fast Adaptive Multitask Optimization FAMO, a dynamic weighting method that decreases task losses in a balanced way using $\mathcal{O}(1)$ space and time. We conduct an extensive set of experiments covering multi-task supervised and reinforcement learning problems. Our results indicate that FAMO achieves comparable or superior performance to state-of-the-art gradient manipulation techniques while offering significant improvements in space and computational efficiency. Code is available at \url{https://github.com/Cranial-XIX/FAMO}.
A Theory of Multimodal Learning
Venue: Conference NeurIPS 2023
Year: 2023

Human perception of the empirical world involves recognizing the diverse appearances, or 'modalities', of underlying objects. Despite the longstanding consideration of this perspective in philosophy and cognitive science, the study of multimodality remains relatively under-explored within the field of machine learning. Nevertheless, current studies of multimodal machine learning are limited to empirical practices, lacking theoretical foundations beyond heuristic arguments. An intriguing finding from the practice of multimodal learning is that a model trained on multiple modalities can outperform a finely-tuned unimodal model, even on unimodal tasks. This paper provides a theoretical framework that explains this phenomenon, by studying generalization properties of multimodal learning algorithms. We demonstrate that multimodal learning allows for a superior generalization bound compared to unimodal learning, up to a factor of $O(\sqrt{n})$, where $n$ represents the sample size. Such advantage occurs when both connection and heterogeneity exist between the modalities.
Learning Provably Robust Estimators for Inverse Problems via Jittering
Venue: Conference NeurIPS 2023
Year: 2023

Deep neural networks provide excellent performance for inverse problems such as denoising. However, neural networks can be sensitive to adversarial or worst-case perturbations. This raises the question of whether such networks can be trained efficiently to be worst-case robust. In this paper, we investigate whether jittering, a simple regularization technique that adds isotropic Gaussian noise during training, is effective for learning worst-case robust estimators for inverse problems. While well studied for prediction in classification tasks, the effectiveness of jittering for inverse problems has not been systematically investigated. In this paper, we present a novel analytical characterization of the optimal $\ell_2$-worst-case robust estimator for linear denoising and show that jittering yields optimal robust denoisers. Furthermore, we examine jittering empirically via training deep neural networks (U-nets) for natural image denoising, deconvolution, and accelerated magnetic resonance imaging (MRI). The results show that jittering significantly enhances the worst-case robustness, but can be suboptimal for inverse problems beyond denoising. Moreover, our results imply that training on real data which often contains slight noise is somewhat robustness enhancing.
Black-box Backdoor Defense via Zero-shot Image Purification
Venue: Conference NeurIPS 2023
Year: 2023

Backdoor attacks inject poisoned samples into the training data, resulting in the misclassification of the poisoned input during a model's deployment. Defending against such attacks is challenging, especially for real-world black-box models where only query access is permitted. In this paper, we propose a novel defense framework against backdoor attacks through Zero-shot Image Purification (ZIP). Our framework can be applied to poisoned models without requiring internal information about the model or any prior knowledge of the clean/poisoned samples. Our defense framework involves two steps. First, we apply a linear transformation (e.g., blurring) on the poisoned image to destroy the backdoor pattern. Then, we use a pre-trained diffusion model to recover the missing semantic information removed by the transformation. In particular, we design a new reverse process by using the transformed image to guide the generation of high-fidelity purified images, which works in zero-shot settings. We evaluate our ZIP framework on multiple datasets with different types of attacks. Experimental results demonstrate the superiority of our ZIP framework compared to state-of-the-art backdoor defense baselines. We believe that our results will provide valuable insights for future defense methods for black-box models. Our code is available at https://github.com/sycny/ZIP.