ICML 2023 论文列表

Community detection is a fundamental task in network analysis. Learning underlying network structures has brought deep insights into the understanding of complex systems. While many methods have focused on clustering nodes into blocks, few accounts for the fact that interactions may exhibit edge-level clustering, which we call categories. Real network data often arise via a series of interactions. Interactions in complex systems can often be clustered into different categories and node-level community structures that depend on the category. In this paper, we introduce a category-and-block edge exchangeable model (CataBEEM) to study interaction networks with joint latent interaction-level category and node-level community structures. In particular, the proposed method models the network from the interaction process perspective and allows the incorporation of prior knowledge from auxiliary interaction-wise information. We derive an efficient variational inference algorithm that can be applied to networks consisting of millions of interactions and provide the theoretical bound of the misspecification rate. We demonstrate the effectiveness of our method in various simulation settings and apply the method to TalkLife data, a large-scale online peer-to-peer support network. We show CataBEEM detects more temporally consistent community structures and has better predictions than other methods.

Current self-supervised learning algorithms are often modality-specific and require large amounts of computational resources. To address these issues, we increase the training efficiency of data2vec, a learning objective that generalizes across several modalities. We do not encode masked tokens, use a fast convolutional decoder and amortize the effort to build teacher representations. data2vec 2.0 benefits from the rich contextualized target representations introduced in data2vec which enable a fast self-supervised learner. Experiments on ImageNet-1K image classification show that data2vec 2.0 matches the accuracy of Masked Autoencoders in 16.4x lower pre-training time, on Librispeech speech recognition it performs as well as wav2vec 2.0 in 10.6x less time, and on GLUE natural language understanding it matches a retrained RoBERTa model in half the time. Trading some speed for accuracy results in ImageNet-1K top-1 accuracy of 86.8% with a ViT-L model trained for 150 epochs.

Recently, reward-conditioned reinforcement learning (RCRL) has gained popularity due to its simplicity, flexibility, and off-policy nature. However, we will show that current RCRL approaches are fundamentally limited and fail to address two critical challenges of RCRL -- improving generalization on high reward-to-go (RTG) inputs, and avoiding out-of-distribution (OOD) RTG queries during testing time. To address these challenges when training vanilla RCRL architectures, we propose Bayesian Reparameterized RCRL (BR-RCRL), a novel set of inductive biases for RCRL inspired by Bayes' theorem. BR-RCRL removes a core obstacle preventing vanilla RCRL from generalizing on high RTG inputs -- a tendency that the model treats different RTG inputs as independent values, which we term ``RTG Independence". BR-RCRL also allows us to design an accompanying adaptive inference method, which maximizes total returns while avoiding OOD queries that yield unpredictable behaviors in vanilla RCRL methods. We show that BR-RCRL achieves state-of-the-art performance on the Gym-Mujoco and Atari offline RL benchmarks, improving upon vanilla RCRL by up to 11%.

Large language models have achieved impressive performance on various natural language processing tasks. However, so far they have been evaluated primarily on benchmarks where all information in the input context is relevant for solving the task. In this work, we investigate the *distractibility* of large language models, i.e., how the model prediction can be distracted by irrelevant context. In particular, we introduce Grade-School Math with Irrelevant Context (GSM-IC), an arithmetic reasoning dataset with irrelevant information in the problem description. We use this benchmark to measure the distractibility of different prompting techniques for large language models, and find that the model is easily distracted by irrelevant information. We also identify several approaches for mitigating this deficiency, such as decoding with self-consistency and adding to the prompt an instruction that tells the language model to ignore the irrelevant information.

We provide an efficient implementation of the backpropagation algorithm, specialized to the case where the weights of the neural network being trained are _sparse_. Our algorithm is general, as it applies to arbitrary (unstructured) sparsity and common layer types (e.g., convolutional or linear). We provide a fast vectorized implementation on commodity CPUs, and show that it can yield speedups in end-to-end runtime experiments, both in transfer learning using already-sparsified networks, and in training sparse networks from scratch. Thus, our results provide the first support for sparse training on commodity hardware.

Learning in MDPs with highly complex state representations is currently possible due to multiple advancements in reinforcement learning algorithm design. However, this incline in complexity, and furthermore the increase in the dimensions of the observation came at the cost of volatility that can be taken advantage of via adversarial attacks (i.e. moving along worst-case directions in the observation space). To solve this policy instability problem we propose a novel method to detect the presence of these non-robust directions via local quadratic approximation of the deep neural policy loss. Our method provides a theoretical basis for the fundamental cut-off between safe observations and adversarial observations. Furthermore, our technique is computationally efficient, and does not depend on the methods used to produce the worst-case directions. We conduct extensive experiments in the Arcade Learning Environment with several different adversarial attack techniques. Most significantly, we demonstrate the effectiveness of our approach even in the setting where non-robust directions are explicitly optimized to circumvent our proposed method.

Interpretable time series prediction is crucial for safety-critical areas such as healthcare and autonomous driving. Most existing methods focus on interpreting predictions by assigning important scores to segments of time series. In this paper, we take a different and more challenging route and aim at developing a self-interpretable model, dubbed Counterfactual Time Series (CounTS), which generates counterfactual and actionable explanations for time series predictions. Specifically, we formalize the problem of time series counterfactual explanations, establish associated evaluation protocols, and propose a variational Bayesian deep learning model equipped with counterfactual inference capability of time series abduction, action, and prediction. Compared with state-of-the-art baselines, our self-interpretable model can generate better counterfactual explanations while maintaining comparable prediction accuracy.

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.

Integer Linear Programs (ILPs) are powerful tools for modeling and solving a large number of combinatorial optimization problems. Recently, it has been shown that Large Neighborhood Search (LNS), as a heuristic algorithm, can find high-quality solutions to ILPs faster than Branch and Bound. However, how to find the right heuristics to maximize the performance of LNS remains an open problem. In this paper, we propose a novel approach, CL-LNS, that delivers state-of-the-art anytime performance on several ILP benchmarks measured by metrics including the primal gap, the primal integral, survival rates and the best performing rate. Specifically, CL-LNS collects positive and negative solution samples from an expert heuristic that is slow to compute and learns a more efficient one with contrastive learning. We use graph attention networks and a richer set of features to further improve its performance.

We propose Beam Tree Recursive Cell (BT-Cell) - a backpropagation-friendly framework to extend Recursive Neural Networks (RvNNs) with beam search for latent structure induction. We further extend this framework by proposing a relaxation of the hard top-$k$ operators in beam search for better propagation of gradient signals. We evaluate our proposed models in different out-of-distribution splits in both synthetic and realistic data. Our experiments show that BT-Cell achieves near-perfect performance on several challenging structure-sensitive synthetic tasks like ListOps and logical inference while maintaining comparable performance in realistic data against other RvNN-based models. Additionally, we identify a previously unknown failure case for neural models in generalization to unseen number of arguments in ListOps. The code is available at: https://github.com/JRC1995/BeamTreeRecursiveCells.

We provide a theoretical framework for Reinforcement Learning with Human Feedback (RLHF). We show that when the underlying true reward is linear, under both Bradley-Terry-Luce (BTL) model (pairwise comparison) and Plackett-Luce (PL) model ($K$-wise comparison), MLE converges under certain semi-norm for the family of linear reward. On the other hand, when training a policy based on the learned reward model, we show that MLE fails while a pessimistic MLE provides policies with good performance under certain coverage assumption. We also show that under the PL model, both the true MLE and a different MLE which splits the $K$-wise comparison into pairwise comparisons converge, while the true MLE is asymptotically more efficient. Our results validate the empirical success of the existing RLHF algorithms, and provide new insights for algorithm design. Our analysis can also be applied for the problem of online RLHF and inverse reinforcement learning.

Novel Class Discovery (NCD) aims at inferring novel classes in an unlabeled set by leveraging prior knowledge from a labeled set with known classes. Despite its importance, there is a lack of theoretical foundations for NCD. This paper bridges the gap by providing an analytical framework to formalize and investigate when and how known classes can help discover novel classes. Tailored to the NCD problem, we introduce a graph-theoretic representation that can be learned by a novel NCD Spectral Contrastive Loss (NSCL). Minimizing this objective is equivalent to factorizing the graph's adjacency matrix, which allows us to derive a provable error bound and provide the sufficient and necessary condition for NCD. Empirically, NSCL can match or outperform several strong baselines on common benchmark datasets, which is appealing for practical usage while enjoying theoretical guarantees.

During the recent years the interest of optimization and machine learning communities in high-probability convergence of stochastic optimization methods has been growing. One of the main reasons for this is that high-probability complexity bounds are more accurate and less studied than in-expectation ones. However, SOTA high-probability non-asymptotic convergence results are derived under strong assumptions such as boundedness of the gradient noise variance or of the objective's gradient itself. In this paper, we propose several algorithms with high-probability convergence results under less restrictive assumptions. In particular, we derive new high-probability convergence results under the assumption that the gradient/operator noise has bounded central $\alpha$-th moment for $\alpha \in (1,2]$ in the following setups: (i) smooth non-convex / Polyak-Lojasiewicz / convex / strongly convex / quasi-strongly convex minimization problems, (ii) Lipschitz / star-cocoercive and monotone / quasi-strongly monotone variational inequalities. These results justify the usage of the considered methods for solving problems that do not fit standard functional classes studied in stochastic optimization.

Out-of-distribution generalization is challenging for non-participating clients of federated learning under distribution shifts. A proven strategy is to explore those invariant relationships between input and target variables, working equally well for non-participating clients. However, learning invariant relationships is often in an explicit manner from data, representation, and distribution, which violates the federated principles of privacy-preserving and limited communication. In this paper, we propose FedIIR, which implicitly learns invariant relationships from parameter for out-of-distribution generalization, adhering to the above principles. Specifically, we utilize the prediction disagreement to quantify invariant relationships and implicitly reduce it through inter-client gradient alignment. Theoretically, we demonstrate the range of non-participating clients to which FedIIR is expected to generalize and present the convergence results for FedIIR in the massively distributed with limited communication. Extensive experiments show that FedIIR significantly outperforms relevant baselines in terms of out-of-distribution generalization of federated learning.

Recent score-based diffusion models (SBDMs) show promising results in unpaired image-to-image translation (I2I). However, existing methods, either energy-based or statistically-based, provide no explicit form of the interfered intermediate generative distributions. This work presents a new score-decomposed diffusion model (SDDM) on manifolds to explicitly optimize the tangled distributions during image generation. SDDM derives manifolds to make the distributions of adjacent time steps separable and decompose the score function or energy guidance into an image "denoising" part and a content "refinement" part. To refine the image in the same noise level, we equalize the refinement parts of the score function and energy guidance, which permits multi-objective optimization on the manifold. We also leverage the block adaptive instance normalization module to construct manifolds with lower dimensions but still concentrated with the perturbed reference image. SDDM outperforms existing SBDM-based methods with much fewer diffusion steps on several I2I benchmarks.

The study of universal approximation properties (UAP) for neural networks (NN) has a long history. When the network width is unlimited, only a single hidden layer is sufficient for UAP. In contrast, when the depth is unlimited, the width for UAP needs to be not less than the critical width $w^*_{\min}=\max(d_x,d_y)$, where $d_x$ and $d_y$ are the dimensions of the input and output, respectively. Recently, (Cai, 2022) shows that a leaky-ReLU NN with this critical width can achieve UAP for $L^p$ functions on a compact domain $\mathcal{K}$, *i.e.,* the UAP for $L^p(\mathcal{K},\mathbb{R}^{d_y})$. This paper examines a uniform UAP for the function class $C(\mathcal{K},\mathbb{R}^{d_y})$ and gives the exact minimum width of the leaky-ReLU NN as $w_{\min}=\max(d_x+1,d_y)+1_{d_y=d_x+1}$, which involves the effects of the output dimensions. To obtain this result, we propose a novel lift-flow-discretization approach that shows that the uniform UAP has a deep connection with topological theory.

Domain adaptation in RL mainly deals with the changes of observation when transferring the policy to a new environment. Many traditional approaches of domain adaptation in RL manage to learn a mapping function between the source and target domain in explicit or implicit ways. However, they typically require access to abundant data from the target domain. Besides, they often rely on visual clues to learn the mapping function and may fail when the source domain looks quite different from the target domain. To address these problems, in this paper, we propose a novel framework Online Prototype Alignment (OPA) to learn the mapping function based on the functional similarity of elements and is able to achieve few-shot policy transfer within only several episodes. The key insight of OPA is to introduce an exploration mechanism that can interact with the unseen elements of the target domain in an efficient and purposeful manner, and then connect them with the seen elements in the source domain according to their functionalities (instead of visual clues). Experimental results show that when the target domain looks visually different from the source domain, OPA can achieve better transfer performance even with much fewer samples from the target domain, outperforming prior methods.

Systems consisting of interacting agents are prevalent in the world, ranging from dynamical systems in physics to complex biological networks. To build systems which can interact robustly in the real world, it is thus important to be able to infer the precise interactions governing such systems. Existing approaches typically discover such interactions by explicitly modeling the feed-forward dynamics of the trajectories. In this work, we propose Neural Interaction Inference with Potentials (NIIP) as an alternative approach to discover such interactions that enables greater flexibility in trajectory modeling: it discovers a set of relational potentials, represented as energy functions, which when minimized reconstruct the original trajectory. NIIP assigns low energy to the subset of trajectories which respect the relational constraints observed. We illustrate that with these representations NIIP displays unique capabilities in test-time. First, it allows trajectory manipulation, such as interchanging interaction types across separately trained models, as well as trajectory forecasting. Additionally, it allows adding external hand-crafted potentials at test-time. Finally, NIIP enables the detection of out-of-distribution samples and anomalies without explicit training.

There are strong incentives to build classification systems that show outstanding performance on various datasets and benchmarks. This can encourage a narrow focus on models and the performance metrics used to evaluate and compare them—resulting in a growing body of literature to evaluate and compare _metrics_. This paper strives for a more balanced perspective on binary classifier performance metrics by showing how uncertainty in these metrics can easily eclipse differences in empirical performance. We emphasise the discrete nature of confusion matrices and show how they can be well represented in a 3D lattice whose cross-sections form the space of receiver operating characteristic (ROC) curves. We develop novel interactive visualisations of performance metric contours within (and beyond) ROC space, showing the discrete probability mass functions of true and false positive rates and how these relate to performance metric distributions. We aim to raise awareness of the substantial uncertainty in performance metric estimates that can arise when classifiers are evaluated on empirical datasets and benchmarks, and that performance claims should be tempered by this understanding.