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Modeling the Data-Generating Process is Necessary for Out-of-Distribution Generalization

Jivat Neet Kaur, Emre Kiciman, Amit Sharma

Recent empirical studies on domain generalization (DG) have shown that DG algorithms that perform well on some distribution shifts fail on others, and no state-of-the-art DG algorithm performs consistently well on all shifts. Moreover, real-world data often has multiple distribution shifts over different attributes; hence we introduce multi-attribute distribution shift datasets and find that the accuracy of existing DG algorithms falls even further. To explain these results, we provide a formal characterization of generalization under multi-attribute shifts using a canonical causal graph. Based on the relationship between spurious attributes and the classification label, we obtain realizations of the canonical causal graph that characterize common distribution shifts and show that each shift entails different independence constraints over observed variables. As a result, we prove that any algorithm based on a single, fixed constraint cannot work well across all shifts, providing theoretical evidence for mixed empirical results on DG algorithms. Based on this insight, we develop Causally Adaptive Constraint Minimization (CACM), an algorithm that uses knowledge about the data-generating process to adaptively identify and apply the correct independence constraints for regularization. Results on fully synthetic, MNIST, small NORB, and Waterbirds datasets, covering binary and multi-valued attributes and labels, show that adaptive dataset-dependent constraints lead to the highest accuracy on unseen domains whereas incorrect constraints fail to do so. Our results demonstrate the importance of modeling the causal relationships inherent in the data-generating process.

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Scenario-based Question Answering with Interacting Contextual Properties

Haitian Sun, William W. Cohen, Ruslan Salakhutdinov

In the scenario-based Question Answering (QA) task, models are asked to find answers that are appropriate to the user scenarios associated with the question and identify information that is missing from the scenarios but is necessary for the answers to hold. Scenarios commonly include multiple properties of users, such as age, employment status, and income level for the question “How much can I claim from this benefit”. The properties relevant to a potential answer are given in a document, which will state conditions necessary for the answer to hold. Documents also may specify how conditions interact with each other, e.g. with text like “one of the conditions below must apply”. Although understanding the relationship between conditions is crucial for solving this challenging QA task, limited work has been done so far in modeling this. In this paper, we propose the T-Reasoner model, which solves this problem with three jointly learned modules: an entailment module which checks whether a condition has been satisfied by the scenario, a decoding module which locates eligible answers from documents, and a reasoning module which infers the relationship between conditions and performs a reasoning step to determine the logically consistent answers and identify missing conditions. T-Reasoner outperforms strong baselines on a synthetic scenario-based QA dataset and achieves a new state-of-the-art on two scenario-based QA benchmarks, outperforming the prior best models by 3-10 points.

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The Surprising Computational Power of Nondeterministic Stack RNNs

Brian DuSell, David Chiang

Traditional recurrent neural networks (RNNs) have a fixed, finite number of memory cells. In theory (assuming bounded range and precision), this limits their formal language recognition power to regular languages, and in practice, RNNs have been shown to be unable to learn many context-free languages (CFLs). In order to expand the class of languages RNNs recognize, prior work has augmented RNNs with a nondeterministic stack data structure, putting them on par with pushdown automata and increasing their language recognition power to CFLs. Nondeterminism is needed for recognizing all CFLs (not just deterministic CFLs), but in this paper, we show that nondeterminism and the neural controller interact to produce two more unexpected abilities. First, the nondeterministic stack RNN can recognize not only CFLs, but also many non-context-free languages. Second, it can recognize languages with much larger alphabet sizes than one might expect given the size of its stack alphabet. Finally, to increase the information capacity in the stack and allow it to solve more complicated tasks with large alphabet sizes, we propose a new version of the nondeterministic stack that simulates stacks of vectors rather than discrete symbols. We demonstrate perplexity improvements with this new model on the Penn Treebank language modeling benchmark.

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Modeling content creator incentives on algorithm-curated platforms

Jiri Hron, Karl Krauth, Michael Jordan, Niki Kilbertus, Sarah Dean

Content creators compete for user attention. Their reach crucially depends on algorithmic choices made by developers on online platforms. To maximize exposure, many creators adapt strategically, as evidenced by examples like the sprawling search engine optimization industry. This begets competition for the finite user attention pool. We formalize these dynamics in what we call an exposure game, a model of incentives induced by modern algorithms including factorization and (deep) two-tower architectures. We prove that seemingly innocuous algorithmic choices—e.g., non-negative vs. unconstrained factorization—significantly affect the existence and character of (Nash) equilibria in exposure games. We proffer use of creator behavior models like ours for an (ex-ante) pre-deployment audit. Such an audit can identify misalignment between desirable and incentivized content, and thus complement post-hoc measures like content filtering and moderation. To this end, we propose tools for numerically finding equilibria in exposure games, and illustrate results of an audit on the MovieLens and LastFM datasets. Among else, we find that the strategically produced content exhibits strong dependence between algorithmic exploration and content diversity, and between model expressivity and bias towards gender-based user and creator groups.

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Neural Lagrangian Schr\"{o}dinger Bridge: Diffusion Modeling for Population Dynamics

Takeshi Koshizuka, Issei Sato

Population dynamics is the study of temporal and spatial variation in the size of populations of organisms and is a major part of population ecology. One of the main difficulties in analyzing population dynamics is that we can only obtain observation data with coarse time intervals from fixed-point observations due to experimental costs or measurement constraints. Recently, modeling population dynamics by using continuous normalizing flows (CNFs) and dynamic optimal transport has been proposed to infer the sample trajectories from a fixed-point observed population. While the sample behavior in CNFs is deterministic, the actual sample in biological systems moves in an essentially random yet directional manner. Moreover, when a sample moves from point A to point B in dynamical systems, its trajectory typically follows the principle of least action in which the corresponding action has the smallest possible value. To satisfy these requirements of the sample trajectories, we formulate the Lagrangian Schrödinger bridge (LSB) problem and propose to solve it approximately by modeling the advection-diffusion process with regularized neural SDE. We also develop a model architecture that enables faster computation of the loss function. Experimental results show that the proposed method can efficiently approximate the population-level dynamics even for high-dimensional data and that using the prior knowledge introduced by the Lagrangian enables us to estimate the sample-level dynamics with stochastic behavior.

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Memorization-Dilation: Modeling Neural Collapse Under Noise

Duc Anh Nguyen, Ron Levie, Julian Lienen, Eyke Hüllermeier, Gitta Kutyniok

The notion of neural collapse refers to several emergent phenomena that have been empirically observed across various canonical classification problems. During the terminal phase of training a deep neural network, the feature embedding of all examples of the same class tend to collapse to a single representation, and the features of different classes tend to separate as much as possible. Neural collapse is often studied through a simplified model, called the layer-peeled model, in which the network is assumed to have ``infinite expressivity'' and can map each data point to any arbitrary representation. In this work we study a more realistic variant of the layer-peeled model, which takes the positivity of the features into account. Furthermore, we extend this model to also incorporate the limited expressivity of the network. Empirical evidence suggests that the memorization of noisy data points leads to a degradation (dilation) of the neural collapse. Using a model of the memorization-dilation (M-D) phenomenon, we show one mechanism by which different losses lead to different performances of the trained network on noisy data. Our proofs reveal why label smoothing, a modification of cross-entropy empirically observed to produce a regularization effect, leads to improved generalization in classification tasks.

当前中文摘要缺失,已展示英文摘要。

Quality-Similar Diversity via Population Based Reinforcement Learning

Shuang Wu, Jian Yao, Haobo Fu, Ye Tian, Chao Qian, Yaodong Yang, Qiang Fu, Yang Wei

Diversity is a growing research topic in Reinforcement Learning (RL). Previous research on diversity has mainly focused on promoting diversity to encourage exploration and thereby improve quality (the cumulative reward), maximizing diversity subject to quality constraints, or jointly maximizing quality and diversity, known as the quality-diversity problem. In this work, we present the quality-similar diversity problem that features diversity among policies of similar qualities. In contrast to task-agnostic diversity, we focus on task-specific diversity defined by a set of user-specified Behavior Descriptors (BDs). A BD is a scalar function of a trajectory (e.g., the fire action rate for an Atari game), which delivers the type of diversity the user prefers. To derive the gradient of the user-specified diversity with respect to a policy, which is not trivially available, we introduce a set of BD estimators and connect it with the classical policy gradient theorem. Based on the diversity gradient, we develop a population-based RL algorithm to adaptively and efficiently optimize the population diversity at multiple quality levels throughout training. Extensive results on MuJoCo and Atari demonstrate that our algorithm significantly outperforms previous methods in terms of generating user-specified diverse policies across different quality levels.

当前中文摘要缺失,已展示英文摘要。

User-Interactive Offline Reinforcement Learning

Phillip Swazinna, Steffen Udluft, Thomas Runkler

Offline reinforcement learning algorithms still lack trust in practice due to the risk that the learned policy performs worse than the original policy that generated the dataset or behaves in an unexpected way that is unfamiliar to the user. At the same time, offline RL algorithms are not able to tune their most important hyperparameter - the proximity of the learned policy to the original policy. We propose an algorithm that allows the user to tune this hyperparameter at runtime, thereby addressing both of the above mentioned issues simultaneously. This allows users to start with the original behavior and grant successively greater deviation, as well as stopping at any time when the policy deteriorates or the behavior is too far from the familiar one.

当前中文摘要缺失,已展示英文摘要。

Preference Transformer: Modeling Human Preferences using Transformers for RL

Changyeon Kim, Jongjin Park, Jinwoo Shin, Honglak Lee, Pieter Abbeel, Kimin Lee

Preference-based reinforcement learning (RL) provides a framework to train agents using human preferences between two behaviors. However, preference-based RL has been challenging to scale since it requires a large amount of human feedback to learn a reward function aligned with human intent. In this paper, we present Preference Transformer, a neural architecture that models human preferences using transformers. Unlike prior approaches assuming human judgment is based on the Markovian rewards which contribute to the decision equally, we introduce a new preference model based on the weighted sum of non-Markovian rewards. We then design the proposed preference model using a transformer architecture that stacks causal and bidirectional self-attention layers. We demonstrate that Preference Transformer can solve a variety of control tasks using real human preferences, while prior approaches fail to work. We also show that Preference Transformer can induce a well-specified reward and attend to critical events in the trajectory by automatically capturing the temporal dependencies in human decision-making. Code is available on the project website: https://sites.google.com/view/preference-transformer.

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Continuous-Discrete Convolution for Geometry-Sequence Modeling in Proteins

Hehe Fan, Zhangyang Wang, Yi Yang, Mohan Kankanhalli

The structure of proteins involves 3D geometry of amino acid coordinates and 1D sequence of peptide chains. The 3D structure exhibits irregularity because amino acids are distributed unevenly in Euclidean space and their coordinates are continuous variables. In contrast, the 1D structure is regular because amino acids are arranged uniformly in the chains and their sequential positions (orders) are discrete variables. Moreover, geometric coordinates and sequential orders are in two types of spaces and their units of length are incompatible. These inconsistencies make it challenging to capture the 3D and 1D structures while avoiding the impact of sequence and geometry modeling on each other. This paper proposes a Continuous-Discrete Convolution (CDConv) that uses irregular and regular approaches to model the geometry and sequence structures, respectively. Specifically, CDConv employs independent learnable weights for different regular sequential displacements but directly encodes geometric displacements due to their irregularity. In this way, CDConv significantly improves protein modeling by reducing the impact of geometric irregularity on sequence modeling. Extensive experiments on a range of tasks, including protein fold classification, enzyme reaction classification, gene ontology term prediction and enzyme commission number prediction, demonstrate the effectiveness of the proposed CDConv.

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Designing BERT for Convolutional Networks: Sparse and Hierarchical Masked Modeling

Keyu Tian, Yi Jiang, qishuai diao, Chen Lin, Liwei Wang, Zehuan Yuan

We identify and overcome two key obstacles in extending the success of BERT-style pre-training, or masked image modeling, to convolutional networks (convnets): (i) convolution operation cannot handle irregular, randomly masked input images; (ii) the single-scale nature of BERT pre-training is inconsistent with convnet’s hierarchical structure. For (i), we treat unmasked pixels as sparse voxels of 3D point clouds and use sparse convolution to encode. This is the first use of sparse convolution for 2D masked modeling. For (ii), we develop a hierarchical decoder to reconstruct images from multi-scale encoded features. Our method, called Sparse masKed modeling (SparK), is general: it can be used directly on any convolutional model without backbone modifications. We validate it on both classical (ResNet) and modern (ConvNeXt) models: on three downstream tasks, it surpasses both state-of-the-art contrastive learning and transformer-based masked modeling by similarly large margins (around +1.0%). The improvements on object detection and instance segmentation are more significant (up to +3.5%), validating the strong transferability of features learned. We also find SparK’s favorable scaling behavior by observing more gains on larger networks. All of these findings support the promising future of generative pre-training on convnets. Both codes and pre-trained models have been released at https://github.com/keyu-tian/SparK.

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Toeplitz Neural Network for Sequence Modeling

Zhen Qin, Xiaodong Han, Weixuan Sun, Bowen He, Dong Li, Dongxu Li, Yuchao Dai, Lingpeng Kong, Yiran Zhong

Sequence modeling has important applications in natural language processing and computer vision. Recently, the transformer-based models have shown strong performance on various sequence modeling tasks, which rely on attention to capture pairwise token relations, and position embedding to inject positional information. While showing good performance, the transformer models are inefficient to scale to long input sequences, mainly due to the quadratic space-time complexity of attention. To overcome this inefficiency, we propose to model sequences with a relative position encoded Toeplitz matrix and use a Toeplitz matrix-vector production trick to reduce the space-time complexity of the sequence modeling to log linear. A lightweight sub-network called relative position encoder is proposed to generate relative position coefficients with a fixed budget of parameters, enabling the proposed Toeplitz neural network to deal with varying sequence lengths. In addition, despite being trained on 512-token sequences, our model can extrapolate input sequence length up to 14K tokens in inference with consistent performance. Extensive experiments on autoregressive and bidirectional language modeling, image modeling, and the challenging Long-range Arena Benchmark show that our method achieves better performance than its competitors in most downstream tasks while being significantly faster.

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OTOv2: Automatic, Generic, User-Friendly

Tianyi Chen, Luming Liang, Tianyu DING, Zhihui Zhu, Ilya Zharkov

The existing model compression methods via structured pruning typically require complicated multi-stage procedures. Each individual stage necessitates numerous engineering efforts and domain-knowledge from the end-users which prevent their wider applications onto broader scenarios. We propose the second generation of Only-Train-Once (OTOv2), which first automatically trains and compresses a general DNN only once from scratch to produce a more compact model with competitive performance without fine-tuning. OTOv2 is automatic and pluggable into various deep learning applications, and requires almost minimal engineering efforts from the users. Methodologically, OTOv2 proposes two major improvements: (i) Autonomy: automatically exploits the dependency of general DNNs, partitions the trainable variables into Zero-Invariant Groups (ZIGs), and constructs the compressed model; and (ii) Dual Half-Space Projected Gradient (DHSPG): a novel optimizer to more reliably solve structured-sparsity problems. Numerically, we demonstrate the generality and autonomy of OTOv2 on a variety of model architectures such as VGG, ResNet, CARN, ConvNeXt, DenseNet and StackedUnets, the majority of which cannot be handled by other methods without extensive handcrafting efforts. Together with benchmark datasets including CIFAR10/100, DIV2K, Fashion-MNIST, SVNH and ImageNet, its effectiveness is validated by performing competitively or even better than the state-of-the-arts. The source code is available at https://github.com/tianyic/only_train_once.

当前中文摘要缺失,已展示英文摘要。

Augmentation Component Analysis: Modeling Similarity via the Augmentation Overlaps

Lu Han, Han-Jia Ye, De-Chuan Zhan

Self-supervised learning aims to learn a embedding space where semantically similar samples are close. Contrastive learning methods pull views of samples together and push different samples away, which utilizes semantic invariance of augmentation but ignores the relationship between samples. To better exploit the power of augmentation, we observe that semantically similar samples are more likely to have similar augmented views. Therefore, we can take the augmented views as a special description of a sample. In this paper, we model such a description as the augmentation distribution, and we call it augmentation feature. The similarity in augmentation feature reflects how much the views of two samples overlap and is related to their semantical similarity. Without computational burdens to explicitly estimate values of the augmentation feature, we propose Augmentation Component Analysis (ACA) with a contrastive-like loss to learn principal components and an on-the-fly projection loss to embed data. ACA equals an efficient dimension reduction by PCA and extracts low-dimensional embeddings, theoretically preserving the similarity of augmentation distribution between samples. Empirical results show that our method can achieve competitive results against various traditional contrastive learning methods on different benchmarks.

当前中文摘要缺失,已展示英文摘要。

Offline Reinforcement Learning via High-Fidelity Generative Behavior Modeling

Huayu Chen, Cheng Lu, Chengyang Ying, Hang Su, Jun Zhu

In offline reinforcement learning, weighted regression is a common method to ensure the learned policy stays close to the behavior policy and to prevent selecting out-of-sample actions. In this work, we show that due to the limited distributional expressivity of policy models, previous methods might still select unseen actions during training, which deviates from their initial motivation. To address this problem, we adopt a generative approach by decoupling the learned policy into two parts: an expressive generative behavior model and an action evaluation model. The key insight is that such decoupling avoids learning an explicitly parameterized policy model with a closed-form expression. Directly learning the behavior policy allows us to leverage existing advances in generative modeling, such as diffusion-based methods, to model diverse behaviors. As for action evaluation, we combine our method with an in-sample planning technique to further avoid selecting out-of-sample actions and increase computational efficiency. Experimental results on D4RL datasets show that our proposed method achieves competitive or superior performance compared with state-of-the-art offline RL methods, especially in complex tasks such as AntMaze. We also empirically demonstrate that our method can successfully learn from a heterogeneous dataset containing multiple distinctive but similarly successful strategies, whereas previous unimodal policies fail.

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Data Continuity Matters: Improving Sequence Modeling with Lipschitz Regularizer

Eric Qu, Xufang Luo, Dongsheng Li

Sequence modeling is a core problem in machine learning, and various neural networks have been designed to process different types of sequence data. However, few attempts have been made to understand the inherent data property of sequence data, neglecting the critical factor that may significantly affect the performance of sequence modeling. In this paper, we theoretically and empirically analyze a generic property of sequence data, i.e., continuity, and connect this property with the performance of deep models. First, we empirically observe that different kinds of models for sequence modeling prefer data with different continuity. Then, we theoretically analyze the continuity preference of different models in both time and frequency domains. To further utilize continuity to improve sequence modeling, we propose a simple yet effective Lipschitz Regularizer, that can flexibly adjust data continuity according to model preferences, and bring very little extra computational cost. Extensive experiments on various tasks demonstrate that altering data continuity via Lipschitz Regularizer can largely improve the performance of many deep models for sequence modeling.

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