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Deep Learning · Other Representation Learning

Daniil Kirilenko, Vitaliy Vorobyov, Aleksey Kovalev, Aleksandr Panov

Object-centric architectures usually apply a differentiable module to the entire feature map to decompose it into sets of entity representations called slots. Some of these methods structurally resemble clustering algorithms, where the cluster's center in latent space serves as a slot representation. Slot Attention is an example of such a method, acting as a learnable analog of the soft k-means algorithm. Our work employs a learnable clustering method based on the Gaussian Mixture Model. Unlike other approaches, we represent slots not only as centers of clusters but also incorporate information about the distance between clusters and assigned vectors, leading to more expressive slot representations. Our experiments demonstrate that using this approach instead of Slot Attention improves performance in object-centric scenarios, achieving state-of-the-art results in the set property prediction task.

Social Aspects · Fairness, Equity, Justice and Safety

Riku Togashi, Tatsushi Oka, Naoto Ohsaka, Tetsuro Morimura

Excellent tail performance is crucial for modern machine learning tasks, such as algorithmic fairness, class imbalance, and risk-sensitive decision making, as it ensures the effective handling of challenging samples within a dataset. Tail performance is also a vital determinant of success for personalized recommender systems to reduce the risk of losing users with low satisfaction. This study introduces a "safe" collaborative filtering method that prioritizes recommendation quality for less-satisfied users rather than focusing on the average performance. Our approach minimizes the conditional value at risk (CVaR), which represents the average risk over the tails of users' loss. To overcome computational challenges for web-scale recommender systems, we develop a robust yet practical algorithm that extends the most scalable method, implicit alternating least squares (iALS). Empirical evaluation on real-world datasets demonstrates the excellent tail performance of our approach while maintaining competitive computational efficiency.

Deep Learning · Generative Models and Autoencoders

Aya Abdelsalam Ismail, Julius Adebayo, Hector Corrada Bravo, Stephen Ra, Kyunghyun Cho

We introduce a generative model with an intrinsically interpretable layer---a concept bottleneck layer---that constrains the model to encode human-understandable concepts. The concept bottleneck layer partitions the generative model into three parts: the pre-concept bottleneck portion, the CB layer, and the post-concept bottleneck portion. To train CB generative models, we complement the traditional task-based loss function for training generative models with a concept loss and an orthogonality loss. The CB layer and these loss terms are model agnostic, which we demonstrate by applying the CB layer to three different families of generative models: generative adversarial networks, variational autoencoders, and diffusion models. On multiple datasets across different types of generative models, steering a generative model, with the CB layer, outperforms all baselines---in some cases, it is \textit{10 times} more effective. In addition, we show how the CB layer can be used to interpret the output of the generative model and debug the model during or post training.

Deep Learning · Graph Neural Networks

Yanbang Wang, Jon Kleinberg

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is prevalent in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we make reasonable assumptions to allow the help of some prior knowledge of the application domain. Under this problem setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is systematically evaluated on 8 real-world datasets under different settings, and exhibits consistently top performance. We also demonstrate benefits of the reconstructed hypergraphs through use cases of protein rankings and link predictions.

Reinforcement Learning · Batch/Offline

Zhepeng Cen, Zuxin Liu, Zitong Wang, Yihang Yao, Henry Lam, DING ZHAO

Offline reinforcement learning (RL) offers a promising direction for learning policies from pre-collected datasets without requiring further interactions with the environment. However, existing methods struggle to handle out-of-distribution (OOD) extrapolation errors, especially in sparse reward or scarce data settings. In this paper, we propose a novel training algorithm called Conservative Density Estimation (CDE), which addresses this challenge by explicitly imposing constraints on the state-action occupancy stationary distribution. CDE overcomes the limitations of existing approaches, such as the stationary distribution correction method, by addressing the support mismatch issue in marginal importance sampling. Our method achieves state-of-the-art performance on the D4RL benchmark. Notably, CDE consistently outperforms baselines in challenging tasks with sparse rewards or insufficient data, demonstrating the advantages of our approach in addressing the extrapolation error problem in offline RL.

Sherry Yang, Yilun Du, Seyed Ghasemipour, Jonathan Tompson, Leslie Kaelbling, Dale Schuurmans, Pieter Abbeel

Generative models trained on internet data have revolutionized how text, image, and video content can be created. Perhaps the next milestone for generative models is to simulate realistic experience in response to actions taken by humans, robots, and other interactive agents. Applications of a real-world simulator range from controllable content creation in games and movies, to training embodied agents purely in simulation that can be directly deployed in the real world. We explore the possibility of learning a universal simulator (UniSim) of real-world interaction through generative modeling. We first make the important observation that natural datasets available for learning a real-world simulator are often rich along different axes (e.g., abundant objects in image data, densely sampled actions in robotics data, and diverse movements in navigation data). With careful orchestration of diverse datasets, each providing a different aspect of the overall experience, UniSim can emulate how humans and agents interact with the world by simulating the visual outcome of both high-level instructions such as “open the drawer” and low-level controls such as “move by x,y” from otherwise static scenes and objects. There are numerous use cases for such a real-world simulator. As an example, we use UniSim to train both high-level vision-language planners and low-level reinforcement learning policies, each of which exhibit zero-shot real-world transfer after training purely in a learned real-world simulator. We also show that other types of intelligence such as video captioning models can benefit from training with simulated experience in UniSim, opening up even wider applications.

Reinforcement Learning

Zuxin Liu, Jesse Zhang, Kavosh Asadi, Yao Liu, DING ZHAO, Shoham Sabach, Rasool Fakoor

The full potential of large pretrained models remains largely untapped in control domains like robotics. This is mainly because of the scarcity of data and the computational challenges associated with training or fine-tuning these large models for such applications. Prior work mainly emphasizes either effective \emph{pretraining} of large models for decision-making or single-task adaptation. But real-world problems will require data-efficient, \emph{continual adaptation} for new control tasks. Recognizing these constraints, we introduce TAIL (Task-specific Adapters for Imitation Learning), a framework for efficient adaptation to new control tasks. Inspired by recent advancements in parameter-efficient fine-tuning in language domains, we explore efficient fine-tuning techniques---e.g., Bottleneck Adapters, P-Tuning, and Low-Rank Adaptation (LoRA)---in TAIL to adapt large pretrained models for new tasks with limited demonstration data. Our extensive experiments comparing prevalent parameter-efficient fine-tuning techniques and adaptation baselines suggest that TAIL with LoRA can achieve the best post-adaptation performance with only 1\% of the trainable parameters of full fine-tuning, while avoiding catastrophic forgetting and preserving adaptation plasticity in continual learning settings.

Deep Learning · Large Language Models

Zilong Wang, Hao Zhang, Chun-Liang Li, Julian M Eisenschlos, Vincent Perot, Zifeng Wang, Lesly Miculicich, Yasuhisa Fujii, Jingbo Shang, Chen-Yu Lee 等

Table-based reasoning with large language models (LLMs) is a promising direction to tackle many table understanding tasks, such as table-based question answering and fact verification. Compared with generic reasoning, table-based reasoning requires the extraction of underlying semantics from both free-form questions and semi-structured tabular data. Chain-of-Thought and its similar approaches incorporate the reasoning chain in the form of textual context, but it is still an open question how to effectively leverage tabular data in the reasoning chain. We propose the Chain-of-Table framework, where tabular data is explicitly used in the reasoning chain as a proxy for intermediate thoughts. Specifically, we guide LLMs using in-context learning to iteratively generate operations and update the table to represent a tabular reasoning chain. LLMs can therefore dynamically plan the next operation based on the results of the previous ones. This continuous evolution of the table forms a chain, showing the reasoning process for a given tabular problem. The chain carries structured information of the intermediate results, enabling more accurate and reliable predictions. Chain-of-Table achieves new state-of-the-art performance on WikiTQ, FeTaQA, and TabFact benchmarks across multiple LLM choices.

Reinforcement Learning

Xingyu Liu, Deepak Pathak, DING ZHAO

We investigate the problem of transferring an expert policy from a source robot to multiple different robots. To solve this problem, we propose a method named *Meta-Evolve* that uses continuous robot evolution to efficiently transfer the policy to each target robot through a set of tree-structured evolutionary robot sequences. The robot evolution tree allows the robot evolution paths to be shared, so our approach can significantly outperform naive one-to-one policy transfer. We present a heuristic approach to determine an optimized robot evolution tree. Experiments have shown that our method is able to improve the efficiency of one-to-three transfer of manipulation policy by up to 3.2$\times$ and one-to-six transfer of agile locomotion policy by 2.4$\times$ in terms of simulation cost over the baseline of launching multiple independent one-to-one policy transfers. Supplementary videos available at the project website: https://sites.google.com/view/meta-evolve.

Deep Learning · Graph Neural Networks

Wei Zhuo, Zemin Liu, Bryan Hooi, Bingsheng He, Guang Tan, Rizal Fathony, Jia Chen

Label imbalance and homophily-heterophily mixture are the fundamental problems encountered when applying Graph Neural Networks (GNNs) to Graph Fraud Detection (GFD) tasks. Existing GNN-based GFD models are designed to augment graph structure to accommodate the inductive bias of GNNs towards homophily, by excluding heterophilic neighbors during message passing. In our work, we argue that the key to applying GNNs for GFD is not to exclude but to {\em distinguish} neighbors with different labels. Grounded in this perspective, we introduce Partitioning Message Passing (PMP), an intuitive yet effective message passing paradigm expressly crafted for GFD. Specifically, in the neighbor aggregation stage of PMP, neighbors with different classes are aggregated with distinct node-specific aggregation functions. By this means, the center node can adaptively adjust the information aggregated from its heterophilic and homophilic neighbors, thus avoiding the model gradient being dominated by benign nodes which occupy the majority of the population. We theoretically establish a connection between the spatial formulation of PMP and spectral analysis to characterize that PMP operates an adaptive node-specific spectral graph filter, which demonstrates the capability of PMP to handle heterophily-homophily mixed graphs. Extensive experimental results show that PMP can significantly boost the performance on GFD tasks.

Deep Learning · Graph Neural Networks

Nan Yin, Mengzhu Wang, Zhenghan Chen, Li Shen, Huan Xiong, Bin Gu, Xiao Luo

Recently, numerous graph neural network methods have been developed to tackle domain shifts in graph data. However, these methods presuppose that unlabeled target graphs belong to categories previously seen in the source domain. This assumption could not hold true for in-the-wild target graphs. In this paper, we delve deeper to explore a more realistic problem open-set graph domain adaptation. Our objective is to not only identify target graphs from new categories but also accurately classify remaining target graphs into their respective categories under domain shift and label scarcity. To solve this challenging problem, we introduce a new method named Dual Structured Exploration with Mixup (DREAM). DREAM incorporates a graph-level representation learning branch as well as a subgraph-enhanced branch, which jointly explores graph topological structures from both global and local viewpoints. To maximize the use of unlabeled target graphs, we train these two branches simultaneously using posterior regularization to enhance their inter-module consistency. To accommodate the open-set setting, we amalgamate dissimilar samples to generate virtual unknown samples belonging to novel classes. Moreover, to alleviate domain shift, we establish a k nearest neighbor-based graph-of-graphs and blend multiple neighbors of each sample to produce cross-domain virtual samples for inter-domain consistency learning. Extensive experiments validate the effectiveness of the proposed DREAM in comparison to various state-of-the-art approaches in different settings.

Sherry Yang, Yilun Du, Bo Dai, Dale Schuurmans, Joshua B Tenenbaum, Pieter Abbeel

Large text-to-video models trained on internet-scale data have demonstrated exceptional capabilities in generating high-fidelity videos from arbitrary textual descriptions. However, similar to proprietary language models, large text-to-video models are often black boxes whose weight parameters are not publicly available, posing a significant challenge to adapting these models to specific domains such as robotics, animation, and personalized stylization. Inspired by how a large language model can be prompted to perform new tasks without access to the model weights, we investigate how to adapt a black-box pretrained text-to-video model to a variety of downstream domains without weight access to the pretrained model. In answering this question, we propose \emph{\methodname}, which leverages the score function of a large pretrained video diffusion model as a probabilistic prior to guide the generation of a task-specific small video model. Our experiments show that, by incorporating broad knowledge and fidelity of the pretrained model probabilistically, a small model with as few as 1.25% parameters of the pretrained model can generate high-quality yet domain-specific videos for a variety of downstream domains such as animation, egocentric modeling, and modeling of simulated and real-world robotics data. As large text-to-video models starting to become available as a service similar to large language models, we advocate for private institutions to expose scores of video diffusion models as outputs in addition to generated videos to allow flexible adaptation of large pretrained text-to-video models by the general public.

Deep Learning · Other Representation Learning

Binghui Xie, Yatao Bian, Kaiwen Zhou, Yongqiang Chen, Peilin Zhao, Bo Han, Wei Meng, James Cheng

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Applications · Computer Vision

Jie Xiao, Ruili Feng, Han Zhang, Zhiheng Liu, Zhantao Yang, Yurui Zhu, Xueyang Fu, Kai Zhu, Yu Liu, Zheng-Jun Zha

Image restoration poses a garners substantial interest due to the exponential surge in demands for recovering high-quality images from diverse mobile camera devices, adverse lighting conditions, suboptimal shooting environments, and frequent image compression for efficient transmission purposes. Yet this problem gathers significant challenges as people are blind to the type of restoration the images suffer, which, is usually the case in real-day scenarios and is most urgent to solve for this field. Current research, however, heavily relies on prior knowledge of the restoration type, either explicitly through rules or implicitly through the availability of degraded-clean image pairs to define the restoration process, and consumes considerable effort to collect image pairs of vast degradation types. This paper introduces DreamClean, a training-free method that needs no degradation prior knowledge but yields high-fidelity and generality towards various types of image degradation. DreamClean embeds the degraded image back to the latent of pre-trained diffusion models and re-sample it through a carefully designed diffusion process that mimics those generating clean images. Thanks to the rich image prior in diffusion models and our novel Variance Preservation Sampling (VPS) technique, DreamClean manages to handle various different degradation types at one time and reaches far more satisfied final quality than previous competitors. DreamClean relies on elegant theoretical supports to assure its convergence to clean image when VPS has appropriate parameters, and also enjoys superior experimental performance over various challenging tasks that could be overwhelming for previous methods when degradation prior is unavailable.

Applications · Time Series

Marco Federici, Patrick Forré, Ryota Tomioka, Bas Veeling

Markov processes are widely used mathematical models for describing dynamic systems in various fields. However, accurately simulating large-scale systems at long time scales is computationally expensive due to the short time steps required for accurate integration. In this paper, we introduce an inference process that maps complex systems into a simplified representational space and models large jumps in time. To achieve this, we propose Time-lagged Information Bottleneck (T-IB), a principled objective rooted in information theory, which aims to capture relevant temporal features while discarding high-frequency information to simplify the simulation task and minimize the inference error. Our experiments demonstrate that T-IB learns information-optimal representations for accurately modeling the statistical properties and dynamics of the original process at a selected time lag, outperforming existing time-lagged dimensionality reduction methods.

Rohan Subramani, Marcus Williams, Max Heitmann, Halfdan Holm, Charlie Griffin, Joar Skalse

Most algorithms in reinforcement learning (RL) require that the objective is formalised with a Markovian reward function. However, it is well-known that certain tasks cannot be expressed by means of an objective in the Markov rewards formalism, motivating the study of alternative objective-specification formalisms in RL such as Linear Temporal Logic and Multi-Objective Reinforcement Learning. To date, there has not yet been any thorough analysis of how these formalisms relate to each other in terms of their expressivity. We fill this gap in the existing literature by providing a comprehensive comparison of 17 salient objective-specification formalisms. We place these formalisms in a preorder based on their expressive power, and present this preorder as a Hasse diagram. We find a variety of limitations for the different formalisms, and argue that no formalism is both dominantly expressive and straightforward to optimise with current techniques. For example, we prove that each of Regularised RL, (Outer) Nonlinear Markov Rewards, Reward Machines, Linear Temporal Logic, and Limit Average Rewards can express a task that the others cannot. The significance of our results is twofold. First, we identify important expressivity limitations to consider when specifying objectives for policy optimization. Second, our results highlight the need for future research which adapts reward learning to work with a greater variety of formalisms, since many existing reward learning methods assume that the desired objective takes a Markovian form. Our work contributes towards a more cohesive understanding of the costs and benefits of different RL objective-specification formalisms.

Tianzhe Chu, Shengbang Tong, Tianjiao Ding, Xili Dai, Benjamin Haeffele, Rene Vidal, Yi Ma

The advent of large pre-trained models has brought about a paradigm shift in both visual representation learning and natural language processing. However, clustering unlabeled images, as a fundamental and classic machine learning problem, still lacks an effective solution, particularly for large-scale datasets. In this paper, we propose a novel image clustering pipeline that leverages the powerful feature representation of large pre-trained models such as CLIP and cluster images effectively and efficiently at scale. We first developed a novel algorithm to estimate the number of clusters in a given dataset. We then show that the pre-trained features are significantly more structured by further optimizing the rate reduction objective. The resulting features may significantly improve the clustering accuracy, e.g., from 57\% to 66\% on ImageNet-1k. Furthermore, by leveraging CLIP's multimodality bridge between image and text, we develop a simple yet effective self-labeling algorithm that produces meaningful text labels for the clusters. Through extensive experiments, we show that our pipeline works well on standard datasets such as CIFAR-10, CIFAR-100, and ImageNet-1k. It also extends to datasets without predefined labels, such as LAION-Aesthetics and WikiArts.

Deep Learning · Large Language Models

Rhys Gould, Euan Ong, George Ogden, Arthur Conmy

In this work we describe successor heads: attention heads that increment tokens with a natural ordering, such as numbers, months, and days.For example, successor heads increment 'Monday' into 'Tuesday'.We explain the successor head behavior with an approach rooted in mechanistic interpretability, the field that aims to explain how models complete tasks in human-understandable terms.Existing research in this area has struggled to find recurring, mechanistically interpretable large language model (LLM) components beyond small toy models. Further, existing results have led to very little insight to explain the internals of the larger models that are used in practice.In this paper, we analyze the behavior of successor heads in LLMs and find that they implement abstract representations that are common to different architectures. Successor heads form in LLMs with as few as 31 million parameters, and at least as many as 12 billion parameters, such as GPT-2, Pythia, and Llama-2.We find a set of 'mod 10' features that underlie how successor heads increment in LLMs across different architectures and sizes.We perform vector arithmetic with these features to edit head behavior and provide insights into numeric representations within LLMs. Additionally, we study the behavior of successor heads on natural language data, where we find that successor heads are important for achieving a low loss on examples involving succession, and also identify interpretable polysemanticity in a Pythia successor head.

Deep Learning · Self-Supervised Learning

Amitis Shidani, R Devon Hjelm, Jason Ramapuram, Russell Webb, Eeshan Gunesh Dhekane, Dan Busbridge

Contrastive learning typically matches pairs of related views among a number of unrelated negative views. Views can be generated (e.g. by augmentations) or be observed. We investigate matching when there are more than two related views which we call poly-view tasks,and derive new representation learning objectives using information maximization and sufficient statistics. We show that with unlimited computation, one should maximize the number of related views, and with a fixed compute budget, it is beneficial to decrease the number of unique samples whilst increasing the number of views of those samples. In particular, poly-view contrastive models trained for 128 epochs with batch size 256 outperform SimCLR trained for 1024 epochs at batch size 4096 on ImageNet1k, challenging the belief that contrastive models require large batch sizes and many training epochs.

Theory · Learning Theory

seyed amir hossein saberi, Amir Najafi, Alireza Heidari, Mohammad Hosein Movasaghinia, Abolfazl Motahari, Babak HosseinKhalaj

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in $\mathbb{R}^d$, where in addition to the $m$ independent and labeled samples from the true distribution, a set of $n$ (usually with $n\gg m$) out of domain and unlabeled samples are gievn as well. Using only the labeled data, it is known that the generalization error can be bounded by $\propto\left(d/m\right)^{1/2}$. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the "cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.