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Deep Learning · Other Representation Learning

Tianyu Du, Luca Melis, Ting Wang

We present ReMasker, a new method of imputing missing values in tabular data by extending the masked autoencoding framework. Compared with prior work, ReMasker is extremely simple -- besides the missing values (i.e., naturally masked), we randomly "re-mask" another set of values, optimize the autoencoder by reconstructing this re-masked set, and apply the trained model to predict the missing values; and yet highly effective -- with extensive evaluation on benchmark datasets, we show that ReMasker performs on par with or outperforms state-of-the-art methods in terms of both imputation fidelity and utility under various missingness settings, while its performance advantage often increases with the ratio of missing data. We further explore theoretical justification for its effectiveness, showing that ReMasker tends to learn missingness-invariant representations of tabular data. Our findings indicate that masked modeling represents a promising direction for further research on tabular data imputation. The code is publicly available.

Deep Learning · Robustness

Vijaya Raghavan T Ramkumar, Bahram Zonooz, Elahe Arani

Deep neural networks are susceptible to adversarial attacks, which can compromise their performance and accuracy. Adversarial Training (AT) has emerged as a popular approach for protecting neural networks against such attacks. However, a key challenge of AT is robust overfitting, where the network's robust performance on test data deteriorates with further training, thus hindering generalization. Motivated by the concept of active forgetting in the brain, we introduce a novel learning paradigm called "Forget to Mitigate Overfitting (FOMO)". FOMO alternates between the forgetting phase, which randomly forgets a subset of weights and regulates the model's information through weight reinitialization, and the relearning phase, which emphasizes learning generalizable features. Our experiments on benchmark datasets and adversarial attacks show that FOMO alleviates robust overfitting by significantly reducing the gap between the best and last robust test accuracy while improving the state-of-the-art robustness. Furthermore, FOMO provides a better trade-off between the standard and robust accuracy outperforming baseline adversarial methods. Finally, our framework is robust to AutoAttacks and increases generalization in many real-world scenarios.

Reinforcement Learning · Batch/Offline

Sinong Geng, Aldo Pacchiano, Andrey Kolobov, Ching-An Cheng

We propose **H**e**u**ristic **Bl**ending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

Applications · Robotics

Karan Mirakhor, Sourav Ghosh, DIPANJAN DAS, Brojeshwar Bhowmick

This paper presents a novel hierarchical task planner under partial observabilitythat empowers an embodied agent to use visual input to efficiently plan a sequenceof actions for simultaneous object search and rearrangement in an untidy room,to achieve a desired tidy state. The paper introduces (i) a novel Search Networkthat utilizes commonsense knowledge from large language models to find unseenobjects, (ii) a Deep RL network trained with proxy reward, along with (iii) a novelgraph-based state representation to produce a scalable and effective planner thatinterleaves object search and rearrangement to minimize the number of steps takenand overall traversal of the agent, as well as to resolve blocked goal and swapcases, and (iv) a sample-efficient cluster-biased sampling for simultaneous trainingof the proxy reward network along with the Deep RL network. Furthermore,the paper presents new metrics and a benchmark dataset - RoPOR, to measurethe effectiveness of rearrangement planning. Experimental results show that ourmethod significantly outperforms the state-of-the-art rearrangement methods Weihset al. (2021a); Gadre et al. (2022); Sarch et al. (2022); Ghosh et al. (2022).

Applications · Robotics

Lirui Wang, Yiyang Ling, Zhecheng Yuan, Mohit Shridhar, Chen Bao, Yuzhe Qin, Bailin Wang, Huazhe Xu, Xiaolong Wang

Collecting large amounts of real-world interaction data to train general robotic policies is often prohibitively expensive, thus motivating the use of simulation data. However, existing methods for data generation have generally focused on scene-level diversity (e.g., object instances and poses) rather than task-level diversity, due to the human effort required to come up with and verify novel tasks. This has made it challenging for policies trained on simulation data to demonstrate significant task-level generalization. In this paper, we propose to automatically generate rich simulation environments and expert demonstrations by exploiting a large language models' (LLM) grounding and coding ability. Our approach, dubbed GenSim, has two modes: goal-directed generation, wherein a target task is given to the LLM and the LLM proposes a task curriculum to solve the target task, and exploratory generation, wherein the LLM bootstraps from previous tasks and iteratively proposes novel tasks that would be helpful in solving more complex tasks. We use GPT4 to expand the existing benchmark by ten times to over 100 tasks, on which we conduct supervised finetuning and evaluate several LLMs including finetuned GPTs and Code Llama on code generation for robotic simulation tasks. Furthermore, we observe that LLMs-generated simulation programs can enhance task-level generalization significantly when used for multitask policy training. We further find that with minimal sim-to-real adaptation, the multitask policies pretrained on GPT4-generated simulation tasks exhibit stronger transfer to unseen long-horizon tasks in the real world and outperform baselines by 25%. See our project website (https://gen-sim.github.io) and demo (https://huggingface.co/spaces/Gen-Sim/Gen-Sim) for visualizations and open-source models and datasets.

Applications · Neuroscience, Cognitive Science

Yilong Xu, Yang Liu, Hao Sun

In nature, the behavior of many complex systems can be described by parsimonious math equations. Symbolic Regression (SR) is defined as the task of automatically distilling equations from limited data. Keen efforts have been placed on tackling this issue and demonstrated success in SR. However, there still exist bottlenecks that current methods struggle to break, when the expressions we need to explore tend toward infinity and especially when the underlying math formula is intricate. To this end, we propose a novel Reinforcement Symbolic Regression Machine (RSRM) that masters the capability of uncovering complex math equations from only scarce data. The RSRM model is composed of three key modules: (1) a Monte Carlo tree search (MCTS) agent, designed for exploration, that explores optimal math expression trees consisting of pre-defined math operators and variables, (2) a Double Q-learning block, designed for exploitation, that helps reduce the feasible search space of MCTS via properly understanding the distribution of reward, and (3) a modulated sub-tree discovery block that heuristically learns and defines new math operators to improve representation ability of math expression trees. Binding of these modules yields the SOTA performance of RSRM in SR as demonstrated by multiple benchmark datasets. The RSRM shows clear superiority over several representative baseline models.

Jiatao Gu, Shuangfei Zhai, Yizhe Zhang, Joshua Susskind, Navdeep Jaitly

Diffusion models are the de-facto approach for generating high-quality images and videos, but learning high-dimensional models remains a formidable task due to computational and optimization challenges. Existing methods often resort to training cascaded models in pixel space, or using a downsampled latent space of a separately trained auto-encoder. In this paper, we introduce Matryoshka Diffusion (MDM), an end-to-end framework for high-resolution image and video synthesis. We propose a diffusion process that denoises inputs at multiple resolutions jointly and uses a NestedUNet architecture where features and parameters for small-scale inputs are nested within those of large scales. In addition, MDM enables a progressive training schedule from lower to higher resolutions, which leads to significant improvements in optimization for high-resolution generation. We demonstrate the effectiveness of our approach on various benchmarks, including class-conditioned image generation, high-resolution text-to-image, and text-to-video applications. Remarkably, we can train a single pixel-space model at resolutions of up to 1024x1024 pixels, demonstrating strong zero-shot generalization using the CC12M dataset, which contains only 12 million images. Code and pre-trained checkpoints are released at https://github.com/apple/ml-mdm.

Deep Learning · Other Representation Learning

Marc Rußwurm, Konstantin Klemmer, Esther Rolf, Robin Zbinden, Devis Tuia

Learning representations of geographical space is vital for any machine learning model that integrates geolocated data, spanning application domains such as remote sensing, ecology, or epidemiology. Recent work embeds coordinates using sine and cosine projections based on Double Fourier Sphere (DFS) features. These embeddings assume a rectangular data domain even on global data, which can lead to artifacts, especially at the poles. At the same time, little attention has been paid to the exact design of the neural network architectures with which these functional embeddings are combined. This work proposes a novel location encoder for globally distributed geographic data that combines spherical harmonic basis functions, natively defined on spherical surfaces, with sinusoidal representation networks (SirenNets) that can be interpreted as learned Double Fourier Sphere embedding. We systematically evaluate positional embeddings and neural network architectures across various benchmarks and synthetic evaluation datasets. In contrast to previous approaches that require the combination of both positional encoding and neural networks to learn meaningful representations, we show that both spherical harmonics and sinusoidal representation networks are competitive on their own but set state-of-the-art performances across tasks when combined. The model code and experiments are available at https://github.com/marccoru/locationencoder.

Zixiang Chen, Yihe Deng, Yuanzhi Li, Quanquan Gu

Multi-modal learning has become increasingly popular due to its ability to leverage information from different data sources (e.g., text and images) to improve the model performance. Recently, CLIP has emerged as an effective approach that employs vision-language contrastive pretraining to learn joint image and text representations and exhibits remarkable performance in zero-shot learning and text-guided natural image generation. Despite the substantial practical success of CLIP, its theoretical understanding remains elusive. In this paper, we formally study transferrable representation learning underlying CLIP and demonstrate how features from different modalities get aligned. We also analyze its zero-shot transfer performance on the downstream tasks. In addition, we conduct empirical evaluations on real data to backup our theory. Inspired by our analysis, we propose a new CLIP-type approach, which achieves better performance than CLIP and other state-of-the-art methods on benchmark datasets.

Applications · Computer Vision

Zihao Yin, Chen Gan, Kelei He, Yang Gao, Junfeng Zhang

Existing multi-label classification methods have long suffered from label heterogeneity, where learning a label obscures another. By modeling multi-label classification as a multi-task problem, this issue can be regarded as a negative transfer, which indicates challenges to achieve simultaneously satisfied performance across multiple tasks. In this work, we propose the Hybrid Sharing Query (HSQ), a transformer-based model that introduces the mixture-of-experts architecture to image multi-label classification. HSQ is designed to leverage label correlations while mitigating heterogeneity effectively. To this end, HSQ is incorporated with a fusion expert framework that enables it to optimally combine the strengths of task-specialized experts with shared experts, ultimately enhancing multi-label classification performance across most labels. Extensive experiments are conducted on two benchmark datasets, with the results demonstrating that the proposed method achieves state-of-the-art performance and yields simultaneous improvements across most labels. The code is available at https://github.com/zihao-yin/HSQ

Applications · Time Series

Defu Cao, Furong Jia, Sercan Arik, Tomas Pfister, Yixiang Zheng, Wen Ye, Yan Liu

The past decade has witnessed significant advances in time series modeling with deep learning. While achieving state-of-the-art results, the best-performing architectures vary highly across applications and domains. Meanwhile, for natural language processing, the Generative Pre-trained Transformer (GPT) has demonstrated impressive performance via training one general-purpose model across various textual datasets. It is intriguing to explore whether GPT-type architectures can be effective for time series, capturing the intrinsic dynamic attributes and leading to significant accuracy improvements. In this paper, we propose a novel framework, TEMPO, that can effectively learn time series representations. We focus on utilizing two essential inductive biases of the time series task for pre-trained models: (i) decomposition of the complex interaction between trend, seasonal and residual components; and (ii) introducing the design of prompts to facilitate distribution adaptation in different types of time series. TEMPO expands the capability for dynamically modeling real-world temporal phenomena from data within diverse domains. Our experiments demonstrate the superior performance of TEMPO over state-of-the-art methods on zero shot setting for a number of time series benchmark datasets. This performance gain is observed not only in scenarios involving previously unseen datasets but also in scenarios with multi-modal inputs. This compelling finding highlights TEMPO's potential to constitute a foundational model-building framework.

Reinforcement Learning · Batch/Offline

Jeonghye Kim, Su Young Lee, Woojun Kim, Youngchul Sung

The recent success of Transformer in natural language processing has sparked its use in various domains. In offline reinforcement learning (RL), Decision Transformer (DT) is emerging as a promising model based on Transformer. However, we discovered that the attention module of DT is not appropriate to capture the inherent local dependence pattern in trajectories of RL modeled as a Markov decision process. To overcome the limitations of DT, we propose a novel action sequence predictor, named Decision ConvFormer (DC), based on the architecture of MetaFormer, which is a general structure to process multiple entities in parallel and understand the interrelationship among the multiple entities. DC employs local convolution filtering as the token mixer and can effectively capture the inherent local associations of the RL dataset. In extensive experiments, DC achieved state-of-the-art performance across various standard RL benchmarks while requiring fewer resources. Furthermore, we show that DC better understands the underlying meaning in data and exhibits enhanced generalization capability.

Deep Learning · Robustness

Saurabh Garg, Mehrdad Farajtabar, Hadi Pouransari, Raviteja Vemulapalli, Sachin Mehta, Oncel Tuzel, Vaishaal Shankar, Fartash Faghri

Keeping large foundation models up to date on latest data is inherently expensive. To avoid the prohibitive costs of constantly retraining, it is imperative to continually train these models. This problem is exacerbated by the lack of any large scale continual learning benchmarks or baselines. We introduce the first set of web-scale Time-Continual (TiC) benchmarks for training vision-language models: TiC-DataComp, TiC-YFCC, and TiC-Redcaps. TiC-DataComp, our largest dataset, contains over 12.7B timestamped image-text pairs spanning 9 years (2014-2022). We first use our benchmarks to curate various dynamic evaluations to measure temporal robustness of existing models. We show OpenAI's CLIP (trained on data up to 2020) loses $\approx 8\%$ zero-shot accuracy on our curated retrieval task from 2021-2022 compared with more recently trained models in OpenCLIP repository. We then study how to efficiently train models on time-continuous data. We demonstrate that a simple rehearsal-based approach that continues training from the last checkpoint and replays old data reduces compute by $2.5\times$ when compared to the standard practice of retraining from scratch. Code is available at https://github.com/apple/ml-tic-clip.

Miscellaneous Aspects of Machine Learning · Representation Learning

Philippe Chlenski, Ethan Turok, Antonio Moretti, Itsik Pe'er

Hyperbolic geometry is gaining traction in machine learning due to its capacity to effectively capture hierarchical structures in real-world data. Hyperbolic spaces, where neighborhoods grow exponentially, offer substantial advantages and have consistently delivered state-of-the-art results across diverse applications. However, hyperbolic classifiers often grapple with computational challenges. Methods reliant on Riemannian optimization frequently exhibit sluggishness, stemming from the increased computational demands of operations on Riemannian manifolds. In response to these challenges, we present HyperDT, a novel extension of decision tree algorithms into hyperbolic space. Crucially, HyperDT eliminates the need for computationally intensive Riemannian optimization, numerically unstable exponential and logarithmic maps, or pairwise comparisons between points by leveraging inner products to adapt Euclidean decision tree algorithms to hyperbolic space. Our approach is conceptually straightforward and maintains constant-time decision complexity while mitigating the scalability issues inherent in high-dimensional Euclidean spaces. Building upon HyperDT, we introduce HyperRF, a hyperbolic random forest model. Extensive benchmarking across diverse datasets underscores the superior performance of these models, providing a swift, precise, accurate, and user-friendly toolkit for hyperbolic data analysis.

Miscellaneous Aspects of Machine Learning · Representation Learning

Li Ren, Chen Chen, Liqiang Wang, Kien Hua

Deep Metric Learning (DML) has long attracted the attention of the machine learning community as a key objective. Existing solutions concentrate on fine-tuning the pre-trained models on conventional image datasets. As a result of the success of recent pre-trained models derived from larger-scale datasets, it is challenging to adapt the model to the DML tasks in the local data domain while retaining the previously gained knowledge. In this paper, we investigate parameter-efficient methods for fine-tuning the pre-trained model for DML tasks. In particular, we propose a novel and effective framework based on learning Visual Prompts (VPT) in the pre-trained Vision Transformers (ViT). Based on the conventional proxy-based DML paradigm, we augment the proxy by incorporating the semantic information from the input image and the ViT, in which we optimize the visual prompts for each class. We demonstrate that our new approximations with semantic information are superior to representative capabilities, thereby improving metric learning performance. We conduct extensive experiments to demonstrate that our proposed framework is superior and efficient by evaluating popular DML benchmarks. In particular, we demonstrate that our fine-tuning method achieves comparable or even better performance than recent state-of-the-art full fine-tuning works of DML while tuning only a small percentage of total parameters.

Deep Learning · Graph Neural Networks

Xiyuan Wang, Haotong Yang, Muhan Zhang

In this work, we propose a novel link prediction model and further boost it by studying graph incompleteness. First, We introduce MPNN-then-SF, an innovative architecture leveraging structural feature (SF) to guide MPNN's representation pooling, with its implementation, namely Neural Common Neighbor (NCN). NCN exhibits superior expressiveness and scalability compared with existing models, which can be classified into two categories: SF-then-MPNN, augmenting MPNN's input with SF, and SF-and-MPNN, decoupling SF and MPNN. Second, we investigate the impact of graph incompleteness---the phenomenon that some links are unobserved in the input graph---on SF, like the common neighbor. Through dataset visualization, we observe that incompleteness reduces common neighbors and induces distribution shifts, significantly affecting model performance. To address this issue, we propose to use a link prediction model to complete the common neighbor structure. Combining this method with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins, and NCNC further surpasses state-of-the-art models in standard link prediction benchmarks.

Applications · Computer Vision

Sipeng Zheng, jiazheng liu, Yicheng Feng, Zongqing Lu

Recent studies have presented compelling evidence that large language models (LLMs) can equip embodied agents with the self-driven capability to interact with the world, which marks an initial step toward versatile robotics. However, these efforts tend to overlook the visual richness of open worlds, rendering the entire interactive process akin to ``a blindfolded text-based game.'' Consequently, LLM-based agents frequently encounter challenges in intuitively comprehending their surroundings and producing responses that are easy to understand. In this paper, we propose Steve-Eye, an end-to-end trained large multimodal model to address this limitation. Steve-Eye integrates the LLM with a visual encoder to process visual-text inputs and generate multimodal feedback. We adopt a semi-automatic strategy to collect an extensive dataset comprising 850K open-world instruction pairs, enabling our model to encompass three essential functions for an agent: multimodal perception, foundational knowledge base, and skill prediction and planning. Lastly, we develop three open-world evaluation benchmarks and carry out experiments from a wide range of perspectives to validate our model's capability to strategically act and plan. The project’s website and code can be found at https://sites.google.com/view/steve-eye.

Deep Learning

Xiongye Xiao, Gengshuo Liu, Gaurav Gupta, Defu Cao, Shixuan Li, Yaxing Li, Tianqing Fang, Mingxi Cheng, Paul Bogdan

Integrating and processing information from various sources or modalities are critical for obtaining a comprehensive and accurate perception of the real world in autonomous systems and cyber-physical systems. Drawing inspiration from neuroscience, we develop the Information-Theoretic Hierarchical Perception (ITHP) model, which utilizes the concept of information bottleneck. Different from most traditional fusion models that incorporate all modalities identically in neural networks, our model designates a prime modality and regards the remaining modalities as detectors in the information pathway, serving to distill the flow of information. Our proposed perception model focuses on constructing an effective and compact information flow by achieving a balance between the minimization of mutual information between the latent state and the input modal state, and the maximization of mutual information between the latent states and the remaining modal states. This approach leads to compact latent state representations that retain relevant information while minimizing redundancy, thereby substantially enhancing the performance of multimodal representation learning. Experimental evaluations on the MUStARD, CMU-MOSI, and CMU-MOSEI datasets demonstrate that our model consistently distills crucial information in multimodal learning scenarios, outperforming state-of-the-art benchmarks. Remarkably, on the CMU-MOSI dataset, ITHP surpasses human-level performance in the multimodal sentiment binary classification task across all evaluation metrics (i.e., Binary Accuracy, F1 Score, Mean Absolute Error, and Pearson Correlation).

Social Aspects · Trustworthy Machine Learning

Zhaomin Wu, Junyi Hou, Bingsheng He

Vertical Federated Learning (VFL) is a crucial paradigm for training machine learning models on feature-partitioned, distributed data. However, due to privacy restrictions, few public real-world VFL datasets exist for algorithm evaluation, and these represent a limited array of feature distributions. Existing benchmarks often resort to synthetic datasets, derived from arbitrary feature splits from a global set, which only capture a subset of feature distributions, leading to inadequate algorithm performance assessment. This paper addresses these shortcomings by introducing two key factors affecting VFL performance - feature importance and feature correlation - and proposing associated evaluation metrics and dataset splitting methods. Additionally, we introduce a real VFL dataset to address the deficit in image-image VFL scenarios. Our comprehensive evaluation of cutting-edge VFL algorithms provides valuable insights for future research in the field.

Deep Learning · Sequential Models, Time series

Stéphane d'Ascoli, Sören Becker, Philippe Schwaller, Alexander Mathis, Niki Kilbertus

We introduce ODEFormer, the first transformer able to infer multidimensional ordinary differential equation (ODE) systems in symbolic form from the observation of a single solution trajectory. We perform extensive evaluations on two datasets: (i) the existing ‘Strogatz’ dataset featuring two-dimensional systems; (ii) ODEBench, a collection of one- to four-dimensional systems that we carefully curated from the literature to provide a more holistic benchmark. ODEFormer consistently outperforms existing methods while displaying substantially improved robustness to noisy and irregularly sampled observations, as well as faster inference. We release our code, model and benchmark at https://github.com/sdascoli/odeformer.