OpenRaiser/Intern-Atlas huggingface dataset:
Are All Losses Created Equal: A Neural Collapse Perspective
Venue: Conference NeurIPS 2022
Year: 2022

While cross entropy (CE) is the most commonly used loss to train deep neural networks for classification tasks, many alternative losses have been developed to obtain better empirical performance. Among them, which one is the best to use is still a mystery, because there seem to be multiple factors affecting the answer, such as properties of the dataset, the choice of network architecture, and so on. This paper studies the choice of loss function by examining the last-layer features of deep networks, drawing inspiration from a recent line work showing that the global optimal solution of CE and mean-square-error (MSE) losses exhibits a Neural Collapse phenomenon. That is, for sufficiently large networks trained until convergence, (i) all features of the same class collapse to the corresponding class mean and (ii) the means associated with different classes are in a configuration where their pairwise distances are all equal and maximized. We extend such results and show through global solution and landscape analyses that a broad family of loss functions including commonly used label smoothing (LS) and focal loss (FL) exhibits Neural Collapse. Hence, all relevant losses(i.e., CE, LS, FL, MSE) produce equivalent features on training data. Based on the unconstrained feature model assumption, we provide either the global landscape analysis for LS loss or the local landscape analysis for FL loss and show that the (only!) global minimizers are neural collapse solutions, while all other critical points are strict saddles whose Hessian exhibit negative curvature directions either in the global scope for LS loss or in the local scope for FL loss near the optimal solution. The experiments further show that Neural Collapse features obtained from all relevant losses lead to largely identical performance on test data as well, provided that the network is sufficiently large and trained until convergence.
Fair Ranking with Noisy Protected Attributes
Venue: Conference NeurIPS 2022
Year: 2022

The fair-ranking problem, which asks to rank a given set of items to maximize utility subject to group fairness constraints, has received attention in the fairness, information retrieval, and machine learning literature. Recent works, however, observe that errors in socially-salient (including protected) attributes of items can significantly undermine fairness guarantees of existing fair-ranking algorithms and raise the problem of mitigating the effect of such errors. We study the fair-ranking problem under a model where socially-salient attributes of items are randomly and independently perturbed. We present a fair-ranking framework that incorporates group fairness requirements along with probabilistic information about perturbations in socially-salient attributes. We provide provable guarantees on the fairness and utility attainable by our framework and show that it is information-theoretically impossible to significantly beat these guarantees. Our framework works for multiple non-disjoint attributes and a general class of fairness constraints that includes proportional and equal representation. Empirically, we observe that, compared to baselines, our algorithm outputs rankings with higher fairness, and has a similar or better fairness-utility trade-off compared to baselines.
Social-Inverse: Inverse Decision-making of Social Contagion Management with Task Migrations
Venue: Conference NeurIPS 2022
Year: 2022

Considering two decision-making tasks $A$ and $B$, each of which wishes to compute an effective \textit{decision} $Y$ for a given \textit{query} $X$, {can we solve task $B$ by using query-decision pairs $(X, Y)$ of $A$ without knowing the latent decision-making model?} Such problems, called \textit{inverse decision-making with task migrations}, are of interest in that the complex and stochastic nature of real-world applications often prevents the agent from completely knowing the underlying system. In this paper, we introduce such a new problem with formal formulations and present a generic framework for addressing decision-making tasks in social contagion management. On the theory side, we present a generalization analysis for justifying the learning performance of our framework. In empirical studies, we perform a sanity check and compare the presented method with other possible learning-based and graph-based methods. We have acquired promising experimental results, confirming for the first time that it is possible to solve one decision-making task by using the solutions associated with another one.
Provable Benefit of Multitask Representation Learning in Reinforcement Learning
Venue: Conference NeurIPS 2022
Year: 2022

As representation learning becomes a powerful technique to reduce sample complexity in reinforcement learning (RL) in practice, theoretical understanding of its advantage is still limited. In this paper, we theoretically characterize the benefit of representation learning under the low-rank Markov decision process (MDP) model. We first study multitask low-rank RL (as upstream training), where all tasks share a common representation, and propose a new multitask reward-free algorithm called REFUEL. REFUEL learns both the transition kernel and the near-optimal policy for each task, and outputs a well-learned representation for downstream tasks. Our result demonstrates that multitask representation learning is provably more sample-efficient than learning each task individually, as long as the total number of tasks is above a certain threshold. We then study the downstream RL in both online and offline settings, where the agent is assigned with a new task sharing the same representation as the upstream tasks. For both online and offline settings, we develop a sample-efficient algorithm, and show that it finds a near-optimal policy with the suboptimality gap bounded by the sum of the estimation error of the learned representation in upstream and a vanishing term as the number of downstream samples becomes large. Our downstream results of online and offline RL further capture the benefit of employing the learned representation from upstream as opposed to learning the representation of the low-rank model directly. To the best of our knowledge, this is the first theoretical study that characterizes the benefit of representation learning in exploration-based reward-free multitask RL for both upstream and downstream tasks.
Modeling Human Exploration Through Resource-Rational Reinforcement Learning
Venue: Conference NeurIPS 2022
Year: 2022

Equipping artificial agents with useful exploration mechanisms remains a challenge to this day. Humans, on the other hand, seem to manage the trade-off between exploration and exploitation effortlessly. In the present article, we put forward the hypothesis that they accomplish this by making optimal use of limited computational resources. We study this hypothesis by meta-learning reinforcement learning algorithms that sacrifice performance for a shorter description length (defined as the number of bits required to implement the given algorithm). The emerging class of models captures human exploration behavior better than previously considered approaches, such as Boltzmann exploration, upper confidence bound algorithms, and Thompson sampling. We additionally demonstrate that changing the description length in our class of models produces the intended effects: reducing description length captures the behavior of brain-lesioned patients while increasing it mirrors cognitive development during adolescence.
Generating Long Videos of Dynamic Scenes
Venue: Conference NeurIPS 2022
Year: 2022

We present a video generation model that accurately reproduces object motion, changes in camera viewpoint, and new content that arises over time. Existing video generation methods often fail to produce new content as a function of time while maintaining consistencies expected in real environments, such as plausible dynamics and object persistence. A common failure case is for content to never change due to over-reliance on inductive biases to provide temporal consistency, such as a single latent code that dictates content for the entire video. On the other extreme, without long-term consistency, generated videos may morph unrealistically between different scenes. To address these limitations, we prioritize the time axis by redesigning the temporal latent representation and learning long-term consistency from data by training on longer videos. To this end, we leverage a two-phase training strategy, where we separately train using longer videos at a low resolution and shorter videos at a high resolution. To evaluate the capabilities of our model, we introduce two new benchmark datasets with explicit focus on long-term temporal dynamics.
DigGAN: Discriminator gradIent Gap Regularization for GAN Training with Limited Data
Venue: Conference NeurIPS 2022
Year: 2022

Generative adversarial nets (GANs) have been remarkably successful at learning to sample from distributions specified by a given dataset, particularly if the given dataset is reasonably large compared to its dimensionality. However, given limited data, classical GANs have struggled, and strategies like output-regularization, data-augmentation, use of pre-trained models and pruning have been shown to lead to improvements. Notably, the applicability of these strategies is 1) often constrained to particular settings, e.g., availability of a pretrained GAN; or 2) increases training time, e.g., when using pruning. In contrast, we propose a Discriminator gradIent Gap regularized GAN (DigGAN) formulation which can be added to any existing GAN. DigGAN augments existing GANs by encouraging to narrow the gap between the norm of the gradient of a discriminator's prediction w.r.t.\ real images and w.r.t.\ the generated samples. We observe this formulation to avoid bad attractors within the GAN loss landscape, and we find DigGAN to significantly improve the results of GAN training when limited data is available. Code is available at \url{https://github.com/AilsaF/DigGAN}.
GET3D: A Generative Model of High Quality 3D Textured Shapes Learned from Images
Venue: Conference NeurIPS 2022
Year: 2022

As several industries are moving towards modeling massive 3D virtual worlds, the need for content creation tools that can scale in terms of the quantity, quality, and diversity of 3D content is becoming evident. In our work, we aim to train performant 3D generative models that synthesize textured meshes which can be directly consumed by 3D rendering engines, thus immediately usable in downstream applications. Prior works on 3D generative modeling either lack geometric details, are limited in the mesh topology they can produce, typically do not support textures, or utilize neural renderers in the synthesis process, which makes their use in common 3D software non-trivial. In this work, we introduce GET3D, a Generative model that directly generates Explicit Textured 3D meshes with complex topology, rich geometric details, and high-fidelity textures. We bridge recent success in the differentiable surface modeling, differentiable rendering as well as 2D Generative Adversarial Networks to train our model from 2D image collections. GET3D is able to generate high-quality 3D textured meshes, ranging from cars, chairs, animals, motorbikes and human characters to buildings, achieving significant improvements over previous methods.
BYOL-Explore: Exploration by Bootstrapped Prediction
Venue: Conference NeurIPS 2022
Year: 2022

We present BYOL-Explore, a conceptually simple yet general approach for curiosity-driven exploration in visually-complex environments. BYOL-Explore learns a world representation, the world dynamics, and an exploration policy all-together by optimizing a single prediction loss in the latent space with no additional auxiliary objective. We show that BYOL-Explore is effective in DM-HARD-8, a challenging partially-observable continuous-action hard-exploration benchmark with visually-rich 3-D environments. On this benchmark, we solve the majority of the tasks purely through augmenting the extrinsic reward with BYOL-Explore s intrinsic reward, whereas prior work could only get off the ground with human demonstrations. As further evidence of the generality of BYOL-Explore, we show that it achieves superhuman performance on the ten hardest exploration games in Atari while having a much simpler design than other competitive agents.
SizeShiftReg: a Regularization Method for Improving Size-Generalization in Graph Neural Networks
Venue: Conference NeurIPS 2022
Year: 2022

In the past few years, graph neural networks (GNNs) have become the de facto model of choice for graph classification. While, from the theoretical viewpoint, most GNNs can operate on graphs of any size, it is empirically observed that their classification performance degrades when they are applied on graphs with sizes that differ from those in the training data. Previous works have tried to tackle this issue in graph classification by providing the model with inductive biases derived from assumptions on the generative process of the graphs, or by requiring access to graphs from the test domain. The first strategy is tied to the quality of the assumptions made for the generative process, and requires the use of specific models designed after the explicit definition of the generative process of the data, leaving open the question of how to improve the performance of generic GNN models in general settings. On the other hand, the second strategy can be applied to any GNN, but requires access to information that is not always easy to obtain. In this work we consider the scenario in which we only have access to the training data, and we propose a regularization strategy that can be applied to any GNN to improve its generalization capabilities from smaller to larger graphs without requiring access to the test data. Our regularization is based on the idea of simulating a shift in the size of the training graphs using coarsening techniques, and enforcing the model to be robust to such a shift. Experimental results on standard datasets show that popular GNN models, trained on the 50% smallest graphs in the dataset and tested on the 10% largest graphs, obtain performance improvements of up to 30% when trained with our regularization strategy.
On the Effectiveness of Lipschitz-Driven Rehearsal in Continual Learning
Venue: Conference NeurIPS 2022
Year: 2022

Rehearsal approaches enjoy immense popularity with Continual Learning (CL) practitioners. These methods collect samples from previously encountered data distributions in a small memory buffer; subsequently, they repeatedly optimize on the latter to prevent catastrophic forgetting. This work draws attention to a hidden pitfall of this widespread practice: repeated optimization on a small pool of data inevitably leads to tight and unstable decision boundaries, which are a major hindrance to generalization. To address this issue, we propose Lipschitz-DrivEn Rehearsal (LiDER), a surrogate objective that induces smoothness in the backbone network by constraining its layer-wise Lipschitz constants w.r.t. replay examples. By means of extensive experiments, we show that applying LiDER delivers a stable performance gain to several state-of-the-art rehearsal CL methods across multiple datasets, both in the presence and absence of pre-training. Through additional ablative experiments, we highlight peculiar aspects of buffer overfitting in CL and better characterize the effect produced by LiDER. Code is available at https://github.com/aimagelab/LiDER
Factored Adaptation for Non-Stationary Reinforcement Learning
Venue: Conference NeurIPS 2022
Year: 2022

Dealing with non-stationarity in environments (e.g., in the transition dynamics) and objectives (e.g., in the reward functions) is a challenging problem that is crucial in real-world applications of reinforcement learning (RL). While most current approaches model the changes as a single shared embedding vector, we leverage insights from the recent causality literature to model non-stationarity in terms of individual latent change factors, and causal graphs across different environments. In particular, we propose Factored Adaptation for Non-Stationary RL (FANS-RL), a factored adaption approach that learns jointly both the causal structure in terms of a factored MDP, and a factored representation of the individual time-varying change factors. We prove that under standard assumptions, we can completely recover the causal graph representing the factored transition and reward function, as well as a partial structure between the individual change factors and the state components. Through our general framework, we can consider general non-stationary scenarios with different function types and changing frequency, including changes across episodes and within episodes. Experimental results demonstrate that FANS-RL outperforms existing approaches in terms of return, compactness of the latent state representation, and robustness to varying degrees of non-stationarity.
MAgNet: Mesh Agnostic Neural PDE Solver
Venue: Conference NeurIPS 2022
Year: 2022

The computational complexity of classical numerical methods for solving Partial Differential Equations (PDE) scales significantly as the resolution increases. As an important example, climate predictions require fine spatio-temporal resolutions to resolve all turbulent scales in the fluid simulations. This makes the task of accurately resolving these scales computationally out of reach even with modern supercomputers. As a result, current numerical modelers solve PDEs on grids that are too coarse (3km to 200km on each side), which hinders the accuracy and usefulness of the predictions. In this paper, we leverage the recent advances in Implicit Neural Representations (INR) to design a novel architecture that predicts the spatially continuous solution of a PDE given a spatial position query. By augmenting coordinate-based architectures with Graph Neural Networks (GNN), we enable zero-shot generalization to new non-uniform meshes and long-term predictions up to 250 frames ahead that are physically consistent. Our Mesh Agnostic Neural PDE Solver (MAgNet) is able to make accurate predictions across a variety of PDE simulation datasets and compares favorably with existing baselines. Moreover, MAgNet generalizes well to different meshes and resolutions up to four times those trained on.
Learning to Compare Nodes in Branch and Bound with Graph Neural Networks
Venue: Conference NeurIPS 2022
Year: 2022

Branch-and-bound approaches in integer programming require ordering portions of the space to explore next, a problem known as node comparison. We propose a new siamese graph neural network model to tackle this problem, where the nodes are represented as bipartite graphs with attributes. Similar to prior work, we train our model to imitate a diving oracle that plunges towards the optimal solution. We evaluate our method by solving the instances in a plain framework where the nodes are explored according to their rank. On three NP-hard benchmarks chosen to be particularly primal-difficult, our approach leads to faster solving and smaller branch- and-bound trees than the default ranking function of the open-source solver SCIP, as well as competing machine learning methods. Moreover, these results generalize to instances larger than used for training. Code for reproducing the experiments can be found at https://github.com/ds4dm/learn2comparenodes.
GAGA: Deciphering Age-path of Generalized Self-paced Regularizer
Venue: Conference NeurIPS 2022
Year: 2022

Nowadays self-paced learning (SPL) is an important machine learning paradigm that mimics the cognitive process of humans and animals. The SPL regime involves a self-paced regularizer and a gradually increasing age parameter, which plays a key role in SPL but where to optimally terminate this process is still non-trivial to determine. A natural idea is to compute the solution path w.r.t. age parameter (i.e., age-path). However, current age-path algorithms are either limited to the simplest regularizer, or lack solid theoretical understanding as well as computational efficiency. To address this challenge, we propose a novel \underline{G}eneralized \underline{Ag}e-path \underline{A}lgorithm (GAGA) for SPL with various self-paced regularizers based on ordinary differential equations (ODEs) and sets control, which can learn the entire solution spectrum w.r.t. a range of age parameters. To the best of our knowledge, GAGA is the first exact path-following algorithm tackling the age-path for general self-paced regularizer. Finally the algorithmic steps of classic SVM and Lasso are described in detail. We demonstrate the performance of GAGA on real-world datasets, and find considerable speedup between our algorithm and competing baselines.
Towards Learning Universal Hyperparameter Optimizers with Transformers
Venue: Conference NeurIPS 2022
Year: 2022

Meta-learning hyperparameter optimization (HPO) algorithms from prior experiments is a promising approach to improve optimization efficiency over objective functions from a similar distribution. However, existing methods are restricted to learning from experiments sharing the same set of hyperparameters. In this paper, we introduce the OptFormer, the first text-based Transformer HPO framework that provides a universal end-to-end interface for jointly learning policy and function prediction when trained on vast tuning data from the wild, such as Google's Vizier database, one of the world's largest HPO datasets. Our extensive experiments demonstrate that the OptFormer can simultaneously imitate at least 7 different HPO algorithms, which can be further improved via its function uncertainty estimates. Compared to a Gaussian Process, the OptFormer also learns a robust prior distribution for hyperparameter response functions, and can thereby provide more accurate and better calibrated predictions. This work paves the path to future extensions for training a Transformer-based model as a general HPO optimizer.
Learning to Reconstruct Missing Data from Spatiotemporal Graphs with Sparse Observations
Venue: Conference NeurIPS 2022
Year: 2022

Modeling multivariate time series as temporal signals over a (possibly dynamic) graph is an effective representational framework that allows for developing models for time series analysis. In fact, discrete sequences of graphs can be processed by autoregressive graph neural networks to recursively learn representations at each discrete point in time and space. Spatiotemporal graphs are often highly sparse, with time series characterized by multiple, concurrent, and long sequences of missing data, e.g., due to the unreliable underlying sensor network. In this context, autoregressive models can be brittle and exhibit unstable learning dynamics. The objective of this paper is, then, to tackle the problem of learning effective models to reconstruct, i.e., impute, missing data points by conditioning the reconstruction only on the available observations. In particular, we propose a novel class of attention-based architectures that, given a set of highly sparse discrete observations, learn a representation for points in time and space by exploiting a spatiotemporal propagation architecture aligned with the imputation task. Representations are trained end-to-end to reconstruct observations w.r.t. the corresponding sensor and its neighboring nodes. Compared to the state of the art, our model handles sparse data without propagating prediction errors or requiring a bidirectional model to encode forward and backward time dependencies. Empirical results on representative benchmarks show the effectiveness of the proposed method.