OpenRaiser/Intern-Atlas huggingface dataset:
PASHA: Efficient HPO and NAS with Progressive Resource Allocation
Venue: Conference ICLR 2023
Year: 2023

Hyperparameter optimization (HPO) and neural architecture search (NAS) are methods of choice to obtain the best-in-class machine learning models, but in practice they can be costly to run. When models are trained on large datasets, tuning them with HPO or NAS rapidly becomes prohibitively expensive for practitioners, even when efficient multi-fidelity methods are employed. We propose an approach to tackle the challenge of tuning machine learning models trained on large datasets with limited computational resources. Our approach, named PASHA, extends ASHA and is able to dynamically allocate maximum resources for the tuning procedure depending on the need. The experimental comparison shows that PASHA identifies well-performing hyperparameter configurations and architectures while consuming significantly fewer computational resources than ASHA.
Token Merging: Your ViT But Faster
Venue: Conference ICLR 2023
Year: 2023

We introduce Token Merging (ToMe), a simple method to increase the throughput of existing ViT models without needing to train. ToMe gradually combines similar tokens in a transformer using a general and light-weight matching algorithm that is as fast as pruning while being more accurate. Off-the-shelf, ToMe can 2x the throughput of state-of-the-art ViT-L @ 512 and ViT-H @ 518 models on images and 2.2x the throughput of ViT-L on video with only a 0.2-0.3% accuracy drop in each case. ToMe can also easily be applied during training, improving in practice training speed up to 2x for MAE fine-tuning on video. Training with ToMe further minimizes accuracy drop, leading to 2x the throughput of ViT-B on audio for only a 0.4% mAP drop. Qualitatively, we find that ToMe merges object parts into one token, even over multiple frames of video. Overall, ToMe's accuracy and speed are competitive with state-of-the-art on images, video, and audio.
Concept-level Debugging of Part-Prototype Networks
Venue: Conference ICLR 2023
Year: 2023

Part-prototype Networks (ProtoPNets) are concept-based classifiers designed to achieve the same performance as black-box models without compromising transparency. ProtoPNets compute predictions based on similarity to class-specific part-prototypes learned to recognize parts of training examples, making it easy to faithfully determine what examples are responsible for any target prediction and why. However, like other models, they are prone to picking up confounders and shortcuts from the data, thus suffering from compromised prediction accuracy and limited generalization. We propose ProtoPDebug, an effective concept-level debugger for ProtoPNets in which a human supervisor, guided by the model's explanations, supplies feedback in the form of what part-prototypes must be forgotten or kept, and the model is fine-tuned to align with this supervision. Our experimental evaluation shows that ProtoPDebug outperforms state-of-the-art debuggers for a fraction of the annotation cost. An online experiment with laypeople confirms the simplicity of the feedback requested to the users and the effectiveness of the collected feedback for learning confounder-free part-prototypes. ProtoPDebug is a promising tool for trustworthy interactive learning in critical applications, as suggested by a preliminary evaluation on a medical decision making task.
Latent Graph Inference using Product Manifolds
Venue: Conference ICLR 2023
Year: 2023

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of problems where the connectivity patterns of data may not be directly accessible. In this work, we generalize the discrete Differentiable Graph Module (dDGM) for latent graph learning. The original dDGM architecture used the Euclidean plane to encode latent features based on which the latent graphs were generated. By incorporating Riemannian geometry into the model and generating more complex embedding spaces, we can improve the performance of the latent graph inference system. In particular, we propose a computationally tractable approach to produce product manifolds of constant curvature model spaces that can encode latent features of varying structure. The latent representations mapped onto the inferred product manifold are used to compute richer similarity measures that are leveraged by the latent graph learning model to obtain optimized latent graphs. Moreover, the curvature of the product manifold is learned during training alongside the rest of the network parameters and based on the downstream task, rather than it being a static embedding space. Our novel approach is tested on a wide range of datasets, and outperforms the original dDGM model.
Language Models are Realistic Tabular Data Generators
Venue: Conference ICLR 2023
Year: 2023

Tabular data is among the oldest and most ubiquitous forms of data. However, the generation of synthetic samples with the original data's characteristics remains a significant challenge for tabular data. While many generative models from the computer vision domain, such as variational autoencoders or generative adversarial networks, have been adapted for tabular data generation, less research has been directed towards recent transformer-based large language models (LLMs), which are also generative in nature. To this end, we propose GReaT (Generation of Realistic Tabular data), which exploits an auto-regressive generative LLM to sample synthetic and yet highly realistic tabular data. Furthermore, GReaT can model tabular data distributions by conditioning on any subset of features; the remaining features are sampled without additional overhead. We demonstrate the effectiveness of the proposed approach in a series of experiments that quantify the validity and quality of the produced data samples from multiple angles. We find that GReaT maintains state-of-the-art performance across numerous real-world and synthetic data sets with heterogeneous feature types coming in various sizes.
Proposal-Contrastive Pretraining for Object Detection from Fewer Data
Venue: Conference ICLR 2023
Year: 2023

The use of pretrained deep neural networks represents an attractive way to achieve strong results with few data available. When specialized in dense problems such as object detection, learning local rather than global information in images has proven to be more efficient. However, for unsupervised pretraining, the popular contrastive learning requires a large batch size and, therefore, a lot of resources. To address this problem, we are interested in transformer-based object detectors that have recently gained traction in the community with good performance and with the particularity of generating many diverse object proposals. In this work, we present Proposal Selection Contrast (ProSeCo), a novel unsupervised overall pretraining approach that leverages this property. ProSeCo uses the large number of object proposals generated by the detector for contrastive learning, which allows the use of a smaller batch size, combined with object-level features to learn local information in the images. To improve the effectiveness of the contrastive loss, we introduce the object location information in the selection of positive examples to take into account multiple overlapping object proposals. When reusing pretrained backbone, we advocate for consistency in learning local information between the backbone and the detection head. We show that our method outperforms state of the art in unsupervised pretraining for object detection on standard and novel benchmarks in learning with fewer data.
Clifford Neural Layers for PDE Modeling
Venue: Conference ICLR 2023
Year: 2023

Partial differential equations (PDEs) see widespread use in sciences and engineering to describe simulation of physical processes as scalar and vector fields interacting and coevolving over time. Due to the computationally expensive nature of their standard solution methods, neural PDE surrogates have become an active research topic to accelerate these simulations. However, current methods do not explicitly take into account the relationship between different fields and their internal components, which are often correlated. Viewing the time evolution of such correlated fields through the lens of multivector fields allows us to overcome these limitations. Multivector fields consist of scalar, vector, as well as higher-order components, such as bivectors and trivectors. Their algebraic properties, such as multiplication, addition and other arithmetic operations can be described by Clifford algebras. To our knowledge, this paper presents the first usage of such multivector representations together with Clifford convolutions and Clifford Fourier transforms in the context of deep learning. The resulting Clifford neural layers are universally applicable and will find direct use in the areas of fluid dynamics, weather forecasting, and the modeling of physical systems in general. We empirically evaluate the benefit of Clifford neural layers by replacing convolution and Fourier operations in common neural PDE surrogates by their Clifford counterparts on 2D Navier-Stokes and weather modeling tasks, as well as 3D Maxwell equations. For similar parameter count, Clifford neural layers consistently improve generalization capabilities of the tested neural PDE surrogates. Source code for our PyTorch implementation is available at https://microsoft.github.io/cliffordlayers/.
Explicitly Minimizing the Blur Error of Variational Autoencoders
Venue: Conference ICLR 2023
Year: 2023

Variational autoencoders (VAEs) are powerful generative modelling methods, however they suffer from blurry generated samples and reconstructions compared to the images they have been trained on. Significant research effort has been spent to increase the generative capabilities by creating more flexible models but often flexibility comes at the cost of higher complexity and computational cost. Several works have focused on altering the reconstruction term of the evidence lower bound (ELBO), however, often at the expense of losing the mathematical link to maximizing the likelihood of the samples under the modeled distribution. Here we propose a new formulation of the reconstruction term for the VAE that specifically penalizes the generation of blurry images while at the same time still maximizing the ELBO under the modeled distribution. We show the potential of the proposed loss on three different data sets, where it outperforms several recently proposed reconstruction losses for VAEs.
Fidelity of Interpretability Methods and Perturbation Artifacts in Neural Networks
Venue: Conference ICLR 2023
Year: 2023

Despite excellent performance of deep neural networks (DNNs) in image classification, detection, and prediction, characterizing how DNNs make a given decision remains an open problem, resulting in a number of interpretability methods. Post-hoc interpretability methods primarily aim to quantify the importance of input features with respect to the class probabilities. However, due to the lack of ground truth and the existence of interpretability methods with diverse operating characteristics, evaluating these methods is a crucial challenge. A popular approach to evaluate interpretability methods is to perturb input features deemed important for a given prediction and observe the decrease in accuracy. However, perturbation itself may introduce artifacts. We propose a method for estimating the impact of such artifacts on the fidelity estimation by utilizing model accuracy curves from perturbing input features according to the Most Import First (MIF) and Least Import First (LIF) orders. Using the ResNet-50 trained on the ImageNet, we demonstrate the proposed fidelity estimation of four popular post-hoc interpretability methods.
Broken Neural Scaling Laws
Venue: Conference ICLR 2023
Year: 2023

We present a smoothly broken power law functional form (that we refer to as a Broken Neural Scaling Law (BNSL)) that accurately models & extrapolates the scaling behaviors of deep neural networks (i.e. how the evaluation metric of interest varies as amount of compute used for training (or inference), number of model parameters, training dataset size, model input size, number of training steps, or upstream performance varies) for various architectures & for each of various tasks within a large & diverse set of upstream & downstream tasks, in zero-shot, prompted, & finetuned settings. This set includes large-scale vision, language, audio, video, diffusion, generative modeling, multimodal learning, contrastive learning, AI alignment, AI capabilities, robotics, out-of-distribution (OOD) generalization, continual learning, transfer learning, uncertainty estimation / calibration, OOD detection, adversarial robustness, distillation, sparsity, retrieval, quantization, pruning, fairness, molecules, computer programming/coding, math word problems, "emergent phase transitions", arithmetic, supervised learning, unsupervised/self-supervised learning, & reinforcement learning (single agent & multi-agent). When compared to other functional forms for neural scaling, this functional form yields extrapolations of scaling behavior that are considerably more accurate on this set. Moreover, this functional form accurately models & extrapolates scaling behavior that other functional forms are incapable of expressing such as the nonmonotonic transitions present in the scaling behavior of phenomena such as double descent & the delayed, sharp inflection points present in the scaling behavior of tasks such as arithmetic. Lastly, we use this functional form to glean insights about the limit of the predictability of scaling behavior. Code is available at https://github.com/ethancaballero/broken_neural_scaling_laws
LightGCL: Simple Yet Effective Graph Contrastive Learning for Recommendation
Venue: Conference ICLR 2023
Year: 2023

Graph neural network (GNN) is a powerful learning approach for graph-based recommender systems. Recently, GNNs integrated with contrastive learning have shown superior performance in recommendation with their data augmentation schemes, aiming at dealing with highly sparse data. Despite their success, most existing graph contrastive learning methods either perform stochastic augmentation (e.g., node/edge perturbation) on the user-item interaction graph, or rely on the heuristic-based augmentation techniques (e.g., user clustering) for generating contrastive views. We argue that these methods cannot well preserve the intrinsic semantic structures and are easily biased by the noise perturbation. In this paper, we propose a simple yet effective graph contrastive learning paradigm LightGCL that mitigates these issues impairing the generality and robustness of CL-based recommenders. Our model exclusively utilizes singular value decomposition for contrastive augmentation, which enables the unconstrained structural refinement with global collaborative relation modeling. Experiments conducted on several benchmark datasets demonstrate the significant improvement in performance of our model over the state-of-the-arts. Further analyses demonstrate the superiority of LightGCL's robustness against data sparsity and popularity bias. The source code of our model is available at https://github.com/HKUDS/LightGCL.
Achieve the Minimum Width of Neural Networks for Universal Approximation
Venue: Conference ICLR 2023
Year: 2023

The universal approximation property (UAP) of neural networks is fundamental for deep learning, and it is well known that wide neural networks are universal approximators of continuous functions within both the $L^p$ norm and the continuous/uniform norm. However, the exact minimum width, $w_{\min}$, for the UAP has not been studied thoroughly. Recently, using a decoder-memorizer-encoder scheme, \citet{Park2021Minimum} found that $w_{\min} = \max(d_x+1,d_y)$ for both the $L^p$-UAP of ReLU networks and the $C$-UAP of ReLU+STEP networks, where $d_x,d_y$ are the input and output dimensions, respectively. In this paper, we consider neural networks with an arbitrary set of activation functions. We prove that both $C$-UAP and $L^p$-UAP for functions on compact domains share a universal lower bound of the minimal width; that is, $w^*_{\min} = \max(d_x,d_y)$. In particular, the critical width, $w^*_{\min}$, for $L^p$-UAP can be achieved by leaky-ReLU networks, provided that the input or output dimension is larger than one. Our construction is based on the approximation power of neural ordinary differential equations and the ability to approximate flow maps by neural networks. The nonmonotone or discontinuous activation functions case and the one-dimensional case are also discussed.
Systematic Rectification of Language Models via Dead-end Analysis
Venue: Conference ICLR 2023
Year: 2023

With adversarial or otherwise normal prompts, existing large language models (LLM) can be pushed to generate toxic discourses. One way to reduce the risk of LLMs generating undesired discourses is to alter the training of the LLM. This can be very restrictive due to demanding computation requirements. Other methods rely on rule-based or prompt-based token elimination, which are limited as they dismiss future tokens and the overall meaning of the complete discourse. Here, we center detoxification on the probability that the finished discourse is ultimately considered toxic. That is, at each point, we advise against token selections proportional to how likely a finished text from this point will be toxic. To this end, we formally extend the dead-end theory from the recent reinforcement learning (RL) literature to also cover uncertain outcomes. Our approach, called rectification, utilizes a separate but significantly smaller model for detoxification, which can be applied to diverse LLMs as long as they share the same vocabulary. Importantly, our method does not require access to the internal representations of the LLM, but only the token probability distribution at each decoding step. This is crucial as many LLMs today are hosted in servers and only accessible through APIs. When applied to various LLMs, including GPT-3, our approach significantly improves the generated discourse compared to the base LLMs and other techniques in terms of both the overall language and detoxification performance.
Quantifying Memorization Across Neural Language Models
Venue: Conference ICLR 2023
Year: 2023

Large language models (LMs) have been shown to memorize parts of their training data, and when prompted appropriately, they will emit the memorized training data verbatim. This is undesirable because memorization violates privacy (exposing user data), degrades utility (repeated easy-to-memorize text is often low quality), and hurts fairness (some texts are memorized over others). We describe three log-linear relationships that quantify the degree to which LMs emit memorized training data. Memorization significantly grows as we increase (1) the capacity of a model, (2) the number of times an example has been duplicated, and (3) the number of tokens of context used to prompt the model. Surprisingly, we find the situation becomes more complicated when generalizing these results across model families. On the whole, we find that memorization in LMs is more prevalent than previously believed and will likely get worse as models continues to scale, at least without active mitigations.
Composing Task Knowledge With Modular Successor Feature Approximators
Venue: Conference ICLR 2023
Year: 2023

Recently, the Successor Features and Generalized Policy Improvement (SF&GPI) framework has been proposed as a method for learning, composing, and transferring predictive knowledge and behavior. SF&GPI works by having an agent learn predictive representations (SFs) that can be combined for transfer to new tasks with GPI. However, to be effective this approach requires state features that are useful to predict, and these state-features are typically hand-designed. In this work, we present a novel neural network architecture, "Modular Successor Feature Approximators" (MSFA), where modules both discover what is useful to predict, and learn their own predictive representations. We show that MSFA is able to better generalize compared to baseline architectures for learning SFs and modular architectures
Heterogeneous Neuronal and Synaptic Dynamics for Spike-Efficient Unsupervised Learning: Theory and Design Principles
Venue: Conference ICLR 2023
Year: 2023

This paper shows that the heterogeneity in neuronal and synaptic dynamics reduces the spiking activity of a Recurrent Spiking Neural Network (RSNN) while improving prediction performance, enabling spike-efficient (unsupervised) learning. We analytically show that the diversity in neurons' integration/relaxation dynamics improves an RSNN's ability to learn more distinct input patterns (higher memory capacity), leading to improved classification and prediction performance. We further prove that heterogeneous Spike-Timing-Dependent-Plasticity (STDP) dynamics of synapses reduce spiking activity but preserve memory capacity. The analytical results motivate Heterogeneous RSNN design using Bayesian optimization to determine heterogeneity in neurons and synapses to improve $\mathcal{E}$, defined as the ratio of spiking activity and memory capacity. The empirical results on time series classification and prediction tasks show that optimized HRSNN increases performance and reduces spiking activity compared to a homogeneous RSNN.
Neuroevolution is a Competitive Alternative to Reinforcement Learning for Skill Discovery
Venue: Conference ICLR 2023
Year: 2023

Deep Reinforcement Learning (RL) has emerged as a powerful paradigm for training neural policies to solve complex control tasks. However, these policies tend to be overfit to the exact specifications of the task and environment they were trained on, and thus do not perform well when conditions deviate slightly or when composed hierarchically to solve even more complex tasks. Recent work has shown that training a mixture of policies, as opposed to a single one, that are driven to explore different regions of the state-action space can address this shortcoming by generating a diverse set of behaviors, referred to as skills, that can be collectively used to great effect in adaptation tasks or for hierarchical planning. This is typically realized by including a diversity term - often derived from information theory - in the objective function optimized by RL. However these approaches often require careful hyperparameter tuning to be effective. In this work, we demonstrate that less widely-used neuroevolution methods, specifically Quality Diversity (QD), are a competitive alternative to information-theory-augmented RL for skill discovery. Through an extensive empirical evaluation comparing eight state-of-the-art algorithms (four flagship algorithms from each line of work) on the basis of (i) metrics directly evaluating the skills' diversity, (ii) the skills' performance on adaptation tasks, and (iii) the skills' performance when used as primitives for hierarchical planning; QD methods are found to provide equal, and sometimes improved, performance whilst being less sensitive to hyperparameters and more scalable. As no single method is found to provide near-optimal performance across all environments, there is a rich scope for further research which we support by proposing future directions and providing optimized open-source implementations.