OpenRaiser/Intern-Atlas huggingface dataset:
Label-free Concept Bottleneck Models
Venue: Conference ICLR 2023
Year: 2023

Concept bottleneck models (CBM) are a popular way of creating more interpretable neural networks by having hidden layer neurons correspond to human-understandable concepts. However, existing CBMs and their variants have two crucial limitations: first, they need to collect labeled data for each of the predefined concepts, which is time consuming and labor intensive; second, the accuracy of a CBM is often significantly lower than that of a standard neural network, especially on more complex datasets. This poor performance creates a barrier for adopting CBMs in practical real world applications. Motivated by these challenges, we propose Label-free CBM which is a novel framework to transform any neural network into an interpretable CBM without labeled concept data, while retaining a high accuracy. Our Label-free CBM has many advantages, it is: scalable - we present the first CBM scaled to ImageNet, efficient - creating a CBM takes only a few hours even for very large datasets, and automated - training it for a new dataset requires minimal human effort. Our code is available at https://github.com/Trustworthy-ML-Lab/Label-free-CBM. Finally, in Appendix B we conduct a large scale user evaluation of the interpretability of our method.
CLIP-Dissect: Automatic Description of Neuron Representations in Deep Vision Networks
Venue: Conference ICLR 2023
Year: 2023

In this paper, we propose CLIP-Dissect, a new technique to automatically describe the function of individual hidden neurons inside vision networks. CLIP-Dissect leverages recent advances in multimodal vision/language models to label internal neurons with open-ended concepts without the need for any labeled data or human examples. We show that CLIP-Dissect provides more accurate descriptions than existing methods for last layer neurons where the ground-truth is available as well as qualitatively good descriptions for hidden layer neurons. In addition, our method is very flexible: it is model agnostic, can easily handle new concepts and can be extended to take advantage of better multimodal models in the future. Finally CLIP-Dissect is computationally efficient and can label all neurons from five layers of ResNet-50 in just 4 minutes, which is more than 10 times faster than existing methods. Our code is available at https://github.com/Trustworthy-ML-Lab/CLIP-dissect. Finally, crowdsourced user study results are available at Appendix B to further support the effectiveness of our method.
Neuromechanical Autoencoders: Learning to Couple Elastic and Neural Network Nonlinearity
Venue: Conference ICLR 2023
Year: 2023

Intelligent biological systems are characterized by their embodiment in a complex environment and the intimate interplay between their nervous systems and the nonlinear mechanical properties of their bodies. This coordination, in which the dynamics of the motor system co-evolved to reduce the computational burden on the brain, is referred to as ``mechanical intelligence'' or ``morphological computation''. In this work, we seek to develop machine learning analogs of this process, in which we jointly learn the morphology of complex nonlinear elastic solids along with a deep neural network to control it. By using a specialized differentiable simulator of elastic mechanics coupled to conventional deep learning architectures -- which we refer to as neuromechanical autoencoders -- we are able to learn to perform morphological computation via gradient descent. Key to our approach is the use of mechanical metamaterials -- cellular solids, in particular -- as the morphological substrate. Just as deep neural networks provide flexible and massively-parametric function approximators for perceptual and control tasks, cellular solid metamaterials are promising as a rich and learnable space for approximating a variety of actuation tasks. In this work we take advantage of these complementary computational concepts to co-design materials and neural network controls to achieve nonintuitive mechanical behavior. We demonstrate in simulation how it is possible to achieve translation, rotation, and shape matching, as well as a ``digital MNIST'' task. We additionally manufacture and evaluate one of the designs to verify its real-world behavior.
Weakly Supervised Knowledge Transfer with Probabilistic Logical Reasoning for Object Detection
Venue: Conference ICLR 2023
Year: 2023

Training object detection models usually requires instance-level annotations, such as the positions and labels of all objects present in each image. Such supervision is unfortunately not always available and, more often, only image-level information is provided, also known as weak supervision. Recent works have addressed this limitation by leveraging knowledge from a richly annotated domain. However, the scope of weak supervision supported by these approaches has been very restrictive, preventing them to use all available information. In this work, we propose ProbKT, a framework based on probabilistic logical reasoning that allows to train object detection models with arbitrary types of weak supervision. We empirically show on different datasets that using all available information is beneficial as our ProbKT leads to significant improvement on target domain and better generalization compared to existing baselines. We also showcase the ability of our approach to handle complex logic statements as supervision signal.
Contrastive Learning for Unsupervised Domain Adaptation of Time Series
Venue: Conference ICLR 2023
Year: 2023

Unsupervised domain adaptation (UDA) aims at learning a machine learning model using a labeled source domain that performs well on a similar yet different, unlabeled target domain. UDA is important in many applications such as medicine, where it is used to adapt risk scores across different patient cohorts. In this paper, we develop a novel framework for UDA of time series data, called CLUDA. Specifically, we propose a contrastive learning framework to learn contextual representations in multivariate time series, so that these preserve label information for the prediction task. In our framework, we further capture the variation in the contextual representations between source and target domain via a custom nearest-neighbor contrastive learning. To the best of our knowledge, ours is the first framework to learn domain-invariant, contextual representation for UDA of time series data. We evaluate our framework using a wide range of time series datasets to demonstrate its effectiveness and show that it achieves state-of-the-art performance for time series UDA.
Online Low Rank Matrix Completion
Venue: Conference ICLR 2023
Year: 2023

We study the problem of {\em online} low-rank matrix completion with $\mathsf{M}$ users, $\mathsf{N}$ items and $\mathsf{T}$ rounds. In each round, the algorithm recommends one item per user, for which it gets a (noisy) reward sampled from a low-rank user-item preference matrix. The goal is to design a method with sub-linear regret (in $\mathsf{T}$) and nearly optimal dependence on $\mathsf{M}$ and $\mathsf{N}$. The problem can be easily mapped to the standard multi-armed bandit problem where each item is an {\em independent} arm, but that leads to poor regret as the correlation between arms and users is not exploited. On the other hand, exploiting the low-rank structure of reward matrix is challenging due to non-convexity of the low-rank manifold. We first demonstrate that the low-rank structure can be exploited using a simple explore-then-commit (ETC) approach that ensures a regret of $O(\mathsf{polylog} (\mathsf{M}+\mathsf{N}) \mathsf{T}^{2/3})$. That is, roughly only $\mathsf{polylog} (\mathsf{M}+\mathsf{N})$ item recommendations are required per user to get a non-trivial solution. We then improve our result for the rank-$1$ setting which in itself is quite challenging and encapsulates some of the key issues. Here, we propose \textsc{OCTAL} (Online Collaborative filTering using iterAtive user cLustering) that guarantees nearly optimal regret of $O(\mathsf{polylog} (\mathsf{M}+\mathsf{N}) \mathsf{T}^{1/2})$. OCTAL is based on a novel technique of clustering users that allows iterative elimination of items and leads to a nearly optimal minimax rate.
Exploring Semantic Variations in GAN Latent Spaces via Matrix Factorization
Venue: Conference ICLR 2023
Year: 2023

Controlled data generation with GANs is desirable but challenging due to the nonlinearity and high dimensionality of their latent spaces. In this work, we explore image manipulations learned by GANSpace, a state-of-the-art method based on PCA. Through quantitative and qualitative assessments we show: (a) GANSpace produces a wide range of high-quality image manipulations, but they can be highly entangled, limiting potential use cases; (b) Replacing PCA with ICA improves the quality and disentanglement of manipulations; (c) The quality of the generated images can be sensitive to the size of GANs, but regardless of their complexity, fundamental controlling directions can be observed in their latent spaces.
Diminishing Return of Value Expansion Methods in Model-Based Reinforcement Learning
Venue: Conference ICLR 2023
Year: 2023

Model-based reinforcement learning is one approach to increase sample efficiency. However, the accuracy of the dynamics model and the resulting compounding error over modelled trajectories are commonly regarded as key limitations. A natural question to ask is: How much more sample efficiency can be gained by improving the learned dynamics models? Our paper empirically answers this question for the class of model-based value expansion methods in continuous control problems. Value expansion methods should benefit from increased model accuracy by enabling longer rollout horizons and better value function approximations. Our empirical study, which leverages oracle dynamics models to avoid compounding model errors, shows that (1) longer horizons increase sample efficiency, but the gain in improvement decreases with each additional expansion step, and (2) the increased model accuracy only marginally increases the sample efficiency compared to learned models with identical horizons. Therefore, longer horizons and increased model accuracy yield diminishing returns in terms of sample efficiency. These improvements in sample efficiency are particularly disappointing when compared to model-free value expansion methods. Even though they introduce no computational overhead, we find their performance to be on-par with model-based value expansion methods. Therefore, we conclude that the limitation of model-based value expansion methods is not the model accuracy of the learned models. While higher model accuracy is beneficial, our experiments show that even a perfect model will not provide an un-rivalled sample efficiency but that the bottleneck lies elsewhere.
Knowledge-in-Context: Towards Knowledgeable Semi-Parametric Language Models
Venue: Conference ICLR 2023
Year: 2023

Fully-parametric language models generally require a huge number of model parameters to store the necessary knowledge for solving multiple natural language tasks in zero/few-shot settings. In addition, it is hard to adapt to the evolving world knowledge without the costly model re-training. In this paper, we develop a novel semi-parametric language model architecture, Knowledge-in-Context (KiC), which empowers a parametric text-to-text language model with a knowledge-rich external memory. Specifically, the external memory contains six different types of knowledge: entity, dictionary, commonsense, event, script, and causality knowledge. For each input instance, the KiC model adaptively selects a knowledge type and retrieves the most helpful pieces of knowledge. The input instance along with its knowledge augmentation is fed into a text-to-text model (e.g., T5) to generate the output answer, where both the input and the output are in natural language forms after prompting. Interestingly, we find that KiC can be identified as a special mixture-of-experts (MoE) model, where the knowledge selector plays the role of a router that is used to determine the sequence-to-expert assignment in MoE. This key observation inspires us to develop a novel algorithm for training KiC with an instance-adaptive knowledge selector. As a knowledge-rich semi-parametric language model, KiC only needs a much smaller parametric part to achieve superior zero-shot performance on unseen tasks. By evaluating on 40+ different tasks, we show that KiC_Large with 770M parameters easily outperforms large language models (LMs) that are 4-39x larger by a large margin. We also demonstrate that KiC exhibits emergent abilities at a much smaller model scale compared to the fully-parametric models.
Towards Understanding Why Mask Reconstruction Pretraining Helps in Downstream Tasks
Venue: Conference ICLR 2023
Year: 2023

For unsupervised pretraining, mask-reconstruction pretraining (MRP) approaches, e.g. MAE and data2vec, randomly mask input patches and then reconstruct the pixels or semantic features of these masked patches via an auto-encoder. Then for a downstream task, supervised fine-tuning the pretrained encoder remarkably surpasses the conventional ``supervised learning'' (SL) trained from scratch. However, it is still unclear 1) how MRP performs semantic feature learning in the pretraining phase and 2) why it helps in downstream tasks. To solve these problems, we first theoretically show that on an auto-encoder of a two/one-layered convolution encoder/decoder, MRP can capture all discriminative features of each potential semantic class in the pretraining dataset. Then considering the fact that the pretraining dataset is of huge size and high diversity and thus covers most features in downstream dataset, in fine-tuning phase, the pretrained encoder can capture as much features as it can in downstream datasets, and would not lost these features with theoretical guarantees. In contrast, SL only randomly captures some features due to lottery ticket hypothesis. So MRP provably achieves better performance than SL on the classification tasks. Experimental results testify to our data assumptions and also our theoretical implications.
What Do Self-Supervised Vision Transformers Learn?
Venue: Conference ICLR 2023
Year: 2023

We present a comparative study on how and why contrastive learning (CL) and masked image modeling (MIM) differ in their representations and in their performance of downstream tasks. In particular, we demonstrate that self-supervised Vision Transformers (ViTs) have the following properties: (1) CL trains self-attentions to capture longer-range global patterns than MIM, such as the shape of an object, especially in the later layers of the ViT architecture. This CL property helps ViTs linearly separate images in their representation spaces. However, it also makes the self-attentions collapse into homogeneity for all query tokens and heads. Such homogeneity of self-attention reduces the diversity of representations, worsening scalability and dense prediction performance. (2) CL utilizes the low-frequency signals of the representations, but MIM utilizes high-frequencies. Since low- and high-frequency information respectively represent shapes and textures, CL is more shape-oriented and MIM more texture-oriented. (3) CL plays a crucial role in the later layers, while MIM mainly focuses on the early layers. Upon these analyses, we find that CL and MIM can complement each other and observe that even the simplest harmonization can help leverage the advantages of both methods. The code is available at https://github.com/naver-ai/cl-vs-mim.
MetaGL: Evaluation-Free Selection of Graph Learning Models via Meta-Learning
Venue: Conference ICLR 2023
Year: 2023

Given a graph learning task, such as link prediction, on a new graph, how can we select the best method as well as its hyperparameters (collectively called a model) without having to train or evaluate any model on the new graph? Model selection for graph learning has been largely ad hoc. A typical approach has been to apply popular methods to new datasets, but this is often suboptimal. On the other hand, systematically comparing models on the new graph quickly becomes too costly, or even impractical. In this work, we develop the first meta-learning approach for evaluation-free graph learning model selection, called MetaGL, which utilizes the prior performances of existing methods on various benchmark graph datasets to automatically select an effective model for the new graph, without any model training or evaluations. To quantify similarities across a wide variety of graphs, we introduce specialized meta-graph features that capture the structural characteristics of a graph. Then we design G-M network, which represents the relations among graphs and models, and develop a graph-based meta-learner operating on this G-M network, which estimates the relevance of each model to different graphs. Extensive experiments show that using MetaGL to select a model for the new graph greatly outperforms several existing meta-learning techniques tailored for graph learning model selection (up to 47% better), while being extremely fast at test time (~1 sec).
Leveraging Future Relationship Reasoning for Vehicle Trajectory Prediction
Venue: Conference ICLR 2023
Year: 2023

Understanding the interaction between multiple agents is crucial for realistic vehicle trajectory prediction. Existing methods have attempted to infer the interaction from the observed past trajectories of agents using pooling, attention, or graph-based methods, which rely on a deterministic approach. However, these methods can fail under complex road structures, as they cannot predict various interactions that may occur in the future. In this paper, we propose a novel approach that uses lane information to predict a stochastic future relationship among agents. To obtain a coarse future motion of agents, our method first predicts the probability of lane-level waypoint occupancy of vehicles. We then utilize the temporal probability of passing adjacent lanes for each agent pair, assuming that agents passing adjacent lanes will highly interact. We also model the interaction using a probabilistic distribution, which allows for multiple possible future interactions. The distribution is learned from the posterior distribution of interaction obtained from ground truth future trajectories. We validate our method on popular trajectory prediction datasets: nuScenes and Argoverse. The results show that the proposed method brings remarkable performance gain in prediction accuracy, and achieves state-of-the-art performance in long-term prediction benchmark dataset.
Bidirectional Language Models Are Also Few-shot Learners
Venue: Conference ICLR 2023
Year: 2023

Large language models such as GPT-3 (Brown et al., 2020) can perform arbitrary tasks without undergoing fine-tuning after being prompted with only a few labeled examples. An arbitrary task can be reformulated as a natural language prompt, and a language model can be asked to generate the completion, indirectly performing the task in a paradigm known as prompt-based learning. To date, emergent prompt-based learning capabilities have mainly been demonstrated for unidirectional language models. However, bidirectional language models pre-trained on denoising objectives such as masked language modeling produce stronger learned representations for transfer learning. This motivates the possibility of prompting bidirectional models, but their pre-training objectives have made them largely incompatible with the existing prompting paradigm. We present SAP (Sequential Autoregressive Prompting), a technique that enables the prompting of bidirectional models. Utilizing the machine translation task as a case study, we prompt the bidirectional mT5 model (Xue et al., 2021) with SAP and demonstrate its few-shot and zero-shot translations outperform the few-shot translations of unidirectional models like GPT-3 and XGLM (Lin et al., 2021), despite mT5's approximately 50% fewer parameters. We further show SAP is effective on question answering and summarization. For the first time, our results demonstrate prompt-based learning is an emergent property of a broader class of language models, rather than only unidirectional models.
MARS: Meta-learning as Score Matching in the Function Space
Venue: Conference ICLR 2023
Year: 2023

Meta-learning aims to extract useful inductive biases from a set of related datasets. In Bayesian meta-learning, this is typically achieved by constructing a prior distribution over neural network parameters. However, specifying families of computationally viable prior distributions over the high-dimensional neural network parameters is difficult. As a result, existing approaches resort to meta-learning restrictive diagonal Gaussian priors, severely limiting their expressiveness and performance. To circumvent these issues, we approach meta-learning through the lens of functional Bayesian neural network inference, which views the prior as a stochastic process and performs inference in the function space. Specifically, we view the meta-training tasks as samples from the data-generating process and formalize meta-learning as empirically estimating the law of this stochastic process. Our approach can seamlessly acquire and represent complex prior knowledge by meta-learning the score function of the data-generating process marginals instead of parameter space priors. In a comprehensive benchmark, we demonstrate that our method achieves state-of-the-art performance in terms of predictive accuracy and substantial improvements in the quality of uncertainty estimates.
Probabilistically Robust Recourse: Navigating the Trade-offs between Costs and Robustness in Algorithmic Recourse
Venue: Conference ICLR 2023
Year: 2023

As machine learning models are increasingly being employed to make consequential decisions in real-world settings, it becomes critical to ensure that individuals who are adversely impacted (e.g., loan denied) by the predictions of these models are provided with a means for recourse. While several approaches have been proposed to construct recourses for affected individuals, the recourses output by these methods either achieve low costs (i.e., ease-of-implementation) or robustness to small perturbations (i.e., noisy implementations of recourses), but not both due to the inherent trade-offs between the recourse costs and robustness. Furthermore, prior approaches do not provide end users with any agency over navigating the aforementioned trade-offs. In this work, we address the above challenges by proposing the first algorithmic framework which enables users to effectively manage the recourse cost vs. robustness trade-offs. More specifically, our framework Probabilistically ROBust rEcourse (\texttt{PROBE}) lets users choose the probability with which a recourse could get invalidated (recourse invalidation rate) if small changes are made to the recourse i.e., the recourse is implemented somewhat noisily. To this end, we propose a novel objective function which simultaneously minimizes the gap between the achieved (resulting) and desired recourse invalidation rates, minimizes recourse costs, and also ensures that the resulting recourse achieves a positive model prediction. We develop novel theoretical results to characterize the recourse invalidation rates corresponding to any given instance w.r.t. different classes of underlying models (e.g., linear models, tree based models etc.), and leverage these results to efficiently optimize the proposed objective. Experimental evaluation with multiple real world datasets demonstrates the efficacy of the proposed framework.