OpenRaiser/Intern-Atlas huggingface dataset:
Detecting Adversarial Data by Probing Multiple Perturbations Using Expected Perturbation Score
Venue: Conference ICML 2023
Year: 2023

Adversarial detection aims to determine whether a given sample is an adversarial one based on the discrepancy between natural and adversarial distributions. Unfortunately, estimating or comparing two data distributions is extremely difficult, especially in high-dimension spaces. Recently, the gradient of log probability density (a.k.a., score) w.r.t. the sample is used as an alternative statistic to compute. However, we find that the score is sensitive in identifying adversarial samples due to insufficient information with one sample only. In this paper, we propose a new statistic called expected perturbation score (EPS), which is essentially the expected score of a sample after various perturbations. Specifically, to obtain adequate information regarding one sample, we perturb it by adding various noises to capture its multi-view observations. We theoretically prove that EPS is a proper statistic to compute the discrepancy between two samples under mild conditions. In practice, we can use a pre-trained diffusion model to estimate EPS for each sample. Last, we propose an EPS-based adversarial detection (EPS-AD) method, in which we develop EPS-based maximum mean discrepancy (MMD) as a metric to measure the discrepancy between the test sample and natural samples. We also prove that the EPS-based MMD between natural and adversarial samples is larger than that among natural samples. Extensive experiments show the superior adversarial detection performance of our EPS-AD.
Differentiable and Transportable Structure Learning
Venue: Conference ICML 2023
Year: 2023

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in their structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. We introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function while remaining fully differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.
Towards Unbiased Training in Federated Open-world Semi-supervised Learning
Venue: Conference ICML 2023
Year: 2023

Federated Semi-supervised Learning (FedSSL) has emerged as a new paradigm for allowing distributed clients to collaboratively train a machine learning model over scarce labeled data and abundant unlabeled data. However, existing works for FedSSL rely on a closed-world assumption that all local training data and global testing data are from seen classes observed in the labeled dataset. It is crucial to go one step further: adapting FL models to an open-world setting, where unseen classes exist in the unlabeled data. In this paper, we propose a novel Federatedopen-world Semi-Supervised Learning (FedoSSL) framework, which can solve the key challenge in distributed and open-world settings, i.e., the biased training process for heterogeneously distributed unseen classes. Specifically, since the advent of a certain unseen class depends on a client basis, the locally unseen classes (exist in multiple clients) are likely to receive differentiated superior aggregation effects than the globally unseen classes (exist only in one client). We adopt an uncertainty-aware suppressed loss to alleviate the biased training between locally unseen and globally unseen classes. Besides, we enable a calibration module supplementary to the global aggregation to avoid potential conflicting knowledge transfer caused by inconsistent data distribution among different clients. The proposed FedoSSL can be easily adapted to state-of-the-art FL methods, which is also validated via extensive experiments on benchmarks and real-world datasets (CIFAR-10, CIFAR-100 and CINIC-10).
A Category-theoretical Meta-analysis of Definitions of Disentanglement
Venue: Conference ICML 2023
Year: 2023

Disentangling the factors of variation in data is a fundamental concept in machine learning and has been studied in various ways by different researchers, leading to a multitude of definitions. Despite the numerous empirical studies, more theoretical research is needed to fully understand the defining properties of disentanglement and how different definitions relate to each other. This paper presents a meta-analysis of existing definitions of disentanglement, using category theory as a unifying and rigorous framework. We propose that the concepts of the cartesian and monoidal products should serve as the core of disentanglement. With these core concepts, we show the similarities and crucial differences in dealing with (i) functions, (ii) equivariant maps, (iii) relations, and (iv) stochastic maps. Overall, our meta-analysis deepens our understanding of disentanglement and its various formulations and can help researchers navigate different definitions and choose the most appropriate one for their specific context.
Learning Regions of Interest for Bayesian Optimization with Adaptive Level-Set Estimation
Venue: Conference ICML 2023
Year: 2023

We study Bayesian optimization (BO) in high-dimensional and non-stationary scenarios. Existing algorithms for such scenarios typically require extensive hyperparameter tuning, which limits their practical effectiveness. We propose a framework, called BALLET, which adaptively filters for a high-confidence region of interest (ROI) as a superlevel-set of a nonparametric probabilistic model such as a Gaussian process (GP). Our approach is easy to tune, and is able to focus on local region of the optimization space that can be tackled by existing BO methods. The key idea is to use two probabilistic models: a coarse GP to identify the ROI, and a localized GP for optimization within the ROI. We show theoretically that BALLET can efficiently shrink the search space, and can exhibit a tighter regret bound than standard BO without ROI filtering. We demonstrate empirically the effectiveness of BALLET on both synthetic and real-world optimization tasks.
On the Generalization of Multi-modal Contrastive Learning
Venue: Conference ICML 2023
Year: 2023

Multi-modal contrastive learning (MMCL) has recently garnered considerable interest due to its superior performance in visual tasks, achieved by embedding multi-modal data, such as visual-language pairs. However, there still lack theoretical understandings of how MMCL extracts useful visual representation from multi-modal pairs, and particularly, how MMCL outperforms previous approaches like self-supervised contrastive learning (SSCL). In this paper, by drawing an intrinsic connection between MMCL and asymmetric matrix factorization, we establish the first generalization guarantees of MMCL for visual downstream tasks. Based on this framework, we further unify MMCL and SSCL by showing that MMCL implicitly performs SSCL with (pseudo) positive pairs induced by text pairs. Through this unified perspective, we characterize the advantage of MMCL by showing that text pairs induce more semantically consistent and diverse positive pairs, which, according to our analysis, provably benefit downstream generalization. Inspired by this finding, we propose CLIP-guided resampling methods to significantly improve the downstream performance of SSCL on ImageNet by leveraging multi-modal information. Code is available at https://github.com/PKU-ML/CLIP-Help-SimCLR.
ConCerNet: A Contrastive Learning Based Framework for Automated Conservation Law Discovery and Trustworthy Dynamical System Prediction
Venue: Conference ICML 2023
Year: 2023

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to improve the trustworthiness of the DNN based dynamics modeling to endow the invariant properties. ConCerNet consists of two steps: (i) a contrastive learning method to automatically capture the system invariants (i.e. conservation properties) along the trajectory observations; (ii) a neural projection layer to guarantee that the learned dynamics models preserve the learned invariants. We theoretically prove the functional relationship between the learned latent representation and the unknown system invariant function. Experiments show that our method consistently outperforms the baseline neural networks in both coordinate error and conservation metrics by a large margin. With neural network based parameterization and no dependence on prior knowledge, our method can be extended to complex and large-scale dynamics by leveraging an autoencoder.
AdaNPC: Exploring Non-Parametric Classifier for Test-Time Adaptation
Venue: Conference ICML 2023
Year: 2023

Many recent machine learning tasks focus to develop models that can generalize to unseen distributions. Domain generalization (DG) has become one of the key topics in various fields. Several literatures show that DG can be arbitrarily hard without exploiting target domain information. To address this issue, test-time adaptive (TTA) methods are proposed. Existing TTA methods require offline target data or extra sophisticated optimization procedures during the inference stage. In this work, we adopt Non-Parametric Classifier to perform the test-time Adaptation (AdaNPC). In particular, we construct a memory that contains the feature and label pairs from training domains. During inference, given a test instance, AdaNPC first recalls K closed samples from the memory to vote for the prediction, and then the test feature and predicted label are added to the memory. In this way, the sample distribution in the memory can be gradually changed from the training distribution towards the test distribution with very little extra computation cost. We theoretically justify the rationality behind the proposed method. Besides, we test our model on extensive numerical experiments. AdaNPC significantly outperforms competitive baselines on various DG benchmarks. In particular, when the adaptation target is a series of domains, the adaptation accuracy of AdaNPC is 50% higher than advanced TTA methods. The code is available at https://github.com/yfzhang114/AdaNPC.
Towards Trustworthy Explanation: On Causal Rationalization
Venue: Conference ICML 2023
Year: 2023

With recent advances in natural language processing, rationalization becomes an essential self-explaining diagram to disentangle the black box by selecting a subset of input texts to account for the major variation in prediction. Yet, existing association-based approaches on rationalization cannot identify true rationales when two or more snippets are highly inter-correlated and thus provide a similar contribution to prediction accuracy, so-called spuriousness. To address this limitation, we novelly leverage two causal desiderata, non-spuriousness and efficiency, into rationalization from the causal inference perspective. We formally define a series of probabilities of causation based on a newly proposed structural causal model of rationalization, with its theoretical identification established as the main component of learning necessary and sufficient rationales. The superior performance of the proposed causal rationalization is demonstrated on real-world review and medical datasets with extensive experiments compared to state-of-the-art methods.
Polyhedral Complex Extraction from ReLU Networks using Edge Subdivision
Venue: Conference ICML 2023
Year: 2023

A neural network consisting of piecewise affine building blocks, such as fully-connected layers and ReLU activations, is itself a piecewise affine function supported on a polyhedral complex. This complex has been previously studied to characterize theoretical properties of neural networks, but, in practice, extracting it remains a challenge due to its high combinatorial complexity. A natural idea described in previous works is to subdivide the regions via intersections with hyperplanes induced by each neuron. However, we argue that this view leads to computational redundancy. Instead of regions, we propose to subdivide edges, leading to a novel method for polyhedral complex extraction. A key to this are sign-vectors, which encode the combinatorial structure of the complex. Our approach allows to use standard tensor operations on a GPU, taking seconds for millions of cells on a consumer grade machine. Motivated by the growing interest in neural shape representation, we use the speed and differentiability of our method to optimize geometric properties of the complex. The code is available at https://github.com/arturs-berzins/relu_edge_subdivision .
Provable Dynamic Fusion for Low-Quality Multimodal Data
Venue: Conference ICML 2023
Year: 2023

The inherent challenge of multimodal fusion is to precisely capture the cross-modal correlation and flexibly conduct cross-modal interaction. To fully release the value of each modality and mitigate the influence of low-quality multimodal data, dynamic multimodal fusion emerges as a promising learning paradigm. Despite its widespread use, theoretical justifications in this field are still notably lacking. Can we design a provably robust multimodal fusion method? This paper provides theoretical understandings to answer this question under a most popular multimodal fusion framework from the generalization perspective. We proceed to reveal that several uncertainty estimation solutions are naturally available to achieve robust multimodal fusion. Then a novel multimodal fusion framework termed Quality-aware Multimodal Fusion (QMF) is proposed, which can improve the performance in terms of classification accuracy and model robustness. Extensive experimental results on multiple benchmarks can support our findings.
Do You Remember? Overcoming Catastrophic Forgetting for Fake Audio Detection
Venue: Conference ICML 2023
Year: 2023

Current fake audio detection algorithms have achieved promising performances on most datasets. However, their performance may be significantly degraded when dealing with audio of a different dataset. The orthogonal weight modification to overcome catastrophic forgetting does not consider the similarity of genuine audio across different datasets. To overcome this limitation, we propose a continual learning algorithm for fake audio detection to overcome catastrophic forgetting, called Regularized Adaptive Weight Modification (RAWM). When fine-tuning a detection network, our approach adaptively computes the direction of weight modification according to the ratio of genuine utterances and fake utterances. The adaptive modification direction ensures the network can effectively detect fake audio on the new dataset while preserving its knowledge of old model, thus mitigating catastrophic forgetting. In addition, genuine audio collected from quite different acoustic conditions may skew their feature distribution, so we introduce a regularization constraint to force the network to remember the old distribution in this regard. Our method can easily be generalized to related fields, like speech emotion recognition. We also evaluate our approach across multiple datasets and obtain a significant performance improvement on cross-dataset experiments.
ReDi: Efficient Learning-Free Diffusion Inference via Trajectory Retrieval
Venue: Conference ICML 2023
Year: 2023

Diffusion models show promising generation capability for a variety of data. Despite their high generation quality, the inference for diffusion models is still time-consuming due to the numerous sampling iterations required. To accelerate the inference, we propose ReDi, a simple yet learning-free Retrieval-based Diffusion sampling framework. From a precomputed knowledge base, ReDi retrieves a trajectory similar to the partially generated trajectory at an early stage of generation, skips a large portion of intermediate steps, and continues sampling from a later step in the retrieved trajectory. We theoretically prove that the generation performance of ReDi is guaranteed. Our experiments demonstrate that ReDi improves the model inference efficiency by 2x speedup. Furthermore, ReDi is able to generalize well in zero-shot cross-domain image generation such as image stylization.
OpenFE: Automated Feature Generation with Expert-level Performance
Venue: Conference ICML 2023
Year: 2023

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.
Unlocking Slot Attention by Changing Optimal Transport Costs
Venue: Conference ICML 2023
Year: 2023

Slot attention is a powerful method for object-centric modeling in images and videos. However, its set-equivariance limits its ability to handle videos with a dynamic number of objects because it cannot break ties. To overcome this limitation, we first establish a connection between slot attention and optimal transport. Based on this new perspective we propose MESH (Minimize Entropy of Sinkhorn): a cross-attention module that combines the tiebreaking properties of unregularized optimal transport with the speed of regularized optimal transport. We evaluate slot attention using MESH on multiple object-centric learning benchmarks and find significant improvements over slot attention in every setting.
Does Continual Learning Equally Forget All Parameters?
Venue: Conference ICML 2023
Year: 2023

Distribution shift (e.g., task or domain shift) in continual learning (CL) usually results in catastrophic forgetting of neural networks. Although it can be alleviated by repeatedly replaying buffered data, the every-step replay is time-consuming. In this paper, we study which modules in neural networks are more prone to forgetting by investigating their training dynamics during CL. Our proposed metrics show that only a few modules are more task-specific and sensitively alter between tasks, while others can be shared across tasks as common knowledge. Hence, we attribute forgetting mainly to the former and find that finetuning them only on a small buffer at the end of any CL method can bring non-trivial improvement. Due to the small number of finetuned parameters, such ``Forgetting Prioritized Finetuning (FPF)'' is efficient in computation. We further propose a more efficient and simpler method that entirely removes the every-step replay and replaces them by only $k$-times of FPF periodically triggered during CL. Surprisingly, this ``$k$-FPF'' performs comparably to FPF and outperforms the SOTA CL methods but significantly reduces their computational overhead and cost. In experiments on several benchmarks of class- and domain-incremental CL, FPF consistently improves existing CL methods by a large margin, and $k$-FPF further excels in efficiency without degrading the accuracy. We also empirically studied the impact of buffer size, epochs per task, and finetuning modules on the cost and accuracy of our methods.
Men Also Do Laundry: Multi-Attribute Bias Amplification
Venue: Conference ICML 2023
Year: 2023

As computer vision systems become more widely deployed, there is increasing concern from both the research community and the public that these systems are not only reproducing but amplifying harmful social biases. The phenomenon of bias amplification, which is the focus of this work, refers to models amplifying inherent training set biases at test time. Existing metrics measure bias amplification with respect to single annotated attributes (e.g., $\texttt{computer}$). However, several visual datasets consist of images with multiple attribute annotations. We show models can learn to exploit correlations with respect to multiple attributes (e.g., {$\texttt{computer}$, $\texttt{keyboard}$}), which are not accounted for by current metrics. In addition, we show current metrics can give the erroneous impression that minimal or no bias amplification has occurred as they involve aggregating over positive and negative values. Further, these metrics lack a clear desired value, making them difficult to interpret. To address these shortcomings, we propose a new metric: Multi-Attribute Bias Amplification. We validate our proposed metric through an analysis of gender bias amplification on the COCO and imSitu datasets. Finally, we benchmark bias mitigation methods using our proposed metric, suggesting possible avenues for future bias mitigation
Rockmate: an Efficient, Fast, Automatic and Generic Tool for Re-materialization in PyTorch
Venue: Conference ICML 2023
Year: 2023

We propose Rockmate to control the memory requirements when training PyTorch DNN models. Rockmate is an automatic tool that starts from the model code and generates an equivalent model, using a predefined amount of memory for activations, at the cost of a few re-computations. Rockmate automatically detects the structure of computational and data dependencies and rewrites the initial model as a sequence of complex blocks. We show that such a structure is widespread and can be found in many models in the literature (Transformer based models, ResNet, RegNets,...). This structure allows us to solve the problem in a fast and efficient way, using an adaptation of Checkmate (too slow on the whole model but general) at the level of individual blocks and an adaptation of Rotor (fast but limited to sequential models) at the level of the sequence itself. We show through experiments on many models that Rockmate is as fast as Rotor and as efficient as Checkmate, and that it allows in many cases to obtain a significantly lower memory consumption for activations (by a factor of 2 to 5) for a rather negligible overhead (of the order of 10% to 20%). Rockmate is open source and available at https://github.com/topal-team/rockmate.