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Probabilistic Methods · Everything Else

Sanghyuk Chun

Image-Text Matching (ITM) task, a fundamental vision-language (VL) task, suffers from the inherent ambiguity arising from multiplicity and imperfect annotations. Deterministic functions are not sufficiently powerful to capture ambiguity, prompting the exploration of probabilistic embeddings to tackle the challenge. However, the existing probabilistic ITM approach encounters two key shortcomings; the burden of heavy computations due to the Monte Carlo approximation, and the loss saturation issue in the face of abundant false negatives. To overcome the issues, this paper presents an improved Probabilistic Cross-Modal Embeddings (named PCME++) by introducing a new probabilistic distance with a closed-form solution. In addition, two optimization techniques are proposed to enhance PCME++ further: first, the incorporation of pseudo-positives to prevent the negative effect under massive false negatives; second, mixed sample data augmentation for probabilistic matching. Experimental results on MS-COCO Caption and two extended benchmarks, CxC and ECCV Caption, demonstrate the effectiveness of PCME++ compared to state-of-the-art ITM methods. The robustness of PCME++ is also evaluated under noisy image-text correspondences. In addition, the potential applicability of PCME++ in automatic prompt-filtering for zero-shot classification is shown. The code is available at https://github.com/naver-ai/pcmepp.

Theory

Arturs Backurs, Zinan Lin, Sepideh Mahabadi, Sandeep Silwal, Jakub Tarnawski

Many methods in differentially private model training rely on computing the similarity between a query point (such as public or synthetic data) and private data. We abstract out this common subroutine and study the following fundamental algorithmic problem: Given a similarity function $f$ and a large high-dimensional private dataset $X \subset \mathbb{R}^d$, output a differentially private (DP) data-structure which approximates $\sum_{x \in X} f(x,y)$ for any query $y$. We consider the cases where $f$ is a kernel function, such as $f(x,y) = e^{-\|x-y\|_2^2/\sigma^2}$ (also known as DP kernel density estimation), or a distance function such as $f(x,y) = \|x-y\|_2$, among others. Our theoretical results improve upon prior work and give better privacy-utility trade-offs as well as faster query times for a wide range of kernels and distance functions. The unifying approach behind our results is leveraging `low-dimensional structures' present in the specific functions $f$ that we study, using tools such as provable dimensionality reduction, approximation theory, and one-dimensional decomposition of the functions. Our algorithms empirically exhibit improved query times and accuracy over prior state of the art. We also present an application to DP classification. Our experiments demonstrate that the simple methodology of classifying based on average similarity is orders of magnitude faster than prior DP-SGD based approaches for comparable accuracy.

Social Aspects · Trustworthy Machine Learning

Benjamin Schneider, Nils Lukas, Florian Kerschbaum

Web-scraped datasets are vulnerable to data poisoning, which can be used for backdooring deep image classifiers during training. Since training on large datasets is expensive, a model is trained once and reused many times. Unlike adversarial examples, backdoor attacks often target specific classes rather than any class learned by the model. One might expect that targeting many classes through a naïve composition of attacks vastly increases the number of poison samples. We show this is not necessarily true and more efficient, _universal_ data poisoning attacks exist that allow controlling misclassifications from any source class into any target class with a slight increase in poison samples. Our idea is to generate triggers with salient characteristics that the model can learn. The triggers we craft exploit a phenomenon we call _inter-class poison transferability_, where learning a trigger from one class makes the model more vulnerable to learning triggers for other classes. We demonstrate the effectiveness and robustness of our universal backdoor attacks by controlling models with up to 6,000 classes while poisoning only 0.15% of the training dataset.

Gautam Reddy Nallamala

Transformer models exhibit in-context learning: the ability to accurately predict the response to a novel query based on illustrative examples in the input sequence, which contrasts with traditional in-weights learning of query-output relationships. What aspects of the training data distribution and architecture favor in-context vs in-weights learning? Recent work has shown that specific distributional properties inherent in language, such as burstiness, large dictionaries and skewed rank-frequency distributions, control the trade-off or simultaneous appearance of these two forms of learning. We first show that these results are recapitulated in a minimal attention-only network trained on a simplified dataset. In-context learning (ICL) is driven by the abrupt emergence of an induction head, which subsequently competes with in-weights learning. By identifying progress measures that precede in-context learning and targeted experiments, we construct a two-parameter model of an induction head which emulates the full data distributional dependencies displayed by the attention-based network. A phenomenological model of induction head formation traces its abrupt emergence to the sequential learning of three nested logits enabled by an intrinsic curriculum. We propose that the sharp transitions in attention-based networks arise due to a specific chain of multi-layer operations necessary to achieve ICL, which is implemented by nested nonlinearities sequentially learned during training.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Sung Moon Ko, Sumin Lee, Dae-Woong Jeong, Woohyung Lim, Sehui Han

Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data. However, most of the existing methods are focused on classification tasks using images and language datasets. Therefore, in order to expand the transfer learning scheme to regression tasks, we propose a novel transfer technique based on differential geometry, namely the Geometrically Aligned Transfer Encoder (${\it GATE}$). In this method, we interpret the latent vectors from the model to exist on a Riemannian curved manifold. We find a proper diffeomorphism between pairs of tasks to ensure that every arbitrary point maps to a locally flat coordinate in the overlapping region, allowing the transfer of knowledge from the source to the target data. This also serves as an effective regularizer for the model to behave in extrapolation regions. In this article, we demonstrate that ${\it GATE}$ outperforms conventional methods and exhibits stable behavior in both the latent space and extrapolation regions for various molecular graph datasets.

Applications · Computer Vision

Xindi Yang, Zeke Xie, Xiong Zhou, Boyu Liu, Buhua Liu, Yi Liu, Haoran Wang, YUNFENG CAI, Mingming Sun

Neural field methods have seen great progress in various long-standing tasks in computer vision and computer graphics, including novel view synthesis and geometry reconstruction. As existing neural field methods try to predict some coordinate-based continuous target values, such as RGB for Neural Radiance Field (NeRF), all of these methods are regression models and are optimized by some regression loss. However, are regression models really better than classification models for neural field methods? In this work, we try to visit this very fundamental but overlooked question for neural fields from a machine learning perspective. We successfully propose a novel Neural Field Classifier (NFC) framework which formulates existing neural field methods as classification tasks rather than regression tasks. The proposed NFC can easily transform arbitrary Neural Field Regressor (NFR) into its classification variant via employing a novel Target Encoding module and optimizing a classification loss. By encoding a continuous regression target into a high-dimensional discrete encoding, we naturally formulate a multi-label classification task. Extensive experiments demonstrate the impressive effectiveness of NFC at the nearly free extra computational costs. Moreover, NFC also shows robustness to sparse inputs, corrupted images, and dynamic scenes.

Deep Learning · Graph Neural Networks

Haoyu Han, Xiaorui Liu, Li Ma, MohamadAli Torkamani, Hui Liu, Jiliang Tang, Makoto Yamada

Graph Neural Networks (GNNs) have seen significant achievements in semi-supervised node classification. Yet, their efficacy often hinges on access to high-quality labeled node samples, which may not always be available in real-world scenarios. While active learning is commonly employed across various domains to pinpoint and label high-quality samples based on data features, graph data present unique challenges due to their intrinsic structures that render nodes non-i.i.d. Furthermore, biases emerge from the positioning of labeled nodes; for instance, nodes closer to the labeled counterparts often yield better performance. To better leverage graph structure and mitigate structural bias in active learning, we present a unified optimization framework (SCARCE), which is also easily incorporated with node features. Extensive experiments demonstrate that the proposed method not only improves the GNNs performance but also paves the way for more fair results.

Miscellaneous Aspects of Machine Learning · Representation Learning

Jonathan Brokman, Roy Betser, Rotem Turjeman, Tom Berkov, Ido Cohen, Guy Gilboa

As neural networks grow in scale, their training becomes both computationally demanding and rich in dynamics. Amidst the flourishing interest in these training dynamics, we present a novel observation: Parameters during training exhibit intrinsic correlations over time. Capitalizing on this, we introduce \emph{correlation mode decomposition} (CMD). This algorithm clusters the parameter space into groups, termed modes, that display synchronized behavior across epochs. This enables CMD to efficiently represent the training dynamics of complex networks, like ResNets and Transformers, using only a few modes. Moreover, test set generalization is enhanced. We introduce an efficient CMD variant, designed to run concurrently with training. Our experiments indicate that CMD surpasses the state-of-the-art method for compactly modeled dynamics on image classification. Our modeling can improve training efficiency and lower communication overhead, as shown by our preliminary experiments in the context of federated learning.

Miscellaneous Aspects of Machine Learning · Supervised Learning

Anirudh Buvanesh, Rahul Chand, Jatin Prakash, Bhawna Paliwal, Mudit Dhawan, Neelabh Madan, Deepesh Hada, Vidit Jain, Sonu Mehta, Yashoteja Prabhu 等

Extreme Classification (XC) architectures, which utilize a massive One-vs-All (OvA) classifier layer at the output, have demonstrated remarkable performance on problems with large label sets. Nonetheless, these architectures falter on tail labels with few representative samples. This phenomenon has been attributed to factors such as classifier over-fitting and missing label bias, and solutions involving regularization and loss re-calibration have been developed. This paper explores the impact of label variance - a previously unexamined factor - on the tail performance in extreme classifiers. It also develops a method to systematically reduce label variance in XC by transferring the knowledge from a specialized tail-robust teacher model to the OvA classifiers. For this purpose, it proposes a principled knowledge distillation framework, LEVER, which enhances the tail performance in extreme classifiers with formal guarantees on generalization. Comprehensive experiments are conducted on a diverse set of XC datasets, demonstrating that LEVER can enhance tail performance by around 5\% and 6\% points in PSP and coverage metrics, respectively, when integrated with leading extreme classifiers. Moreover, it establishes a new state-of-the-art when added to the top-performing Renee classifier. Extensive ablations and analyses substantiate the efficacy of our design choices. Another significant contribution is the release of two new XC datasets that are different from and more challenging than the available benchmark datasets, thereby encouraging more rigorous algorithmic evaluation in the future. Code for LEVER is available at: aka.ms/lever.

Deep Learning · Theory

Kaifeng Lyu, Jikai Jin, Zhiyuan Li, Simon Du, Jason Lee, Wei Hu

Recent work by Power et al. (2022) highlighted a surprising "grokking" phenomenon in learning arithmetic tasks: a neural net first "memorizes" the training set, resulting in perfect training accuracy but near-random test accuracy, and after training for sufficiently longer, it suddenly transitions to perfect test accuracy. This paper studies the grokking phenomenon in theoretical setups and shows that it can be induced by a dichotomy of early and late phase implicit biases. Specifically, when training homogeneous neural nets with large initialization and small weight decay on both classification and regression tasks, we prove that the training process gets trapped at a solution corresponding to a kernel predictor for a long time, and then a very sharp transition to min-norm/max-margin predictors occurs, leading to a dramatic change in test accuracy.

Deep Learning · Robustness

Zhaowei Zhu, Jialu Wang, Hao Cheng, Yang Liu

Language models have shown promise in various tasks but can be affected by undesired data during training, fine-tuning, or alignment. For example, if some unsafe conversations are wrongly annotated as safe ones, the model fine-tuned on these samples may be harmful. Therefore, the correctness of annotations, i.e., the credibility of the dataset, is important. This study focuses on the credibility of real-world datasets, including the popular benchmarks Jigsaw Civil Comments, Anthropic Harmless & Red Team, PKU BeaverTails & SafeRLHF, that can be used for training a harmless language model. Given the cost and difficulty of cleaning these datasets by humans, we introduce a systematic framework for evaluating the credibility of datasets, identifying label errors, and evaluating the influence of noisy labels in the curated language data, specifically focusing on unsafe comments and conversation classification. With the framework, we find and fix an average of **6.16\%** label errors in **11** datasets constructed from the above benchmarks. The data credibility and downstream learning performance can be remarkably improved by directly fixing label errors, indicating the significance of cleaning existing real-world datasets. Code is available at [https://github.com/Docta-ai/docta](https://github.com/Docta-ai/docta).

Deep Learning · Graph Neural Networks

Mridul Gupta, Sahil Manchanda, HARIPRASAD KODAMANA, Sayan Ranu

GNNs, like other deep learning models, are data and computation hungry. There is a pressing need to scale training of GNNs on large datasets to enable their usage on low-resource environments. Graph distillation is an effort in that direction with the aim to construct a smaller synthetic training set from the original training data without significantly compromising model performance. While initial efforts are promising, this work is motivated by two key observations: (1) Existing graph distillation algorithms themselves rely on training with the full dataset, which undermines the very premise of graph distillation. (2) The distillation process is specific to the target GNN architecture and hyper-parameters and thus not robust to changes in the modeling pipeline. We circumvent these limitations by designing a distillation algorithm called MIRAGE for graph classification. MIRAGE is built on the insight that a message-passing GNN decomposes the input graph into a multiset of computation trees. Furthermore, the frequency distribution of computation trees is often skewed in nature, enabling us to condense this data into a concise distilled summary. By compressing the computation data itself, as opposed to emulating gradient flows on the original training set—a prevalent approach to date—MIRAGE transforms into an unsupervised and architecture-agnostic distillation algorithm. Extensive benchmarking on real-world datasets underscores MIRAGE’s superiority, showcasing enhanced generalization accuracy, data compression, and distillation efficiency when compared to state-of-the-art baselines.

Deep Learning · Attention Mechanisms

Xiangyu Zeng, Jie Lin, Piao Hu, Ruizheng Huang, Zhicheng Zhang

How humans and machines make sense of current inputs for relation reasoning and question-answering while putting the perceived information into context of our past memories, has been a challenging conundrum in cognitive science and artificial intelligence. Inspired by human brain's memory system and cognitive architectures, we propose a PMI framework that consists of perception, memory and inference components. Notably, the memory module comprises working and long-term memory, with the latter endowed with a higher-order structure to retain extensive and complex relational knowledge and experience. Through a differentiable competitive write access, current perceptions update working memory, which is later merged with long-term memory via outer product associations, reducing information conflicts and averting memory overflow. In the inference module, relevant information is retrieved from two separate memory origins and associatively integrated to attain a more comprehensive and precise interpretation of current perceptions. We exploratively apply our PMI to improve prevailing Transformers and CNN models on question-answering tasks like bAbI-20k and Sort-of-CLEVR datasets, as well as detecting equilateral triangles, language modeling and image classification tasks, and in each case, our PMI enhancements consistently outshine their original counterparts significantly. Visualization analyses reveal that relational memory consolidation, along with the interaction and integration of information from diverse memory sources, substantially contributes to the model effectiveness on inference tasks.

Gautam Reddy Nallamala

Transformer models exhibit in-context learning: the ability to accurately predict the response to a novel query based on illustrative examples in the input sequence, which contrasts with traditional in-weights learning of query-output relationships. What aspects of the training data distribution and architecture favor in-context vs in-weights learning? Recent work has shown that specific distributional properties inherent in language, such as burstiness, large dictionaries and skewed rank-frequency distributions, control the trade-off or simultaneous appearance of these two forms of learning. We first show that these results are recapitulated in a minimal attention-only network trained on a simplified dataset. In-context learning (ICL) is driven by the abrupt emergence of an induction head, which subsequently competes with in-weights learning. By identifying progress measures that precede in-context learning and targeted experiments, we construct a two-parameter model of an induction head which emulates the full data distributional dependencies displayed by the attention-based network. A phenomenological model of induction head formation traces its abrupt emergence to the sequential learning of three nested logits enabled by an intrinsic curriculum. We propose that the sharp transitions in attention-based networks arise due to a specific chain of multi-layer operations necessary to achieve ICL, which is implemented by nested nonlinearities sequentially learned during training.

Deep Learning · Other Representation Learning

Bang An, Sicheng Zhu, Michael-Andrei Panaitescu-Liess, Chaithanya Kumar Mummadi, Furong Huang

Vision-language models like CLIP are widely used in zero-shot image classification due to their ability to understand various visual concepts and natural language descriptions. However, how to fully leverage CLIP's unprecedented human-like understanding capabilities to achieve better performance is still an open question. This paper draws inspiration from the human visual perception process: when classifying an object, humans first infer contextual attributes (e.g., background and orientation) which help separate the foreground object from the background, and then classify the object based on this information. Inspired by it, we observe that providing CLIP with contextual attributes improves zero-shot image classification and mitigates reliance on spurious features. We also observe that CLIP itself can reasonably infer the attributes from an image. With these observations, we propose a training-free, two-step zero-shot classification method PerceptionCLIP. Given an image, it first infers contextual attributes (e.g., background) and then performs object classification conditioning on them. Our experiments show that PerceptionCLIP achieves better generalization, group robustness, and interpretability.

Applications · Genetics, Cell Biology, etc

Zhihan Zhou, Yanrong Ji, Weijian Li, Pratik Dutta, Ramana Davuluri, Han Liu

Decoding the linguistic intricacies of the genome is a crucial problem in biology, and pre-trained foundational models such as DNABERT and Nucleotide Transformer have made significant strides in this area. Existing works have largely hinged on k-mer, fixed-length permutations of A, T, C, and G, as the token of the genome language due to its simplicity. However, we argue that the computation and sample inefficiencies introduced by k-mer tokenization are primary obstacles in developing large genome foundational models. We provide conceptual and empirical insights into genome tokenization, building on which we propose to replace k-mer tokenization with Byte Pair Encoding (BPE), a statistics-based data compression algorithm that constructs tokens by iteratively merging the most frequent co-occurring genome segment in the corpus. We demonstrate that BPE not only overcomes the limitations of k-mer tokenization but also benefits from the computational efficiency of non-overlapping tokenization.Based on these insights, we introduce DNABERT-2, a refined genome foundation model that adapts an efficient tokenizer and employs multiple strategies to overcome input length constraints, reduce time and memory expenditure, and enhance model capability. Furthermore, we identify the absence of a comprehensive and standardized benchmark for genome understanding as another significant impediment to fair comparative analysis. In response, we propose the Genome Understanding Evaluation (GUE), a comprehensive multi-species genome classification dataset that amalgamates $36$ distinct datasets across $9$ tasks, with input lengths ranging from $70$ to $10000$. Through comprehensive experiments on the GUE benchmark, we demonstrate that DNABERT-2 achieves comparable performance to the state-of-the-art model with $21 \times$ fewer parameters and approximately $92 \times$ less GPU time in pre-training. Compared to DNABERT, while being $3 \times$ more efficient, DNABERT-2 outperforms it on $23$ out of $28$ datasets, with an average improvement of $6$ absolute scores on GUE.The code, data, and pre-trained model are available at \url{https://github.com/MAGICS-LAB/DNABERT_2}.

Applications · Computer Vision

Xurui Li, Ziming Huang, Feng Xue, Yu Zhou

This paper studies zero-shot anomaly classification (AC) and segmentation (AS) in industrial vision.We reveal that the abundant normal and abnormal cues implicit in unlabeled test images can be exploited for anomaly determination, which is ignored by prior methods.Our key observation is that for the industrial product images, the normal image patches could find a relatively large number of similar patches in other unlabeled images,while the abnormal ones only have a few similar patches.We leverage such a discriminative characteristic to design a novel zero-shot AC/AS method by Mutual Scoring (MuSc) of the unlabeled images, which does not need any training or prompts.Specifically, we perform Local Neighborhood Aggregation with Multiple Degrees (LNAMD) to obtain the patch features that are capable of representing anomalies in varying sizes.Then we propose the Mutual Scoring Mechanism (MSM) to leverage the unlabeled test images to assign the anomaly score to each other. Furthermore, we present an optimization approach named Re-scoring with Constrained Image-level Neighborhood (RsCIN) for image-level anomaly classification to suppress the false positives caused by noises in normal images.The superior performance on the challenging MVTec AD and VisA datasets demonstrates the effectiveness of our approach. Compared with the state-of-the-art zero-shot approaches, MuSc achieves a $\textbf{21.1}$% PRO absolute gain (from 72.7\% to 93.8\%) on MVTec AD, a $\textbf{19.4}$% pixel-AP gain and a $\textbf{14.7}$% pixel-AUROC gain on VisA.In addition, our zero-shot approach outperforms most of the few-shot approaches and is comparable to some one-class methods.Code is available at https://github.com/xrli-U/MuSc.

Social Aspects · Trustworthy Machine Learning

Changbin Li, Kangshuo Li, Yuzhe Ou, Lance Kaplan, Audun Jøsang, Jin-Hee Cho, DONG HYUN JEONG, Feng Chen

Deep neural networks (DNNs) have been shown to perform well on exclusive, multi-class classification tasks. However, when different classes have similar visual features, it becomes challenging for human annotators to differentiate them. When an image is ambiguous, such as a blurry one where an annotator can't distinguish between a husky and a wolf, it may be labeled with both classes: {husky, wolf}. This scenario necessitates the use of composite set labels. In this paper, we propose a novel framework called Hyper-Evidential Neural Network (HENN) that explicitly models predictive uncertainty caused by composite set labels in training data in the context of the belief theory called Subjective Logic (SL).By placing a Grouped Dirichlet distribution on the class probabilities, we treat predictions of a neural network as parameters of hyper-subjective opinions and learn the network that collects both single and composite evidence leading to these hyper-opinions by a deterministic DNN from data.We introduce a new uncertainty type called vagueness originally designed for hyper-opinions in SL to quantify composite classification uncertainty for DNNs.Our experiments prove that HENN outperforms its state-of-the-art counterparts based on four image datasets.The code and datasets are available at: https://shorturl.at/dhoqx.

Renyu Zhang, Aly Khan, Yuxin Chen, Robert Grossman

Instance-level image classification tasks have traditionally relied on single-instance labels to train models, e.g., few-shot learning and transfer learning. However, set-level coarse-grained labels that capture relationships among instances can provide richer information in real-world scenarios. In this paper, we present a novel approach to enhance instance-level image classification by leveraging set-level labels. We provide a theoretical analysis of the proposed method, including recognition conditions for fast excess risk rate, shedding light on the theoretical foundations of our approach. We conducted experiments on two distinct categories of datasets: natural image datasets and histopathology image datasets. Our experimental results demonstrate the effectiveness of our approach, showcasing improved classification performance compared to traditional single-instance label-based methods. Notably, our algorithm achieves 13\% improvement in classification accuracy compared to the strongest baseline on the histopathology image classification benchmarks. Importantly, our experimental findings align with the theoretical analysis, reinforcing the robustness and reliability of our proposed method. This work bridges the gap between instance-level and set-level image classification, offering a promising avenue for advancing the capabilities of image classification models with set-level coarse-grained labels.

Zixi Wei, Senlin Shu, Yuzhou Cao, Hongxin Wei, Bo An, Lei Feng

Weakly supervised learning aims to construct effective predictive models from imperfectly labeled data. The recent trend of weakly supervised learning has focused on how to learn an accurate classifier from completely unlabeled data, given little supervised information such as class priors. In this paper, we consider a newly proposed weakly supervised learning problem called multi-class classification from multiple unlabeled datasets, where only multiple sets of unlabeled data and their class priors (i.e., the proportions of each class) are provided for training the classifier. To solve this problem, we first propose a classifier-consistent method (CCM) based on a probability transition matrix. However, CCM cannot guarantee risk consistency and lacks of purified supervision information during training. Therefore, we further propose a risk-consistent method (RCM) that progressively purifies supervision information during training by importance weighting. We provide comprehensive theoretical analyses for our methods to demonstrate the statistical consistency. Experimental results on multiple benchmark datasets and various prior matrices demonstrate the superiority of our proposed methods.