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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 · Generative Models and Autoencoders

Koichi Namekata, Amirmojtaba Sabour, Sanja Fidler, Seung Wook Kim

Diffusion models have recently received increasing research attention for their remarkable transfer abilities in semantic segmentation tasks. However, generating fine-grained segmentation masks with diffusion models often requires additional training on annotated datasets, leaving it unclear to what extent pre-trained diffusion models alone understand the semantic relations of their generated images. To address this question, we leverage the semantic knowledge extracted from Stable Diffusion (SD) and aim to develop an image segmentor capable of generating fine-grained segmentation maps without any additional training. The primary difficulty stems from the fact that semantically meaningful feature maps typically exist only in the spatially lower-dimensional layers, which poses a challenge in directly extracting pixel-level semantic relations from these feature maps. To overcome this issue, our framework identifies semantic correspondences between image pixels and spatial locations of low-dimensional feature maps by exploiting SD's generation process and utilizes them for constructing image-resolution segmentation maps. In extensive experiments, the produced segmentation maps are demonstrated to be well delineated and capture detailed parts of the images, indicating the existence of highly accurate pixel-level semantic knowledge in diffusion models. Project page: https://kmcode1.github.io/Projects/EmerDiff/

Optimization · Discrete and Combinatorial Optimization

Hanni Cheng, Ya Cong, Weihao Jiang, Shiliang Pu

Neural methods have shown significant merit in solving combinatorial optimization (CO) problems, including the Bin Packing Problem (BPP). However, most existing ML-based approaches focus on geometric BPP like 3DBPP, neglecting complex vector BPP. In this study, we introduce a vector BPP variant called Class-Constrained Bin Packing Problem (CCBPP), dealing with items of both classes and sizes, and the objective is to pack the items in the least amount of bins respecting the bin capacity and the number of different classes that it can hold. To enhance the efficiency and practicality of solving CCBPP, we propose a learning-based Encoder-Decoder Model. The Encoder employs a Graph Convolution Network (GCN) to generate a heat-map, representing probabilities of different items packing together. The Decoder decodes and fine-tunes the solution through Cluster Decode and Active Search methods, thereby producing high-quality solutions for CCBPP instances. Extensive experiments demonstrate that our proposed method consistently yields high-quality solutions for various kinds of CCBPP with a very small gap from the optimal. Moreover, our Encoder-Decoder Model also shows promising performance on one practical application of CCBPP, the *Manufacturing Order Consolidation Problem* (OCP).

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

LIN Yong, Fan Zhou, Lu Tan, Lintao Ma, Jianmeng Liu, Yansu HE, Yuan Yuan, Yu Liu, James Zhang, Yujiu Yang 等

Invariance learning methods aim to learn invariant features in the hope that they generalize under distributional shift. Although many tasks are naturally characterized by continuous domains, current invariance learning techniques generally assume categorically indexed domains. For example, auto-scaling in cloud computing often needs a CPU utilization prediction model that generalizes across different times (e.g., time of a day and date of a year), where `time' is a continuous domain index. In this paper, we start by theoretically showing that existing invariance learning methods can fail for continuous domain problems. Specifically, the naive solution of splitting continuous domains into discrete ones ignores the underlying relationship among domains, and therefore potentially leads to suboptimal performance. To address this challenge, we then propose Continuous Invariance Learning (CIL), which extracts invariant features across continuously indexed domains. CIL is a novel adversarial procedure which measures and controls the conditional independence between the labels and continuous domain indices given the extracted features. Our theoretical analysis demonstrates that CIL learns features that satisfy the invariant constraint with infinite samples. Empirical results on both synthetic and real-world datasets (including data collected from production systems) show that CIL consistently outperforms strong baselines among all the tasks.

Theory

Sepanta Zeighami, Cyrus Shahabi

Machine learning models have demonstrated substantial performance enhancements over non-learned alternatives in various fundamental data management operations, including indexing (locating items in an array), cardinality estimation (estimating the number of matching records in a database), and range-sum estimation (estimating aggregate attribute values for query-matched records). However, real-world systems frequently favor less efficient non-learned methods due to their ability to offer (worst-case) error guarantees — an aspect where learned approaches often fall short. The primary objective of these guarantees is to ensure system reliability, ensuring that the chosen approach consistently delivers the desired level of accuracy across all databases. In this paper, we embark on the first theoretical study of such guarantees for learned methods, presenting the necessary conditions for such guarantees to hold when using machine learning to perform indexing, cardinality estimation and range-sum estimation. Specifically, we present the first known lower bounds on the model size required to achieve the desired accuracy for these three key database operations. Our results bound the required model size for given average and worst-case errors in performing database operations, serving as the first theoretical guidelines governing how model size must change based on data size to be able to guarantee an accuracy level. More broadly, our established guarantees pave the way for the broader adoption and integration of learned models into real-world systems.

Deep Learning · Large Language Models

Dan Fu, Hermann Kumbong, Eric Nguyen, Christopher Re

Convolution models with long filters have demonstrated state-of-the-art reasoning abilities in many long-sequence tasks but lag behind the most optimized Transformers in wall-clock time.A major bottleneck is the Fast Fourier Transform (FFT)---which allows long convolutions to run in $O(N\log N)$ time in sequence length $N$ but has poor hardware utilization.In this paper, we study how to optimize the FFT convolution.We find two key bottlenecks: the FFT does not effectively use specialized matrix multiply units, and it incurs expensive I/O between layers of the memory hierarchy.In response, we propose FlashFFTConv.FlashFFTConv uses a matrix decomposition that computes the FFT using matrix multiply units and enables kernel fusion for long sequences, reducing I/O.We also present two sparse convolution algorithms---1) partial convolutions and 2) frequency-sparse convolutions---which can be implemented simply by skipping blocks in the matrix decomposition, enabling further opportunities for memory and compute savings.FlashFFTConv speeds up exact FFT convolutions by up to 8.7$\times$ over PyTorch and achieves up to 4.4$\times$ speedup end-to-end.Given the same compute budget, FlashFFTConv allows Hyena-GPT-s to achieve 2.3 points better perplexity and M2-BERT-base to achieve 3.3 points higher GLUE score---matching models with twice the parameter count.FlashFFTConv also achieves 96.1% accuracy on Path-512, a high-resolution vision task where no model had previously achieved better than 50%.Furthermore, partial convolutions enable longer-sequence models---yielding the first DNA model that can process the longest human genes (2.3M base pairs)---and frequency-sparse convolutions speed up pretrained models while maintaining or improving model quality.

Probabilistic Methods · Structure Learning

Qing Li, Yixin Zhu, Yitao Liang, Yingnian Wu, Song-Chun Zhu, Siyuan Huang

Current learning models often struggle with human-like systematic generalization, particularly in learning compositional rules from limited data and extrapolating them to novel combinations. We introduce the Neural-Symbolic Recursive Ma- chine ( NSR), whose core is a Grounded Symbol System ( GSS), allowing for the emergence of combinatorial syntax and semantics directly from training data. The NSR employs a modular design that integrates neural perception, syntactic parsing, and semantic reasoning. These components are synergistically trained through a novel deduction-abduction algorithm. Our findings demonstrate that NSR’s design, imbued with the inductive biases of equivariance and compositionality, grants it the expressiveness to adeptly handle diverse sequence-to-sequence tasks and achieve unparalleled systematic generalization. We evaluate NSR’s efficacy across four challenging benchmarks designed to probe systematic generalization capabilities: SCAN for semantic parsing, PCFG for string manipulation, HINT for arithmetic reasoning, and a compositional machine translation task. The results affirm NSR ’s superiority over contemporary neural and hybrid models in terms of generalization and transferability.

Applications · Robotics

Yoonyoung Cho, Junhyek Han, Yoontae Cho, Beomjoon Kim

Nonprehensile manipulation is essential for manipulating objects that are too thin, large, or otherwise ungraspable in the wild. To sidestep the difficulty of contact modeling in conventional modeling-based approaches, reinforcement learning (RL) has recently emerged as a promising alternative. However, previous RL approaches either lack the ability to generalize over diverse object shapes, or use simple action primitives that limit the diversity of robot motions. Furthermore, using RL over diverse object geometry is challenging due to the high cost of training a policy that takes in high-dimensional sensory inputs. We propose a novel contact-based object representation and pretraining pipeline to tackle this. To enable massively parallel training, we leverage a lightweight patch-based transformer architecture for our encoder that processes point clouds, thus scaling our training across thousands of environments. Compared to learning from scratch, or other shape representation baselines, our representation facilitates both time- and data-efficient learning. We validate the efficacy of our overall system by zero-shot transferring the trained policy to novel real-world objects. We highly recommend the video attached in the supplementary material. Code and videos are available at \url{https://sites.google.com/view/contact-non-prehensile}.

Deep Learning · Large Language Models

Jack Merullo, Carsten Eickhoff, Ellie Pavlick

Recent work in mechanistic interpretability has shown that behaviors in language models can be successfully reverse-engineered through circuit analysis. A common criticism, however, is that each circuit is task-specific, and thus such analysis cannot contribute to understanding the models at a higher level. In this work, we present evidence that insights (both low-level findings about specific heads and higher-level findings about general algorithms) can indeed generalize across tasks. Specifically, we study the circuit discovered in (Wang, 2022) for the Indirect Object Identification (IOI) task and 1.) show that it reproduces on a larger GPT2 model, and 2.) that it is mostly reused to solve a seemingly different task: Colored Objects (Ippolito & Callison-Burch, 2023). We provide evidence that the process underlying both tasks is functionally very similar, and contains about a 78% overlap in in-circuit attention heads. We further present a proof-of-concept intervention experiment, in which we adjust four attention heads in middle layers in order to ‘repair’ the Colored Objects circuit and make it behave like the IOI circuit. In doing so, we boost accuracy from 49.6% to 93.7% on the Colored Objects task and explain most sources of error. The intervention affects downstream attention heads in specific ways predicted by their interactions in the IOI circuit, indicating that this subcircuit behavior is invariant to the different task inputs. Overall, our results provide evidence that it may yet be possible to explain large language models' behavior in terms of a relatively small number of interpretable task-general algorithmic building blocks and computational components.

Optimization

Xun Tang, Michael Shavlovsky, Holakou Rahmanian, Elisa Tardini, Kiran Thekumparampil, Tesi Xiao, Lexing Ying

Computing the optimal transport distance between statistical distributions is a fundamental task in machine learning. One remarkable recent advancement is entropic regularization and the Sinkhorn algorithm, which utilizes only matrix scaling and guarantees an approximated solution with near-linear runtime. Despite the success of the Sinkhorn algorithm, its runtime may still be slow due to the potentially large number of iterations needed for convergence. To achieve possibly super-exponential convergence, we introduce Sinkhorn-Newton-Sparse (SNS), an extension to the Sinkhorn algorithm, by introducing early stopping for the matrix scaling steps and a second stage featuring a Newton-type subroutine. Adopting the variational viewpoint that the Sinkhorn algorithm maximizes a concave Lyapunov potential, we offer the insight that the Hessian matrix of the potential function is approximately sparse. Sparsification of the Hessian results in a fast $O(n^2)$ per-iteration complexity, the same as the Sinkhorn algorithm. In terms of total iteration count, we observe that the SNS algorithm converges orders of magnitude faster across a wide range of practical cases, including optimal transportation between empirical distributions and calculating the Wasserstein $W_1, W_2$ distance of discretized continuous densities. The empirical performance is corroborated by a rigorous bound on the approximate sparsity of the Hessian matrix.

Social Aspects · Accountability, Transparency and Interpretability

Weida Li, Yaoliang Yu

The family of probabilistic values, axiomatically-grounded in cooperative game theory, has recently received much attention in data valuation. However, it is often computationally expensive to compute exactly (exponential w.r.t. the number of data to valuate denoted by $n$). The existing generic estimator costs $O(n^2\log n)$ utility evaluations to achieve an $(\epsilon,\delta)$-approximation under the 2-norm, while faster estimators have been developed recently for special cases (e.g., empirically for the Shapley value and theoretically for the Banzhaf value). In this work, starting from the discovered connection between probabilistic values and least square regressions, we propose a Generic Estimator based on Least Squares (GELS) along with its variants that cost $O(n\log n)$ utility evaluations for many probabilistic values, largely extending the scope of this currently best complexity bound. Moreover, we show that each distributional value, proposed by Ghorbani et al. (2020) to alleviate the inconsistency of probabilistic values induced by using distinct databases, can also be cast as optimizing a similar least square regression. This observation leads to a theoretically-grounded framework TrELS (Training Estimators based on Least Squares) that can train estimators towards the specified distributional values without requiring any supervised signals. Particularly, the trained estimators are capable of predicting the corresponding distributional values for unseen data, largely saving the budgets required for running Monte-Carlo methods otherwise. Our experiments verify the faster convergence of GELS, and demonstrate the effectiveness of TrELS in learning distributional values. Our code is available at https://github.com/watml/fastpvalue.

Applications · Computer Vision

Hanyu Zhou, Yi Chang, Haoyue Liu, YAN WENDING, Yuxing Duan, Zhiwei Shi, Luxin Yan

We investigate a challenging task of nighttime optical flow, which suffers from weakened texture and amplified noise. These degradations weaken discriminative visual features, thus causing invalid motion feature matching. Typically, existing methods employ domain adaptation to transfer knowledge from auxiliary domain to nighttime domain in either input visual space or output motion space. However, this direct adaptation is ineffective, since there exists a large domain gap due to the intrinsic heterogeneous nature of the feature representations between auxiliary and nighttime domains. To overcome this issue, we explore a common-latent space as the intermediate bridge to reinforce the feature alignment between auxiliary and nighttime domains. In this work, we exploit two auxiliary daytime and event domains, and propose a novel common appearance-boundary adaptation framework for nighttime optical flow. In appearance adaptation, we employ the intrinsic image decomposition to embed the auxiliary daytime image and the nighttime image into a reflectance-aligned common space. We discover that motion distributions of the two reflectance maps are very similar, benefiting us to consistently transfer motion appearance knowledge from daytime to nighttime domain. In boundary adaptation, we theoretically derive the motion correlation formula between nighttime image and accumulated events within a spatiotemporal gradient-aligned common space. We figure out that the correlation of the two spatiotemporal gradient maps shares significant discrepancy, benefitting us to contrastively transfer boundary knowledge from event to nighttime domain. Moreover, appearance adaptation and boundary adaptation are complementary to each other, since they could jointly transfer global motion and local boundary knowledge to the nighttime domain. Extensive experiments have been performed to verify the superiority of the proposed method.

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 · Graph Neural Networks

Marco Pacini, Xiaowen Dong, Bruno Lepri, Gabriele Santin

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possibile combinations of representations, choice of coordinates and point-wise activations to obtain an equivariant layer, generalizing and strengthening existing characterizations.Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Theory · Domain Adaptation and Transfer Learning

Jonghyun Lee, Dahuin Jung, Saehyung Lee, Junsung Park, Juhyeon Shin, Uiwon Hwang, Sungroh Yoon

Test-time adaptation (TTA) fine-tunes pre-trained deep neural networks for unseen test data. The primary challenge of TTA is limited access to the entire test dataset during online updates, causing error accumulation. To mitigate it, TTA methods have utilized the model output's entropy as a confidence metric that aims to determine which samples have a lower likelihood of causing error. Through experimental studies, however, we observed the unreliability of entropy as a confidence metric for TTA under biased scenarios and theoretically revealed that it stems from the neglect of the influence of latent disentangled factors of data on predictions. Building upon these findings, we introduce a novel TTA method named Destroy Your Object (DeYO), which leverages a newly proposed confidence metric named Pseudo-Label Probability Difference (PLPD). PLPD quantifies the influence of the shape of an object on prediction by measuring the difference between predictions before and after applying an object-destructive transformation. DeYO consists of sample selection and sample weighting, which employ entropy and PLPD concurrently. For robust adaptation, DeYO prioritizes samples that dominantly incorporate shape information when making predictions. Our extensive experiments demonstrate the consistent superiority of DeYO over baseline methods across various scenarios, including biased and wild. Project page is publicly available at https://whitesnowdrop.github.io/DeYO/.

Applications · Computer Vision

Zhongpai Gao, Huayi Zhou, Abhishek Sharma, Meng Zheng, Benjamin Planche, Terrence Chen, Ziyan Wu

The detection of human parts (e.g., hands, face) and their correct association with individuals is an essential task, e.g., for ubiquitous human-machine interfaces and action recognition. Traditional methods often employ multi-stage processes, rely on cumbersome anchor-based systems, or do not scale well to larger part sets. This paper presents PBADet, a novel one-stage, anchor-free approach for part-body association detection. Building upon the anchor-free object representation across multi-scale feature maps, we introduce a singular part-to-body center offset that effectively encapsulates the relationship between parts and their parent bodies. Our design is inherently versatile and capable of managing multiple parts-to-body associations without compromising on detection accuracy or robustness. Comprehensive experiments on various datasets underscore the efficacy of our approach, which not only outperforms existing state-of-the-art techniques but also offers a more streamlined and efficient solution to the part-body association challenge.

Uiwon Hwang, Jonghyun Lee, Juhyeon Shin, Sungroh Yoon

In the face of the deep learning model's vulnerability to domain shift, source-free domain adaptation (SFDA) methods have been proposed to adapt models to new, unseen target domains without requiring access to source domain data. Although the potential benefits of applying data augmentation to SFDA are attractive, several challenges arise such as the dependence on prior knowledge of class-preserving transformations and the increase in memory and computational requirements. In this paper, we propose Source-free Domain Adaptation Through the Lens of Data Augmentation (SF(DA)$^2$), a novel approach that leverages the benefits of data augmentation without suffering from these challenges. We construct an augmentation graph in the feature space of the pretrained model using the neighbor relationships between target features and propose spectral neighborhood clustering to identify partitions in the prediction space. Furthermore, we propose implicit feature augmentation and feature disentanglement as regularization loss functions that effectively utilize class semantic information within the feature space. These regularizers simulate the inclusion of an unlimited number of augmented target features into the augmentation graph while minimizing computational and memory demands. Our method shows superior adaptation performance in SFDA scenarios, including 2D image and 3D point cloud datasets and a highly imbalanced dataset.

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.

Deep Learning · Large Language Models

William Rudman, Carsten Eickhoff

Given the success of Large Language Models (LLMs), there has been considerable interest in studying the properties of model activations. The literature overwhelmingly agrees that LLM representations are dominated by a few ``outlier dimensions'' with exceedingly high variance and magnitude. Several studies in Natural Language Processing (NLP) have sought to mitigate the impact of such outlier dimensions and force LLMs to be isotropic (i.e., have uniform variance across all dimensions in embedding space). Isotropy is thought to be a desirable property for LLMs that improves model performance and more closely aligns textual representations with human intuition. However, many claims regarding isotropy in NLP have been based on the average cosine similarity of embeddings, which has recently been shown to be a flawed measure of isotropy. In this paper, we propose I-STAR: IsoScore$^{\star}$-based STable Anisotropic Regularization, a novel regularization method that can be used to increase or decrease levels of isotropy in embedding space during training. I-STAR uses IsoScore$^{\star}$, the first accurate measure of isotropy that is both differentiable and stable on mini-batch computations. In contrast to several previous works, we find that \textit{decreasing} isotropy in contextualized embeddings improves performance on the majority of tasks and models considered in this paper.