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Applications · Robotics

Guillaume Bono, Leonid Antsfeld, Assem Sadek, Gianluca Monaci, Christian Wolf

Agents navigating in 3D environments require some form of memory, which should hold a compact and actionable representation of the history of observations useful for decision taking and planning. In most end-to-end learning approaches the representation is latent and usually does not have a clearly defined interpretation, whereas classical robotics addresses this with scene reconstruction resulting in some form of map, usually estimated with geometry and sensor models and/or learning. In this work we propose to learn an actionable representation of the scene independently of the targeted downstream task and without explicitly optimizing reconstruction. The learned representation is optimized by a blind auxiliary agent trained to navigate with it on multiple short sub episodes branching out from a waypoint and, most importantly, without any direct visual observation. We argue and show that the blindness property is important and forces the (trained) latent representation to be the only means for planning. With probing experiments we show that the learned representation optimizes navigability and not reconstruction. On downstream tasks we show that it is robust to changes in distribution, in particular the sim2real gap, which we evaluate with a real physical robot in a real office building, significantly improving performance.

Caixia Yan, Xiaojun Chang, Zhihui Li, Lina Yao, Minnan Luo, Qinghua Zheng

Transformer architecture search (TAS) has achieved remarkable progress in automating the neural architecture design process of vision transformers. Recent TAS advancements have discovered outstanding transformer architectures while saving tremendous labor from human experts. However, it is still cumbersome to deploy these methods in real-world applications due to the expensive costs of data labeling under the supervised learning paradigm. To this end, this paper proposes a masked image modelling (MIM) based self-supervised neural architecture search method specifically designed for vision transformers, termed as MaskTAS, which completely avoids the expensive costs of data labeling inherited from supervised learning. Based on the one-shot NAS framework, MaskTAS requires to train various weight-sharing subnets, which can easily diverged without strong supervision in MIM-based self-supervised learning. For this issue, we design the search space of MaskTAS as a siamesed teacher-student architecture to distill knowledge from pre-trained networks, allowing for efficient training of the transformer supernet. To achieve self-supervised transformer architecture search, we further design a novel unsupervised evaluation metric for the evolutionary search algorithm, where each candidate of the student branch is rated by measuring its consistency with the larger teacher network. Extensive experiments demonstrate that the searched architectures can achieve state-of-the-art accuracy on CIFAR-10, CIFAR-100, and ImageNet datasets even without using manual labels. Moreover, the proposed MaskTAS can generalize well to various data domains and tasks by searching specialized transformer architectures in self-supervised manner.

Deep Learning · Algorithms

Zican Hu, Zongzhang Zhang, Huaxiong Li, Chunlin Chen, Hongyu Ding, Zhi Wang

Real-world multi-agent tasks usually involve dynamic team composition with the emergence of roles, which should also be a key to efficient cooperation in multi-agent reinforcement learning (MARL). Drawing inspiration from the correlation between roles and agent's behavior patterns, we propose a novel framework of **A**ttention-guided **CO**ntrastive **R**ole representation learning for **M**ARL (**ACORM**) to promote behavior heterogeneity, knowledge transfer, and skillful coordination across agents. First, we introduce mutual information maximization to formalize role representation learning, derive a contrastive learning objective, and concisely approximate the distribution of negative pairs. Second, we leverage an attention mechanism to prompt the global state to attend to learned role representations in value decomposition, implicitly guiding agent coordination in a skillful role space to yield more expressive credit assignment. Experiments on challenging StarCraft II micromanagement and Google research football tasks demonstrate the state-of-the-art performance of our method and its advantages over existing approaches. Our code is available at [https://github.com/NJU-RL/ACORM](https://github.com/NJU-RL/ACORM).

Lijia Zhou, James Simon, Gal Vardi, Nathan Srebro

We study the cost of overfitting in noisy kernel ridge regression (KRR), which we define as the ratio between the test error of the interpolating ridgeless model and the test error of the optimally-tuned model. We take an ``agnostic'' view in the following sense: we consider the cost as a function of sample size for any target function, even if the sample size is not large enough for consistency or the target is outside the RKHS. We analyze the cost of overfitting under a Gaussian universality ansatz using recently derived (non-rigorous) risk estimates in terms of the task eigenstructure. Our analysis provides a more refined characterization of benign, tempered and catastrophic overfitting (cf. Mallinar et al. 2022).

James Simon, Dhruva Karkada, Nikhil Ghosh, Misha Belkin

In our era of enormous neural networks, empirical progress has been driven by the philosophy that *more is better.*Recent deep learning practice has found repeatedly that larger model size, more data, and more computation (resulting in lower training loss) optimizing to near-interpolation improves performance. In this paper, we give theoretical backing to these empirical observations by showing that these three properties hold in random feature (RF) regression, a class of models equivalent to shallow networks with only the last layer trained.Concretely, we first show that the test risk of RF regression decreases monotonically with both the number of features and samples, provided the ridge penalty is tuned optimally. In particular, this implies that infinite width RF architectures are preferable to those of any finite width. We then proceed to demonstrate that, for a large class of tasks characterized by powerlaw eigenstructure, training to near-zero training loss is *obligatory:* near-optimal performance can *only* be achieved when the training error is much smaller than the test error. Grounding our theory in real-world data, we find empirically that standard computer vision tasks with convolutional neural kernels clearly fall into this class. Taken together, our results tell a simple, testable story of the benefits of overparameterization and overfitting in random feature models.

Social Aspects · Trustworthy Machine Learning

Hsiang Hsu, Guihong Li, Shaohan Hu, Chun-Fu Chen

Predictive multiplicity refers to the phenomenon in which classification tasks may admit multiple competing models that achieve almost-equally-optimal performance, yet generate conflicting outputs for individual samples.This presents significant concerns, as it can potentially result in systemic exclusion, inexplicable discrimination, and unfairness in practical applications.Measuring and mitigating predictive multiplicity, however, is computationally challenging due to the need to explore all such almost-equally-optimal models, known as the Rashomon set, in potentially huge hypothesis spaces. To address this challenge, we propose a novel framework that utilizes dropout techniques for exploring models in the Rashomon set.We provide rigorous theoretical derivations to connect the dropout parameters to properties of the Rashomon set, and empirically evaluate our framework through extensive experimentation.Numerical results show that our technique consistently outperforms baselines in terms of the effectiveness of predictive multiplicity metric estimation, with runtime speedup up to $20\times \sim 5000\times$.With efficient Rashomon set exploration and metric estimation, mitigation of predictive multiplicity is then achieved through dropout ensemble and model selection.

Social Aspects · Accountability, Transparency and Interpretability

Aditya Chattopadhyay, Kwan Ho Ryan Chan, Rene Vidal

Variational Information Pursuit (V-IP) is an interpretable-by-design framework that makes predictions by sequentially selecting a short chain of user-defined, interpretable queries about the data that are most informative for the task. The prediction is based solely on the obtained query answers, which also serve as a faithful explanation for the prediction. Applying the framework to any task requires (i) specification of a query set, and (ii) densely annotated data with query answers to train classifiers to answer queries at test time. This limits V-IP's application to small-scale tasks where manual data annotation is feasible. In this work, we focus on image classification tasks and propose to relieve this bottleneck by leveraging pretrained language and vision models. Specifically, following recent work, we propose to use GPT, a Large Language Model, to propose semantic concepts as queries for a given classification task. To answer these queries, we propose a light-weight Concept Question-Answering network (Concept-QA) which learns to answer binary queries about semantic concepts in images. We design pseudo-labels to train our Concept-QA model using GPT and CLIP (a Vision-Language Model). Empirically, we find our Concept-QA model to be competitive with state-of-the-art VQA models in terms of answering accuracy but with an order of magnitude fewer parameters. This allows for seamless integration of Concept-QA into the V-IP framework as a fast-answering mechanism. We name this method Concept-QA+V-IP. Finally, we show on several datasets that Concept-QA+V-IP produces shorter, interpretable query chains which are more accurate than V-IP trained with CLIP-based answering systems. Code available at https://github.com/adityac94/conceptqa_vip.

Theory · Deep Learning

Hancheng Min, Enrique Mallada, Rene Vidal

This paper studies the problem of training a two-layer ReLU network for binary classification using gradient flow with small initialization. We consider a training dataset with well-separated input vectors: Any pair of input data with the same label are positively correlated, and any pair with different labels are negatively correlated. Our analysis shows that, during the early phase of training, neurons in the first layer try to align with either the positive data or the negative data, depending on its corresponding weight on the second layer. A careful analysis of the neurons' directional dynamics allows us to provide an $\mathcal{O}(\frac{\log n}{\sqrt{\mu}})$ upper bound on the time it takes for all neurons to achieve good alignment with the input data, where $n$ is the number of data points and $\mu$ measures how well the data are separated. After the early alignment phase, the loss converges to zero at a $\mathcal{O}(\frac{1}{t})$ rate, and the weight matrix on the first layer is approximately low-rank. Numerical experiments on the MNIST dataset illustrate our theoretical findings.

Probabilistic Methods · Bayesian Models and Methods

Mengyuan Chen, Junyu Gao, Changsheng Xu

A newly-arising uncertainty estimation method named Evidential Deep Learning (EDL), which can obtain reliable predictive uncertainty in a single forward pass, has garnered increasing interest. Guided by the subjective logic theory, EDL obtains Dirichlet concentration parameters from deep neural networks, thus constructing a Dirichlet probability density function (PDF) to model the distribution of class probabilities. Despite its great success, we argue that EDL keeps nonessential settings in both stages of model construction and optimization.In this work, our analysis indicates that (1) in the construction of the Dirichlet PDF, a commonly ignored parameter termed prior weight governs the balance between leveraging the proportion of evidence and its magnitude in deriving predictive scores, and (2) in model optimization, a variance-minimized regularization term adopted by traditional EDL encourages the Dirichlet PDF to approach a Dirac delta function, potentially exacerbating overconfidence. Therefore, we propose the R-EDL (Relaxed-EDL) method by relaxing these nonessential settings. Specifically, R-EDL treats the prior weight as an adjustable hyper-parameter instead of a fixed scalar, and directly optimizes the expectation of the Dirichlet PDF provided to deprecate the variance-minimized regularization term. Extensive experiments and SOTA performances demonstrate the effectiveness of our method. Source codes are provided in Appendix E.

Zhiwei Deng, Ting Chen, Yang Li

Human visual recognition system shows astonishing capability of compressing visual information into a set of tokens containing rich representations without label supervision. One critical driving principle behind it is perceptual grouping. Despite being widely used in computer vision in the early 2010s, it remains a mystery whether perceptual grouping can be leveraged to derive a neural visual recognition backbone that generates as powerful representations. In this paper, we propose the Perceptual Group Tokenizer, a model that entirely relies on grouping operations to extract visual features and perform self-supervised representation learning, where a series of grouping operations are used to iteratively hypothesize the context for pixels or superpixels to refine feature representations. We show that the proposed model can achieve competitive performance compared to state-of-the-art vision architectures, and inherits desirable properties including adaptive computation without re-training, and interpretability. Specifically, Perceptual Group Tokenizer achieves 79.7% on ImageNet-1K self-supervised learning benchmark with linear probe evaluation, marking a new progress under this paradigm.

Deep Learning · Graph Neural Networks

Matthew Morris, Bernardo Grau, Ian Horrocks

Equivariance is an important structural property that is captured by architectures such as graph neural networks (GNNs). However, equivariant graph functions cannot produce different outputs for similar nodes, which may be undesirable when the function is trying to optimize some global graph property. In this paper, we define orbit-equivariance, a relaxation of equivariance which allows for such functions whilst retaining important structural inductive biases. We situate the property in the hierarchy of graph functions, define a taxonomy of orbit-equivariant functions, and provide four different ways to achieve non-equivariant GNNs. For each, we analyze their expressivity with respect to orbit-equivariance and evaluate them on two novel datasets, one of which stems from a real-world use-case of designing optimal bioisosteres.

Social Aspects · Trustworthy Machine Learning

Chongyu Fan, Jiancheng Liu, Yihua Zhang, Eric Wong, Dennis Wei, Sijia Liu

With evolving data regulations, machine unlearning (MU) has become an important tool for fostering trust and safety in today's AI models. However, existing MU methods focusing on data and/or weight perspectives often suffer limitations in unlearning accuracy, stability, and cross-domain applicability. To address these challenges, we introduce the concept of 'weight saliency' for MU, drawing parallels with input saliency in model explanation. This innovation directs MU's attention toward specific model weights rather than the entire model, improving effectiveness and efficiency. The resultant method that we call saliency unlearning (SalUn) narrows the performance gap with 'exact' unlearning (model retraining from scratch after removing the forgetting data points). To the best of our knowledge, SalUn is the first principled MU approach that can effectively erase the influence of forgetting data, classes, or concepts in both image classification and generation tasks. As highlighted below, For example, SalUn yields a stability advantage in high-variance random data forgetting, e.g., with a 0.2% gap compared to exact unlearning on the CIFAR-10 dataset. Moreover, in preventing conditional diffusion models from generating harmful images, SalUn achieves nearly 100% unlearning accuracy, outperforming current state-of-the-art baselines like Erased Stable Diffusion and Forget-Me-Not. Codes are available at https://github.com/OPTML-Group/Unlearn-Saliency.**WARNING**: This paper contains model outputs that may be offensive in nature.

Social Aspects · Trustworthy Machine Learning

Pol Labarbarie, Adrien CHAN-HON-TONG, Stéphane Herbin, Milad Leyli-abadi

Adversarial patch attacks, where a small patch is placed in the scene to fool neural networks, have been studied for numerous applications. Focusing on image classification, we consider the setting of a black-box transfer attack where an attacker does not know the target model. Instead of forcing corrupted image representations to cross the nearest decision boundaries or converge to a particular point, we propose a distribution-oriented approach. We rely on optimal transport to push the feature distribution of attacked images towards an already modeled distribution. We show that this new distribution-oriented approach leads to better transferable patches. Through digital experiments conducted on ImageNet-1K, we provide evidence that our new patches are the only ones that can simultaneously influence multiple Transformer models and Convolutional Neural Networks. Physical world experiments demonstrate that our patch can affect systems in deployment without explicit knowledge.

Deep Learning · Graph Neural Networks

Yunchong Song, Siyuan Huang, Xinbing Wang, Chenghu Zhou, Zhouhan Lin

Graph pooling compresses graph information into a compact representation. State-of-the-art graph pooling methods follow a hierarchical approach, which reduces the graph size step-by-step. These methods must balance memory efficiency with preserving node information, depending on whether they use node dropping or node clustering. Additionally, fixed pooling ratios or numbers of pooling layers are predefined for all graphs, which prevents personalized pooling structures from being captured for each individual graph. In this work, inspired by bottom-up grammar induction, we propose an efficient graph parsing algorithm to infer the pooling structure, which then drives graph pooling. The resulting Graph Parsing Network (GPN) adaptively learns personalized pooling structure for each individual graph. GPN benefits from the discrete assignments generated by the graph parsing algorithm, allowing good memory efficiency while preserving node information intact. Experimental results on standard benchmarks demonstrate that GPN outperforms state-of-the-art graph pooling methods in graph classification tasks while being able to achieve competitive performance in node classification tasks. We also conduct a graph reconstruction task to show GPN's ability to preserve node information and measure both memory and time efficiency through relevant tests.

Keller Jordan

Neural network trainings are stochastic, causing the performance of trained networks to vary across repeated runs of training.We contribute the following results towards understanding this variation.(1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have little variance in their performance on the test-distributions from which their test-sets are sampled.(2) We introduce the independent errors assumption and show that it suffices to recover the structure and variance of the empirical accuracy distribution across repeated runs of training.(3) We prove that test-set variance is unavoidable given the observation that ensembles of identically trained networks are calibrated (Jiang et al., 2021), and demonstrate that the variance of binary classification trainings closely follows a simple formula based on the error rate and number of test examples.(4) We conduct preliminary studies of data augmentation, learning rate, finetuning instability and distribution-shift through the lens of variance between runs.

Optimization · Large Scale, Parallel and Distributed

Tomoya Murata, Kenta Niwa, Takumi Fukami, Iifan Tyou

In this study, we consider nonconvex federated learning problems with the existence of Byzantine workers. We propose a new simple Byzantine robust algorithm called Momentum Screening. The algorithm is adaptive to the Byzantine fraction, i.e., all its hyperparameters do not depend on the number of Byzantine workers. We show that our method achieves the best optimization error of $O(\delta^2\zeta_\mathrm{max}^2)$ for nonconvex smooth local objectives satisfying $\zeta_\mathrm{max}$-uniform gradient heterogeneity condition under $\delta$-Byzantine fraction, which can be better than the best known error rate of $O(\delta\zeta_\mathrm{mean}^2)$ for local objectives satisfying $\zeta_\mathrm{mean}$-mean heterogeneity condition when $\delta \leq (\zeta_\mathrm{max}/\zeta_\mathrm{mean})^2$. Furthermore, we derive an algorithm independent lower bound for local objectives satisfying $\zeta_\mathrm{max}$-uniform gradient heterogeneity condition and show the minimax optimality of our proposed method on this class. In numerical experiments, we validate the superiority of our method over the existing robust aggregation algorithms and verify our theoretical results.

Deep Learning · Theory

Zihan Wang, Arthur Jacot

The $L_{2}$-regularized loss of Deep Linear Networks (DLNs) withmore than one hidden layers has multiple local minima, correspondingto matrices with different ranks. In tasks such as matrix completion,the goal is to converge to the local minimum with the smallest rankthat still fits the training data. While rank-underestimating minimacan be avoided since they do not fit the data, GD might getstuck at rank-overestimating minima. We show that with SGD, there is always a probability to jumpfrom a higher rank minimum to a lower rank one, but the probabilityof jumping back is zero. More precisely, we define a sequence of sets$B_{1}\subset B_{2}\subset\cdots\subset B_{R}$ so that $B_{r}$contains all minima of rank $r$ or less (and not more) that are absorbingfor small enough ridge parameters $\lambda$ and learning rates $\eta$:SGD has prob. 0 of leaving $B_{r}$, and from any starting point thereis a non-zero prob. for SGD to go in $B_{r}$.

Deep Learning · Large Language Models

Naman Jain, Tianjun Zhang, Wei-Lin Chiang, Joseph E Gonzalez, Koushik Sen, Ion Stoica

Natural language to code generation is an important application area of LLMs and has received wide attention from the community. The majority of relevant studies have exclusively concentrated on increasing the quantity and functional correctness of training sets while disregarding other stylistic elements of programs. More recently, data quality has garnered a lot of interest and multiple works have showcased its importance for improving performance. In this work, we investigate data quality for code and find that making the code more structured and readable leads to improved code generation performance of the system. We build a novel data-cleaning pipeline that uses these principles to transform existing programs by 1.) renaming variables, 2.) modularizing and decomposing complex code into smaller helper sub-functions, and 3.) inserting natural-language based planning annotations. We evaluate our approach on two challenging algorithmic code generation benchmarks and find that fine-tuning CodeLLaMa-7B on our transformed programs improves the performance by up to \textbf{30\%} compared to fine-tuning on the original dataset. Additionally, we demonstrate improved performance from using a smaller amount of higher-quality data, finding that a model fine-tuned on the entire original dataset is outperformed by a model trained on one-eighth of our cleaned dataset. Even in comparison to closed-source models, our models outperform the much larger AlphaCode models.

Deep Learning · Self-Supervised Learning

Xi Weng, Yunhao Ni, Tengwei Song, Jie Luo, Rao Anwer, Salman Khan, Fahad Khan, Lei Huang

Whitening loss offers a theoretical guarantee against feature collapse in self-supervised learning (SSL) with joint embedding architectures. Typically, it involves a hard whitening approach, transforming the embedding and applying loss to the whitened output. In this work, we introduce Spectral Transformation (ST), a framework to modulate the spectrum of embedding and to seek for functions beyond whitening that can avoid dimensional collapse. We show that whitening is a special instance of ST by definition, and our empirical investigations unveil other ST instances capable of preventing collapse. Additionally, we propose a novel ST instance named IterNorm with trace loss (INTL). Theoretical analysis confirms INTL's efficacy in preventing collapse and modulating the spectrum of embedding toward equal-eigenvalues during optimization. Our experiments on ImageNet classification and COCO object detection demonstrate INTL's potential in learning superior representations. The code is available at https://github.com/winci-ai/INTL.

Deep Learning · Other Representation Learning

Jungin Park, Jiyoung Lee, Kwanghoon Sohn

This paper introduces VLAP, a novel approach that bridges pretrained vision models and large language models (LLMs) to make frozen LLMs understand the visual world. VLAP transforms the embedding space of pretrained vision models into the LLMs' word embedding space using a single linear layer for efficient and general-purpose visual and language understanding. Specifically, we harness well-established word embeddings to bridge two modality embedding spaces. The visual and text representations are simultaneously assigned to a set of word embeddings within pretrained LLMs by formulating the assigning procedure as an optimal transport problem. We predict the assignment of one modality from the representation of another modality data, enforcing consistent assignments for paired multimodal data. This allows vision and language representations to contain the same information, grounding the frozen LLMs' word embedding space in visual data. Moreover, a robust semantic taxonomy of LLMs can be preserved with visual data since the LLMs interpret and reason linguistic information from correlations between word embeddings. Experimental results show that VLAP achieves substantial improvements over the previous linear transformation-based approaches across a range of vision-language tasks, including image captioning, visual question answering, and cross-modal retrieval. We also demonstrate the learned visual representations hold a semantic taxonomy of LLMs, making visual semantic arithmetic possible.