Scope of ReproducibilityThis work aims to reproduce the findings of the paper “CrossWalk: Fairness-enhanced Node Representation Learning” by investigating the two main claims made by the authors about CrossWalk, which suggest that (i) CrossWalk enhances fairness in three graph algorithms, while only suffering from small decreases in performance, and that (ii) CrossWalk preserves the necessary structural properties of the graph while reducing disparity.MethodologyThe authors made the CrossWalk repository available, which contained most of the datasets used for their experimentation, and the scripts needed to run the experiments. However, the codebase lacked documentation and was missing logic for running all experiments and visualizing the results. We, therefore, re-implement their code from scratch and deploy it as a python package which can be run to obtain all the showcased results. ResultsOur work suggests that the first claim of the paper, which states that Crosswalk minimizes disparity and thus enhances fairness is partially reproducible, and only for the tasks of Node classification and Influence maximization as the parameters specified in the paper do not always yield similar results. Then, the second claim of the paper which states that Crosswalk attains the necessary structural properties of the graph is fully reproducible through our experiments.What was easyThe original paper contained the necessary information about hyperparameters, which coupled with the publicly available repository made it straightforward to refactor the code and understand the idea of the proposed method. What was difficultThe difficulty stems from the lack of structure and documentation in the provided code which made the original experiments hard to reproduce. Furthermore, there were missing files in the provided datasets. Also, some experiments were not reproducible at all through the provided code. One more important aspect is that the experiments are CPU intensive which made the reproducibility even harder.Communication with original authorsAlbeit rather late, the authors provided meaningful feedback on our questions about implementation details and initial results.
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Applications/Computer Vision
While language-guided image manipulation has made remarkable progress, the challenge of how to instruct the manipulation process faithfully reflecting human intentions persists. An accurate and comprehensive description of a manipulation task using natural language is laborious and sometimes even impossible, primarily due to the inherent uncertainty and ambiguity present in linguistic expressions. Is it feasible to accomplish image manipulation without resorting to external cross-modal language information? If this possibility exists, the inherent modality gap would be effortlessly eliminated. In this paper, we propose a novel manipulation methodology, dubbed ImageBrush, that learns visual instructions for more accurate image editing.Our key idea is to employ a pair of transformation images as visual instructions, which not only precisely captures human intention but also facilitates accessibility in real-world scenarios. Capturing visual instructions is particularly challenging because it involves extracting the underlying intentions solely from visual demonstrations and then applying this operation to a new image. To address this challenge, we formulate visual instruction learning as a diffusion-based inpainting problem, where the contextual information is fully exploited through an iterative process of generation. A visual prompting encoder is carefully devised to enhance the model's capacity in uncovering human intent behind the visual instructions. Extensive experiments show that our method generates engaging manipulation results conforming to the transformations entailed in demonstrations. Moreover, our model exhibits robust generalization capabilities on various downstream tasks such as pose transfer, image translation and video inpainting.
Data-centric AI/Data augmentation
Scope of Reproducibility — We examine the main claims of the original paper [1], whichstates that in an image classification task with imbalanced training data, (i) using purenoise to augment minority‐class images encourages generalization by improving minority‐class accuracy. This method is paired with (ii) a new batch normalization layer thatnormalizes noise images using affine parameters learned from natural images, whichimproves the model’s performance. Moreover, (iii) this improvement is robust to vary‐ing levels of data augmentation. Finally, the authors propose that (iv) adding pure noiseimages can improve classification even on balanced training data.Methodology — We implemented the training pipeline from the description of the paperusing PyTorch and integrated authors’ code snippets for sampling pure noise imagesand batch normalizing noise and natural images separately. All of our experiments wererun on a machine from a cloud computing service with one NVIDIA RTX A5000 GraphicsCard and had a total computational time of approximately 432 GPU hours.Results — We reproduced the main claims that (i) oversampling with pure noise improvesgeneralization by improving the minority‐class accuracy, (ii) the proposed batch nor‐malization (BN) method outperforms baselines, (iii) and this improvement is robustacross data augmentations. Our results also support that (iv) adding pure noise imagescan improve classification on balanced training data. However, additional experimentssuggest that the performance improvement from OPeN may be more orthogonal to theimprovement caused by a bigger network or more complex data augmentation.What was easy — The code snippet in the original paper was thoroughly documented andwas easy to use. The authors also clearly documented most of the hyperparameters thatwere used in the main experiments.What was difficult — The repo linked in the original paper was not populated yet. As a re‐sult, we had to retrieve the CIFAR‐10‐LT dataset from previous works [2, 3], re‐implementWideResNet [4], and the overall training pipeline.Communication with original authors — We contacted the authors for clarifications on theimplementation details of the algorithm. Prior works had many important implemen‐tation details such as linear learning rate warmup or deferred oversampling, so we con‐firmed with the authors on whether these methods were used.
Reinforcement Learning/Batch Offline
Constructing AI models that respond to text instructions is challenging, especially for sequential decision-making tasks. This work introduces a methodology, inspired by unCLIP, for instruction-tuning generative models of behavior without relying on a large dataset of instruction-labeled trajectories. Using this methodology, we create an instruction-tuned Video Pretraining (VPT) model called STEVE-1, which can follow short-horizon open-ended text and visual instructions in Minecraft. STEVE-1 is trained in two steps: adapting the pretrained VPT model to follow commands in MineCLIP's latent space, then training a prior to predict latent codes from text. This allows us to finetune VPT through self-supervised behavioral cloning and hindsight relabeling, reducing the need for costly human text annotations, and all for only $60 of compute. By leveraging pretrained models like VPT and MineCLIP and employing best practices from text-conditioned image generation, STEVE-1 sets a new bar for open-ended instruction following in Minecraft with low-level controls (mouse and keyboard) and raw pixel inputs, far outperforming previous baselines and robustly completing 12 of 13 tasks in our early-game evaluation suite. We provide experimental evidence highlighting key factors for downstream performance, including pretraining, classifier-free guidance, and data scaling. All resources, including our model weights, training scripts, and evaluation tools are made available for further research.
Theory/Learning Theory
We study the fundamental problems of Gaussian mean estimation and linear regression with Gaussian covariates in the presence of Huber contamination. Our main contribution is the design of the first sample near-optimal and almost linear-time algorithms with optimal error guarantees for both these problems. Specifically, for Gaussian robust mean estimation on $\mathbb R^d$ with contamination parameter $\epsilon \in (0, \epsilon_0)$ for a small absolute constant $\epsilon_0$, we give an algorithm with sample complexity $n = \tilde{O}(d/\epsilon^2)$ and almost linear runtime that approximates the target mean within $\ell_2$-error $O(\epsilon)$. This improves on prior work that achieved this error guarantee with polynomially suboptimal sample and time complexity. For robust linear regression, we give the first algorithm with sample complexity $n = \tilde{O}(d/\epsilon^2)$ and almost linear runtime that approximates the target regressor within $\ell_2$-error $O(\epsilon)$. This is the first polynomial sample and time algorithm achieving the optimal error guarantee, answering an open question in the literature. At the technical level, we develop a methodology that yields almost-linear time algorithms for multi-directional filtering that may be of broader interest.
Deep Learning/Sequential Models, Time series
Continual learning (CL) aims to incrementally learn multiple tasks that are presented sequentially. The significance of CL lies not only in the practical importance but also in studying the learning mechanisms of humans who are excellent continual learners. While most research on CL has been done on structured data such as images, there is a lack of research on CL for abstract logical concepts such as counting, sorting, and arithmetic, which humans learn gradually over time in the real world. In this work, for the first time, we introduce novel algorithmic reasoning (AR) methodology for continual tasks of abstract concepts: CLeAR. Our methodology proposes a one-to-many mapping of input distribution to a shared mapping space, which allows the alignment of various tasks of different dimensions and shared semantics. Our tasks of abstract logical concepts, in the form of formal language, can be classified into Chomsky hierarchies based on their difficulty. In this study, we conducted extensive experiments consisting of 15 tasks with various levels of Chomsky hierarchy, ranging from in-hierarchy to inter-hierarchy scenarios. CLeAR not only achieved near zero forgetting but also improved accuracy during following tasks, a phenomenon known as backward transfer, while previous CL methods designed for image classification drastically failed.
Machine learning for differential equations paves the way for computationally efficient alternatives to numerical solvers, with potentially broad impacts in science and engineering. Though current algorithms typically require simulated training data tailored to a given setting, one may instead wish to learn useful information from heterogeneous sources, or from real dynamical systems observations that are messy or incomplete. In this work, we learn general-purpose representations of PDEs from heterogeneous data by implementing joint embedding methods for self-supervised learning (SSL), a framework for unsupervised representation learning that has had notable success in computer vision. Our representation outperforms baseline approaches to invariant tasks, such as regressing the coefficients of a PDE, while also improving the time-stepping performance of neural solvers. We hope that our proposed methodology will prove useful in the eventual development of general-purpose foundation models for PDEs.
Miscellaneous Aspects of Machine Learning/Transfer, Multitask and Meta-learning
Supervised transfer learning has received considerable attention due to its potential to boost the predictive power of machine learning in scenarios where data are scarce. Generally, a given set of source models and a dataset from a target domain are used to adapt the pre-trained models to a target domain by statistically learning domain shift and domain-specific factors. While such procedurally and intuitively plausible methods have achieved great success in a wide range of real-world applications, the lack of a theoretical basis hinders further methodological development. This paper presents a general class of transfer learning regression called affine model transfer, following the principle of expected-square loss minimization. It is shown that the affine model transfer broadly encompasses various existing methods, including the most common procedure based on neural feature extractors. Furthermore, the current paper clarifies theoretical properties of the affine model transfer such as generalization error and excess risk. Through several case studies, we demonstrate the practical benefits of modeling and estimating inter-domain commonality and domain-specific factors separately with the affine-type transfer models.
Applications/Neuroscience, Cognitive Science
As Large Language Models (LLMs) become increasingly integrated into our everyday lives, understanding their ability to comprehend human mental states becomes critical for ensuring effective interactions. However, despite the recent attempts to assess the Theory-of-Mind (ToM) reasoning capabilities of LLMs, the degree to which these models can align with human ToM remains a nuanced topic of exploration. This is primarily due to two distinct challenges: (1) the presence of inconsistent results from previous evaluations, and (2) concerns surrounding the validity of existing evaluation methodologies. To address these challenges, we present a novel framework for procedurally generating evaluations with LLMs by populating causal templates. Using our framework, we create a new social reasoning benchmark (BigToM) for LLMs which consists of 25 controls and 5,000 model-written evaluations. We find that human participants rate the quality of our benchmark higher than previous crowd-sourced evaluations and comparable to expert-written evaluations. Using BigToM, we evaluate the social reasoning capabilities of a variety of LLMs and compare model performances with human performance. Our results suggest that GPT4 has ToM capabilities that mirror human inference patterns, though less reliable, while other LLMs struggle.
Applications/Chemistry and Drug Discovery
Graph Self-Supervised Learning (GSSL) provides a robust pathway for acquiring embeddings without expert labelling, a capability that carries profound implications for molecular graphs due to the staggering number of potential molecules and the high cost of obtaining labels. However, GSSL methods are designed not for optimisation within a specific domain but rather for transferability across a variety of downstream tasks. This broad applicability complicates their evaluation. Addressing this challenge, we present "Molecular Graph Representation Evaluation" (MOLGRAPHEVAL), generating detailed profiles of molecular graph embeddings with interpretable and diversified attributes. MOLGRAPHEVAL offers a suite of probing tasks grouped into three categories: (i) generic graph, (ii) molecular substructure, and (iii) embedding space properties. By leveraging MOLGRAPHEVAL to benchmark existing GSSL methods against both current downstream datasets and our suite of tasks, we uncover significant inconsistencies between inferences drawn solely from existing datasets and those derived from more nuanced probing. These findings suggest that current evaluation methodologies fail to capture the entirety of the landscape.
Deep Learning/Self-Supervised Learning
Foundation models have achieved remarkable results in 2D and language tasks like image segmentation, object detection, and visual-language understanding. However, their potential to enrich 3D scene representation learning is largely untapped due to the existence of the domain gap. In this work, we propose an innovative methodology called Bridge3D to address this gap by pre-training 3D models using features, semantic masks, and captions sourced from foundation models. Specifically, our method employs semantic masks from foundation models to guide the masking and reconstruction process for the masked autoencoder, enabling more focused attention on foreground representations. Moreover, we bridge the 3D-text gap at the scene level using image captioning foundation models, thereby facilitating scene-level knowledge distillation. We further extend this bridging effort by introducing an innovative object-level knowledge distillation method that harnesses highly accurate object-level masks and semantic text data from foundation models. Our methodology significantly surpasses the performance of existing state-of-the-art methods in 3D object detection and semantic segmentation tasks. For instance, on the ScanNet dataset, Bridge3D improves the baseline by a notable margin of 6.3%. Code will be available at: https://github.com/Zhimin-C/Bridge3D
Applications/Computer Vision
In this paper, we present a novel problem, namely video timeline modeling. Our objective is to create a video-associated timeline from a set of videos related to a specific topic, thereby facilitating the content and structure understanding of the story being told. This problem has significant potential in various real-world applications, for instance, news story summarization. To bootstrap research in this area, we curate a realistic benchmark dataset, YouTube-News-Timeline, consisting of over $12$k timelines and $300$k YouTube news videos. Additionally, we propose a set of quantitative metrics to comprehensively evaluate and compare methodologies. With such a testbed, we further develop and benchmark several deep learning approaches to tackling this problem. We anticipate that this exploratory work will pave the way for further research in video timeline modeling. The assets are available via https://github.com/google-research/google-research/tree/master/video_timeline_modeling.
Deep Learning/Everything Else
The extraordinary ability of generative models to generate photographic images has intensified concerns about the spread of disinformation, thereby leading to the demand for detectors capable of distinguishing between AI-generated fake images and real images. However, the lack of large datasets containing images from the most advanced image generators poses an obstacle to the development of such detectors. In this paper, we introduce the GenImage dataset, which has the following advantages: 1) Plenty of Images, including over one million pairs of AI-generated fake images and collected real images. 2) Rich Image Content, encompassing a broad range of image classes. 3) State-of-the-art Generators, synthesizing images with advanced diffusion models and GANs. The aforementioned advantages allow the detectors trained on GenImage to undergo a thorough evaluation and demonstrate strong applicability to diverse images. We conduct a comprehensive analysis of the dataset and propose two tasks for evaluating the detection method in resembling real-world scenarios. The cross-generator image classification task measures the performance of a detector trained on one generator when tested on the others. The degraded image classification task assesses the capability of the detectors in handling degraded images such as low-resolution, blurred, and compressed images. With the GenImage dataset, researchers can effectively expedite the development and evaluation of superior AI-generated image detectors in comparison to prevailing methodologies.
Applications/Computer Vision
Large language models have emerged as a promising approach towards achieving general-purpose AI agents. The thriving open-source LLM community has greatly accelerated the development of agents that support human-machine dialogue interaction through natural language processing. However, human interaction with the world extends beyond only text as a modality, and other modalities such as vision are also crucial. Recent works on multi-modal large language models, such as GPT-4V and Bard, have demonstrated their effectiveness in handling visual modalities. However, the transparency of these works is limited and insufficient to support academic research. To the best of our knowledge, we present one of the very first open-source endeavors in the field, LAMM, encompassing a Language-Assisted Multi-Modal instruction tuning dataset, framework, and benchmark. Our aim is to establish LAMM as a growing ecosystem for training and evaluating MLLMs, with a specific focus on facilitating AI agents capable of bridging the gap between ideas and execution, thereby enabling seamless human-AI interaction. Our main contribution is three-fold: 1) We present a comprehensive dataset and benchmark, which cover a wide range of vision tasks for 2D and 3D vision. Extensive experiments validate the effectiveness of our dataset and benchmark. 2) We outline the detailed methodology of constructing multi-modal instruction tuning datasets and benchmarks for MLLMs, enabling rapid scaling and extension of MLLM research to diverse domains, tasks, and modalities. 3) We provide a primary but potential MLLM training framework optimized for modality extension. We also provide baseline models, comprehensive experimental observations, and analysis to accelerate future research. Our baseline model is trained within 24 A100 GPU hours, framework supports training with V100 and RTX3090 is available thanks to the open-source society. Codes and data are now available at https://openlamm.github.io.
Applications/Computer Vision
High-precision point cloud anomaly detection is the gold standard for identifying the defects of advancing machining and precision manufacturing. Despite some methodological advances in this area, the scarcity of datasets and the lack of a systematic benchmark hinder its development. We introduce Real3D-AD, a challenging high-precision point cloud anomaly detection dataset, addressing the limitations in the field. With 1,254 high-resolution 3D items (from forty thousand to millions of points for each item), Real3D-AD is the largest dataset for high-precision 3D industrial anomaly detection to date. Real3D-AD surpasses existing 3D anomaly detection datasets available in terms of point cloud resolution (0.0010mm-0.0015mm), $360^{\circ}$ degree coverage and perfect prototype. Additionally, we present a comprehensive benchmark for Real3D-AD, revealing the absence of baseline methods for high-precision point cloud anomaly detection. To address this, we propose Reg3D-AD, a registration-based 3D anomaly detection method incorporating a novel feature memory bank that preserves local and global representations. Extensive experiments on the Real3D-AD dataset highlight the effectiveness of Reg3D-AD. For reproducibility and accessibility, we provide the Real3D-AD dataset, benchmark source code, and Reg3D-AD on our website: https://github.com/M-3LAB/Real3D-AD.
Applications/Robotics
Simulation with realistic, interactive agents represents a key task for autonomous vehicle software development. In this work, we introduce the Waymo Open Sim Agents Challenge (WOSAC). WOSAC is the first public challenge to tackle this task and propose corresponding metrics. The goal of the challenge is to stimulate the design of realistic simulators that can be used to evaluate and train a behavior model for autonomous driving. We outline our evaluation methodology, present results for a number of different baseline simulation agent methods, and analyze several submissions to the 2023 competition which ran from March 16, 2023 to May 23, 2023. The WOSAC evaluation server remains open for submissions and we discuss open problems for the task.
Applications/Language, Speech and Dialog
We investigate the mathematical capabilities of two iterations of ChatGPT (released 9-January-2023 and 30-January-2023) and of GPT-4 by testing them on publicly available datasets, as well as hand-crafted ones, using a novel methodology. In contrast to formal mathematics, where large databases of formal proofs are available (e.g., mathlib, the Lean Mathematical Library), current datasets of natural-language mathematics used to benchmark language models either cover only elementary mathematics or are very small. We address this by publicly releasing two new datasets: GHOSTS and miniGHOSTS. These are the first natural-language datasets curated by working researchers in mathematics that (1) aim to cover graduate-level mathematics, (2) provide a holistic overview of the mathematical capabilities of language models, and (3) distinguish multiple dimensions of mathematical reasoning. These datasets test on 1636 human expert evaluations whether ChatGPT and GPT-4 can be helpful assistants to professional mathematicians by emulating use cases that arise in the daily professional activities of mathematicians. We benchmark the models on a range of fine-grained performance metrics. For advanced mathematics, this is the most detailed evaluation effort to date. We find that ChatGPT and GPT-4 can be used most successfully as mathematical assistants for querying facts, acting as mathematical search engines and knowledge base interfaces. GPT-4 can additionally be used for undergraduate-level mathematics but fails on graduate-level difficulty. Contrary to many positive reports in the media about GPT-4 and ChatGPT's exam-solving abilities (a potential case of selection bias), their overall mathematical performance is well below the level of a graduate student. Hence, if you aim to use ChatGPT to pass a graduate-level math exam, you would be better off copying from your average peer!
Deep Learning/Generative Models and Autoencoders
Denoising diffusion models have recently emerged as the predominant paradigm for generative modelling on image domains. In addition, their extension to Riemannian manifolds has facilitated a range of applications across the natural sciences. While many of these problems stand to benefit from the ability to specify arbitrary, domain-informed constraints, this setting is not covered by the existing (Riemannian) diffusion model methodology. Recent work has attempted to address this issue by constructing novel noising processes based on the reflected Brownian motion and logarithmic barrier methods. However, the associated samplers are either computationally burdensome or only apply to convex subsets of Euclidean space. In this paper, we introduce an alternative, simple noising scheme based on Metropolis sampling that affords substantial gains in computational efficiency and empirical performance compared to the earlier samplers. Of independent interest, we prove that this new process corresponds to a valid discretisation of the reflected Brownian motion. We demonstrate the scalability and flexibility of our approach on a range of problem settings with convex and non-convex constraints, including applications from geospatial modelling, robotics and protein design.
Deep Learning/Generative Models and Autoencoders
Over the last several years, there has been significant progress in developing neural solvers for the Schrödinger Bridge (SB) problem and applying them to generative modelling. This new research field is justifiably fruitful as it is interconnected with the practically well-performing diffusion models and theoretically grounded entropic optimal transport (EOT). Still, the area lacks non-trivial tests allowing a researcher to understand how well the methods solve SB or its equivalent continuous EOT problem. We fill this gap and propose a novel way to create pairs of probability distributions for which the ground truth OT solution is known by the construction. Our methodology is generic and works for a wide range of OT formulations, in particular, it covers the EOT which is equivalent to SB (the main interest of our study). This development allows us to create continuous benchmark distributions with the known EOT and SB solutions on high-dimensional spaces such as spaces of images. As an illustration, we use these benchmark pairs to test how well existing neural EOT/SB solvers actually compute the EOT solution. Our code for constructing benchmark pairs under different setups is available at: https://github.com/ngushchin/EntropicOTBenchmark
Applications/Genetics, Cell Biology, etc
3D segmentation of nuclei images is a fundamental task for many biological studies. Despite the rapid advances of large-volume 3D imaging acquisition methods and the emergence of sophisticated algorithms to segment the nuclei in recent years, a benchmark with all cells completely annotated is still missing, making it hard to accurately assess and further improve the performance of the algorithms. The existing nuclei segmentation benchmarks either worked on 2D only or annotated a small number of 3D cells, perhaps due to the high cost of 3D annotation for large-scale data. To fulfill the critical need, we constructed NIS3D, a 3D, high cell density, large-volume, and completely annotated Nuclei Image Segmentation benchmark, assisted by our newly designed semi-automatic annotation software. NIS3D provides more than 22,000 cells across multiple most-used species in this area. Each cell is labeled by three independent annotators, so we can measure the variability of each annotation. A confidence score is computed for each cell, allowing more nuanced testing and performance comparison. A comprehensive review on the methods of segmenting 3D dense nuclei was conducted. The benchmark was used to evaluate the performance of several selected state-of-the-art segmentation algorithms. The best of current methods is still far away from human-level accuracy, corroborating the necessity of generating such a benchmark. The testing results also demonstrated the strength and weakness of each method and pointed out the directions of further methodological development. The dataset can be downloaded here: https://github.com/yu-lab-vt/NIS3D.