OpenRaiser/Intern-Atlas huggingface dataset:
On Training Derivative-Constrained Neural Networks
Venue: arXiv cs.LG 2023
Year: 2023

We refer to the setting where the (partial) derivatives of a neural network's (NN's) predictions with respect to its inputs are used as additional training signal as a derivative-constrained (DC) NN. This situation is common in physics-informed settings in the natural sciences. We propose an integrated RELU (IReLU) activation function to improve training of DC NNs. We also investigate denormalization and label rescaling to help stabilize DC training. We evaluate our methods on physics-informed settings including quantum chemistry and Scientific Machine Learning (SciML) tasks. We demonstrate that existing architectures with IReLU activations combined with denormalization and label rescaling better incorporate training signal provided by derivative constraints.
SYRAC: Synthesize, Rank, and Count
Venue: arXiv cs.CV 2023
Year: 2023

Crowd counting is a critical task in computer vision, with several important applications. However, existing counting methods rely on labor-intensive density map annotations, necessitating the manual localization of each individual pedestrian. While recent efforts have attempted to alleviate the annotation burden through weakly or semi-supervised learning, these approaches fall short of significantly reducing the workload. We propose a novel approach to eliminate the annotation burden by leveraging latent diffusion models to generate synthetic data. However, these models struggle to reliably understand object quantities, leading to noisy annotations when prompted to produce images with a specific quantity of objects. To address this, we use latent diffusion models to create two types of synthetic data: one by removing pedestrians from real images, which generates ranked image pairs with a weak but reliable object quantity signal, and the other by generating synthetic images with a predetermined number of objects, offering a strong but noisy counting signal. Our method utilizes the ranking image pairs for pre-training and then fits a linear layer to the noisy synthetic images using these crowd quantity features. We report state-of-the-art results for unsupervised crowd counting.
STARS: Zero-shot Sim-to-Real Transfer for Segmentation of Shipwrecks in Sonar Imagery
Venue: arXiv cs.CV 2023
Year: 2023

In this paper, we address the problem of sim-to-real transfer for object segmentation when there is no access to real examples of an object of interest during training, i.e. zero-shot sim-to-real transfer for segmentation. We focus on the application of shipwreck segmentation in side scan sonar imagery. Our novel segmentation network, STARS, addresses this challenge by fusing a predicted deformation field and anomaly volume, allowing it to generalize better to real sonar images and achieve more effective zero-shot sim-to-real transfer for image segmentation. We evaluate the sim-to-real transfer capabilities of our method on a real, expert-labeled side scan sonar dataset of shipwrecks collected from field work surveys with an autonomous underwater vehicle (AUV). STARS is trained entirely in simulation and performs zero-shot shipwreck segmentation with no additional fine-tuning on real data. Our method provides a significant 20% increase in segmentation performance for the targeted shipwreck class compared to the best baseline.
A Versatile Data Fabric for Advanced IoT-Based Remote Health Monitoring
Venue: arXiv cs.CY 2023
Year: 2023

This paper presents a data-centric and security-focused data fabric designed for digital health applications. With the increasing interest in digital health research, there has been a surge in the volume of Internet of Things (IoT) data derived from smartphones, wearables, and ambient sensors. Managing this vast amount of data, encompassing diverse data types and varying time scales, is crucial. Moreover, compliance with regulatory and contractual obligations is essential. The proposed data fabric comprises an architecture and a toolkit that facilitate the integration of heterogeneous data sources, across different environments, to provide a unified view of the data in dashboards. Furthermore, the data fabric supports the development of reusable and configurable data integration components, which can be shared as open-source or inner-source software. These components are used to generate data pipelines that can be deployed and scheduled to run either in the cloud or on-premises. Additionally, we present the implementation of our data fabric in a home-based telemonitoring research project involving older adults, conducted in collaboration with the University of California, San Diego (UCSD). The study showcases the streamlined integration of data collected from various IoT sensors and mobile applications to create a unified view of older adults' health for further analysis and research.
Estimating and Implementing Conventional Fairness Metrics With Probabilistic Protected Features
Venue: arXiv cs.LG 2023
Year: 2023

The vast majority of techniques to train fair models require access to the protected attribute (e.g., race, gender), either at train time or in production. However, in many important applications this protected attribute is largely unavailable. In this paper, we develop methods for measuring and reducing fairness violations in a setting with limited access to protected attribute labels. Specifically, we assume access to protected attribute labels on a small subset of the dataset of interest, but only probabilistic estimates of protected attribute labels (e.g., via Bayesian Improved Surname Geocoding) for the rest of the dataset. With this setting in mind, we propose a method to estimate bounds on common fairness metrics for an existing model, as well as a method for training a model to limit fairness violations by solving a constrained non-convex optimization problem. Unlike similar existing approaches, our methods take advantage of contextual information -- specifically, the relationships between a model's predictions and the probabilistic prediction of protected attributes, given the true protected attribute, and vice versa -- to provide tighter bounds on the true disparity. We provide an empirical illustration of our methods using voting data. First, we show our measurement method can bound the true disparity up to 5.5x tighter than previous methods in these applications. Then, we demonstrate that our training technique effectively reduces disparity while incurring lesser fairness-accuracy trade-offs than other fair optimization methods with limited access to protected attributes.
Closing the Curious Case of Neural Text Degeneration
Venue: arXiv cs.CL 2023
Year: 2023

Despite their ubiquity in language generation, it remains unknown why truncation sampling heuristics like nucleus sampling are so effective. We provide a theoretical explanation for the effectiveness of the truncation sampling by proving that truncation methods that discard tokens below some probability threshold (the most common type of truncation) can guarantee that all sampled tokens have nonzero true probability. However, thresholds are a coarse heuristic, and necessarily discard some tokens with nonzero true probability as well. In pursuit of a more precise sampling strategy, we show that we can leverage a known source of model errors, the softmax bottleneck, to prove that certain tokens have nonzero true probability, without relying on a threshold. Based on our findings, we develop an experimental truncation strategy and the present pilot studies demonstrating the promise of this type of algorithm. Our evaluations show that our method outperforms its threshold-based counterparts under automatic and human evaluation metrics for low-entropy (i.e., close to greedy) open-ended text generation. Our theoretical findings and pilot experiments provide both insight into why truncation sampling works, and make progress toward more expressive sampling algorithms that better surface the generative capabilities of large language models.
Transformers are efficient hierarchical chemical graph learners
Venue: arXiv cs.LG 2023
Year: 2023

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to computational challenges for even moderately-sized graphs due to the quadratic scaling of self-attention complexity with token count. In this paper, we introduce SubFormer, a graph transformer that operates on subgraphs that aggregate information by a message-passing mechanism. This approach reduces the number of tokens and enhances learning long-range interactions. We demonstrate SubFormer on benchmarks for predicting molecular properties from chemical structures and show that it is competitive with state-of-the-art graph transformers at a fraction of the computational cost, with training times on the order of minutes on a consumer-grade graphics card. We interpret the attention weights in terms of chemical structures. We show that SubFormer exhibits limited over-smoothing and avoids over-squashing, which is prevalent in traditional graph neural networks.
Large Language Models for Test-Free Fault Localization
Venue: arXiv cs.SE 2023
Year: 2023

Fault Localization (FL) aims to automatically localize buggy lines of code, a key first step in many manual and automatic debugging tasks. Previous FL techniques assume the provision of input tests, and often require extensive program analysis, program instrumentation, or data preprocessing. Prior work on deep learning for APR struggles to learn from small datasets and produces limited results on real-world programs. Inspired by the ability of large language models (LLMs) of code to adapt to new tasks based on very few examples, we investigate the applicability of LLMs to line level fault localization. Specifically, we propose to overcome the left-to-right nature of LLMs by fine-tuning a small set of bidirectional adapter layers on top of the representations learned by LLMs to produce LLMAO, the first language model based fault localization approach that locates buggy lines of code without any test coverage information. We fine-tune LLMs with 350 million, 6 billion, and 16 billion parameters on small, manually curated corpora of buggy programs such as the Defects4J corpus. We observe that our technique achieves substantially more confidence in fault localization when built on the larger models, with bug localization performance scaling consistently with the LLM size. Our empirical evaluation shows that LLMAO improves the Top-1 results over the state-of-the-art machine learning fault localization (MLFL) baselines by 2.3%-54.4%, and Top-5 results by 14.4%-35.6%. LLMAO is also the first FL technique trained using a language model architecture that can detect security vulnerabilities down to the code line level.
Learning Expected Appearances for Intraoperative Registration during Neurosurgery
Venue: arXiv cs.CV 2023
Year: 2023

We present a novel method for intraoperative patient-to-image registration by learning Expected Appearances. Our method uses preoperative imaging to synthesize patient-specific expected views through a surgical microscope for a predicted range of transformations. Our method estimates the camera pose by minimizing the dissimilarity between the intraoperative 2D view through the optical microscope and the synthesized expected texture. In contrast to conventional methods, our approach transfers the processing tasks to the preoperative stage, reducing thereby the impact of low-resolution, distorted, and noisy intraoperative images, that often degrade the registration accuracy. We applied our method in the context of neuronavigation during brain surgery. We evaluated our approach on synthetic data and on retrospective data from 6 clinical cases. Our method outperformed state-of-the-art methods and achieved accuracies that met current clinical standards.
Sampling Multimodal Distributions with the Vanilla Score: Benefits of Data-Based Initialization
Venue: arXiv cs.LG 2023
Year: 2023

There is a long history, as well as a recent explosion of interest, in statistical and generative modeling approaches based on score functions -- derivatives of the log-likelihood of a distribution. In seminal works, Hyvärinen proposed vanilla score matching as a way to learn distributions from data by computing an estimate of the score function of the underlying ground truth, and established connections between this method and established techniques like Contrastive Divergence and Pseudolikelihood estimation. It is by now well-known that vanilla score matching has significant difficulties learning multimodal distributions. Although there are various ways to overcome this difficulty, the following question has remained unanswered -- is there a natural way to sample multimodal distributions using just the vanilla score? Inspired by a long line of related experimental works, we prove that the Langevin diffusion with early stopping, initialized at the empirical distribution, and run on a score function estimated from data successfully generates natural multimodal distributions (mixtures of log-concave distributions).
Can large language models provide useful feedback on research papers? A large-scale empirical analysis
Venue: arXiv cs.LG 2023
Year: 2023

Expert feedback lays the foundation of rigorous research. However, the rapid growth of scholarly production and intricate knowledge specialization challenge the conventional scientific feedback mechanisms. High-quality peer reviews are increasingly difficult to obtain. Researchers who are more junior or from under-resourced settings have especially hard times getting timely feedback. With the breakthrough of large language models (LLM) such as GPT-4, there is growing interest in using LLMs to generate scientific feedback on research manuscripts. However, the utility of LLM-generated feedback has not been systematically studied. To address this gap, we created an automated pipeline using GPT-4 to provide comments on the full PDFs of scientific papers. We evaluated the quality of GPT-4's feedback through two large-scale studies. We first quantitatively compared GPT-4's generated feedback with human peer reviewer feedback in 15 Nature family journals (3,096 papers in total) and the ICLR machine learning conference (1,709 papers). The overlap in the points raised by GPT-4 and by human reviewers (average overlap 30.85% for Nature journals, 39.23% for ICLR) is comparable to the overlap between two human reviewers (average overlap 28.58% for Nature journals, 35.25% for ICLR). The overlap between GPT-4 and human reviewers is larger for the weaker papers. We then conducted a prospective user study with 308 researchers from 110 US institutions in the field of AI and computational biology to understand how researchers perceive feedback generated by our GPT-4 system on their own papers. Overall, more than half (57.4%) of the users found GPT-4 generated feedback helpful/very helpful and 82.4% found it more beneficial than feedback from at least some human reviewers. While our findings show that LLM-generated feedback can help researchers, we also identify several limitations.
Extending CAM-based XAI methods for Remote Sensing Imagery Segmentation
Venue: arXiv cs.CV 2023
Year: 2023

Current AI-based methods do not provide comprehensible physical interpretations of the utilized data, extracted features, and predictions/inference operations. As a result, deep learning models trained using high-resolution satellite imagery lack transparency and explainability and can be merely seen as a black box, which limits their wide-level adoption. Experts need help understanding the complex behavior of AI models and the underlying decision-making process. The explainable artificial intelligence (XAI) field is an emerging field providing means for robust, practical, and trustworthy deployment of AI models. Several XAI techniques have been proposed for image classification tasks, whereas the interpretation of image segmentation remains largely unexplored. This paper offers to bridge this gap by adapting the recent XAI classification algorithms and making them usable for muti-class image segmentation, where we mainly focus on buildings' segmentation from high-resolution satellite images. To benchmark and compare the performance of the proposed approaches, we introduce a new XAI evaluation methodology and metric based on "Entropy" to measure the model uncertainty. Conventional XAI evaluation methods rely mainly on feeding area-of-interest regions from the image back to the pre-trained (utility) model and then calculating the average change in the probability of the target class. Those evaluation metrics lack the needed robustness, and we show that using Entropy to monitor the model uncertainty in segmenting the pixels within the target class is more suitable. We hope this work will pave the way for additional XAI research for image segmentation and applications in the remote sensing discipline.
Conditional Instrumental Variable Regression with Representation Learning for Causal Inference
Venue: arXiv cs.LG 2023
Year: 2023

This paper studies the challenging problem of estimating causal effects from observational data, in the presence of unobserved confounders. The two-stage least square (TSLS) method and its variants with a standard instrumental variable (IV) are commonly used to eliminate confounding bias, including the bias caused by unobserved confounders, but they rely on the linearity assumption. Besides, the strict condition of unconfounded instruments posed on a standard IV is too strong to be practical. To address these challenging and practical problems of the standard IV method (linearity assumption and the strict condition), in this paper, we use a conditional IV (CIV) to relax the unconfounded instrument condition of standard IV and propose a non-linear CIV regression with Confounding Balancing Representation Learning, CBRL.CIV, for jointly eliminating the confounding bias from unobserved confounders and balancing the observed confounders, without the linearity assumption. We theoretically demonstrate the soundness of CBRL.CIV. Extensive experiments on synthetic and two real-world datasets show the competitive performance of CBRL.CIV against state-of-the-art IV-based estimators and superiority in dealing with the non-linear situation.
DeepDecipher: Accessing and Investigating Neuron Activation in Large Language Models
Venue: arXiv cs.LG 2023
Year: 2023

As large language models (LLMs) become more capable, there is an urgent need for interpretable and transparent tools. Current methods are difficult to implement, and accessible tools to analyze model internals are lacking. To bridge this gap, we present DeepDecipher - an API and interface for probing neurons in transformer models' MLP layers. DeepDecipher makes the outputs of advanced interpretability techniques for LLMs readily available. The easy-to-use interface also makes inspecting these complex models more intuitive. This paper outlines DeepDecipher's design and capabilities. We demonstrate how to analyze neurons, compare models, and gain insights into model behavior. For example, we contrast DeepDecipher's functionality with similar tools like Neuroscope and OpenAI's Neuron Explainer. DeepDecipher enables efficient, scalable analysis of LLMs. By granting access to state-of-the-art interpretability methods, DeepDecipher makes LLMs more transparent, trustworthy, and safe. Researchers, engineers, and developers can quickly diagnose issues, audit systems, and advance the field.
Enhancing Workflow Security in Multi-Cloud Environments through Monitoring and Adaptation upon Cloud Service and Network Security Violations
Venue: arXiv cs.CR 2023
Year: 2023

Cloud computing has emerged as a crucial solution for handling data- and compute-intensive workflows, offering scalability to address dynamic demands. However, ensuring the secure execution of workflows in the untrusted multi-cloud environment poses significant challenges, given the sensitive nature of the involved data and tasks. The lack of comprehensive approaches for detecting attacks during workflow execution, coupled with inadequate measures for reacting to security and privacy breaches has been identified in the literature. To close this gap, in this work, we propose an approach that focuses on monitoring cloud services and networks to detect security violations during workflow executions. Upon detection, our approach selects the optimal adaptation action to minimize the impact on the workflow. To mitigate the uncertain cost associated with such adaptations and their potential impact on other tasks in the workflow, we employ adaptive learning to determine the most suitable adaptation action. Our approach is evaluated based on the performance of the detection procedure and the impact of the selected adaptations on the workflows.
Ring Attention with Blockwise Transformers for Near-Infinite Context
Venue: arXiv cs.CL 2023
Year: 2023

Transformers have emerged as the architecture of choice for many state-of-the-art AI models, showcasing exceptional performance across a wide range of AI applications. However, the memory demands imposed by Transformers limit their ability to handle long sequences, thereby posing challenges in utilizing videos, actions, and other long-form sequences and modalities in complex environments. We present a novel approach, Ring Attention with Blockwise Transformers (Ring Attention), which leverages blockwise computation of self-attention and feedforward to distribute long sequences across multiple devices while fully overlapping the communication of key-value blocks with the computation of blockwise attention. Our approach enables training and inference of sequences that are up to device count times longer than those achievable by prior memory-efficient Transformers, without resorting to approximations or incurring additional communication and computation overheads. Extensive experiments on language modeling and reinforcement learning tasks demonstrate the effectiveness of our approach in allowing millions of tokens context size and improving performance.
Beyond the Benchmark: Detecting Diverse Anomalies in Videos
Venue: arXiv cs.CV 2023
Year: 2023

Video Anomaly Detection (VAD) plays a crucial role in modern surveillance systems, aiming to identify various anomalies in real-world situations. However, current benchmark datasets predominantly emphasize simple, single-frame anomalies such as novel object detection. This narrow focus restricts the advancement of VAD models. In this research, we advocate for an expansion of VAD investigations to encompass intricate anomalies that extend beyond conventional benchmark boundaries. To facilitate this, we introduce two datasets, HMDB-AD and HMDB-Violence, to challenge models with diverse action-based anomalies. These datasets are derived from the HMDB51 action recognition dataset. We further present Multi-Frame Anomaly Detection (MFAD), a novel method built upon the AI-VAD framework. AI-VAD utilizes single-frame features such as pose estimation and deep image encoding, and two-frame features such as object velocity. They then apply a density estimation algorithm to compute anomaly scores. To address complex multi-frame anomalies, we add a deep video encoding features capturing long-range temporal dependencies, and logistic regression to enhance final score calculation. Experimental results confirm our assumptions, highlighting existing models limitations with new anomaly types. MFAD excels in both simple and complex anomaly detection scenarios.