In many applications, such as scientific literature management, researcher search, social network analysis and etc, Name Disambiguation In our project, we aim to implement author name disambiguation (aiming at disambiguating WhoIsWho) has been a challenging techniques to disambiguate profiles of authors with similar names problem. In addition, the growth of scientific literature makes the and affiliations. We study the problem from a network perspective problem more difficult and urgent. Although name disambiguation where researchers communicate with one another by means of their has been extensively studied in academia and industry, the problem publication. The network is modeled as a bipartite graph containing has not been solved well due to the clutter of data and the complexity two types of nodes, viz.

Self-supervised learning (SSL) algorithms can produce useful image representations by learning to associate different parts of natural images with one another. However, when taken to the extreme, SSL models can unintendedly memorize specific parts in individual training samples rather than learning semantically meaningful associations. In this work, we perform a systematic study of the unintended memorization of image-specific information in SSL models -- which we refer to as d\'ej\`a vu memorization. Concretely, we show that given the trained model and a crop of a training image containing only the background (e.g., water, sky, grass), it is possible to infer the foreground object with high accuracy or even visually reconstruct it. Furthermore, we show that d\'ej\`a vu memorization is common to different SSL algorithms, is exacerbated by certain design choices, and cannot be detected by conventional techniques for evaluating representation quality. Our study of d\'ej\`a vu memorization reveals previously unknown privacy risks in SSL models, as well as suggests potential practical mitigation strategies. Code is available at https://github.com/facebookresearch/DejaVu.

Protein-ligand binding prediction is a fundamental problem in AI-driven drug discovery. Prior work focused on supervised learning methods using a large set of binding affinity data for small molecules, but it is hard to apply the same strategy to other drug classes like antibodies as labelled data is limited. In this paper, we explore unsupervised approaches and reformulate binding energy prediction as a generative modeling task. Specifically, we train an energy-based model on a set of unlabelled protein-ligand complexes using SE(3) denoising score matching and interpret its log-likelihood as binding affinity. Our key contribution is a new equivariant rotation prediction network called Neural Euler's Rotation Equations (NERE) for SE(3) score matching. It predicts a rotation by modeling the force and torque between protein and ligand atoms, where the force is defined as the gradient of an energy function with respect to atom coordinates. We evaluate NERE on protein-ligand and antibody-antigen binding affinity prediction benchmarks. Our model outperforms all unsupervised baselines (physics-based and statistical potentials) and matches supervised learning methods in the antibody case.

Vision Transformers have been rapidly uprising in computer vision thanks to their outstanding scaling trends, and gradually replacing convolutional neural networks (CNNs). Recent works on self-supervised learning (SSL) introduce siamese pre-training tasks, on which Transformer backbones continue to demonstrate ever stronger results than CNNs. People come to believe that Transformers or self-attention modules are inherently more suitable than CNNs in the context of SSL. However, it is noteworthy that most if not all prior arts of SSL with CNNs chose the standard ResNets as their backbones, whose architecture effectiveness is known to already lag behind advanced Vision Transformers. Therefore, it remains unclear whether the self-attention operation is crucial for the recent advances in SSL - or CNNs can deliver the same excellence with more advanced designs, too? Can we close the SSL performance gap between Transformers and CNNs? To answer these intriguing questions, we apply self-supervised pre-training to the recently proposed, stronger lager-kernel CNN architecture and conduct an apple-to-apple comparison with Transformers, in their SSL performance. Our results show that we are able to build pure CNN SSL architectures that perform on par with or better than the best SSL-trained Transformers, by just scaling up convolutional kernel sizes besides other small tweaks. Impressively, when transferring to the downstream tasks \texttt{MS COCO} detection and segmentation, our SSL pre-trained CNN model (trained in 100 epochs) achieves the same good performance as the 300-epoch pre-trained Transformer counterpart. We hope this work can help to better understand what is essential (or not) for self-supervised learning backbones.

Self-Supervised Learning (SSL) is a paradigm that leverages unlabeled data for model training. Empirical studies show that SSL can achieve promising performance in distribution shift scenarios, where the downstream and training distributions differ. However, the theoretical understanding of its transferability remains limited. In this paper, we develop a theoretical framework to analyze the transferability of self-supervised contrastive learning, by investigating the impact of data augmentation on it. Our results reveal that the downstream performance of contrastive learning depends largely on the choice of data augmentation. Moreover, we show that contrastive learning fails to learn domain-invariant features, which limits its transferability. Based on these theoretical insights, we propose a novel method called Augmentation-robust Contrastive Learning (ArCL), which guarantees to learn domain-invariant features and can be easily integrated with existing contrastive learning algorithms. We conduct experiments on several datasets and show that ArCL significantly improves the transferability of contrastive learning. A common assumption in designing machine learning algorithms is that training and test samples are drawn from the same distribution.

Diffusion models trained on large datasets can synthesize photo-realistic images of remarkable quality and diversity. However, attributing these images back to the training data-that is, identifying specific training examples which caused an image to be generated-remains a challenge. In this paper, we propose a framework that: (i) provides a formal notion of data attribution in the context of diffusion models, and (ii) allows us to counterfactually validate such attributions. Then, we provide a method for computing these attributions efficiently. Finally, we apply our method to find (and evaluate) such attributions for denoising diffusion probabilistic models trained on CIFAR-10 and latent diffusion models trained on MS COCO. We provide code at https://github.com/MadryLab/journey-TRAK .

For the task of fine-grained entity typing (FET), due to the use of a large number of entity types, it is usually considered too costly to manually annotating a training dataset that contains an ample number of examples for each type. A common way to address this problem is to use distantly annotated training data that contains incorrect labels. However, the performance of models trained solely with such data can be limited by the errors in the automatic annotation. Recently, there are a few approaches that no longer follow this conventional way. But without using sufficient direct entity typing supervision may also cause them to yield inferior performance. In this paper, we propose a new approach that can avoid the need of creating distantly labeled data whenever there is a new type schema. We first train an entity typing model that have an extremely board type coverage by using the ultra-fine entity typing data. Then, when there is a need to produce a model for a newly designed fine-grained entity type schema. We can simply fine-tune the previously trained model with a small number of examples annotated under this schema. Experimental results show that our approach achieves outstanding performance for FET under the few-shot setting. It can also outperform state-of-the-art weak supervision based methods after fine-tuning the model with only a small size manually annotated training set.

Partial-label learning (PLL) relies on a key assumption that the true label of each training example must be in the candidate label set. This restrictive assumption may be violated in complex real-world scenarios, and thus the true label of some collected examples could be unexpectedly outside the assigned candidate label set. In this paper, we term the examples whose true label is outside the candidate label set OOC (out-of-candidate) examples, and pioneer a new PLL study to learn with OOC examples. We consider two types of OOC examples in reality, i.e., the closed-set/open-set OOC examples whose true label is inside/outside the known label space. To solve this new PLL problem, we first calculate the wooden cross-entropy loss from candidate and non-candidate labels respectively, and dynamically differentiate the two types of OOC examples based on specially designed criteria. Then, for closed-set OOC examples, we conduct reversed label disambiguation in the non-candidate label set; for open-set OOC examples, we leverage them for training by utilizing an effective regularization strategy that dynamically assigns random candidate labels from the candidate label set. In this way, the two types of OOC examples can be differentiated and further leveraged for model training. Extensive experiments demonstrate that our proposed method outperforms state-of-the-art PLL methods.

We present a new method for functional tissue unit segmentation at the cellular level, which utilizes the latest deep learning semantic segmentation approaches together with domain adaptation and semi-supervised learning techniques. This approach allows for minimizing the domain gap, class imbalance, and captures settings influence between HPA and HubMAP datasets. The presented approach achieves comparable with state-of-the-art-result in functional tissue unit segmentation at the cellular level.

The mechanisms behind the success of multi-view self-supervised learning (MVSSL) are not yet fully understood. Contrastive MVSSL methods have been studied through the lens of InfoNCE, a lower bound of the Mutual Information (MI). However, the relation between other MVSSL methods and MI remains unclear. We consider a different lower bound on the MI consisting of an entropy and a reconstruction term (ER), and analyze the main MVSSL families through its lens. Through this ER bound, we show that clustering-based methods such as DeepCluster and SwAV maximize the MI. We also re-interpret the mechanisms of distillation-based approaches such as BYOL and DINO, showing that they explicitly maximize the reconstruction term and implicitly encourage a stable entropy, and we confirm this empirically. We show that replacing the objectives of common MVSSL methods with this ER bound achieves competitive performance, while making them stable when training with smaller batch sizes or smaller exponential moving average (EMA) coefficients. Github repo: https://github.com/apple/ml-entropy-reconstruction.