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Miscalibration in deep learning refers to there is a discrepancy between the predicted confidence and performance. This problem usually arises due to the overfitting problem, which is characterized by learning everything presented in the training set, resulting in overconfident predictions during testing. Existing methods typically address overfitting and mitigate the miscalibration by adding a maximum-entropy regularizer to the objective function. The objective can be understood as seeking a model that fits the ground-truth labels by increasing the confidence while also maximizing the entropy of predicted probabilities by decreasing the confidence. However, previous methods lack clear guidance on confidence adjustment, leading to conflicting objectives (increasing but also decreasing confidence). Therefore, we introduce a method called Dynamic Regularization (DReg), which aims to learn what should be learned during training thereby circumventing the confidence adjusting trade-off. At a high level, DReg aims to obtain a more reliable model capable of acknowledging what it knows and does not know. Specifically, DReg effectively fits the labels for in-distribution samples (samples that should be learned) while applying regularization dynamically to samples beyond model capabilities (e.g., outliers), thereby obtaining a robust calibrated model especially on the samples beyond model capabilities. Both theoretical and empirical analyses sufficiently demonstrate the superiority of DReg compared with previous methods.

Identifying correspondences in noisy data is a critically important step in estimation processes. When an informative initial estimation guess is available, the data association challenge is less acute; however, the existence of a high-quality initial guess is rare in most contexts. We explore graph-theoretic formulations for data association, which do not require an initial estimation guess. Existing graph-theoretic approaches optimize over unweighted graphs, discarding important consistency information encoded in weighted edges, and frequently attempt to solve NP-hard problems exactly. In contrast, we formulate a new optimization problem that fully leverages weighted graphs and seeks the densest edge-weighted clique. We introduce two relaxations to this problem: a convex semidefinite relaxation which we find to be empirically tight, and a fast first-order algorithm called CLIPPER which frequently arrives at nearly-optimal solutions in milliseconds. When evaluated on point cloud registration problems, our algorithms remain robust up to at least 95% outliers while existing algorithms begin breaking down at 80% outliers. Code is available at //mit-acl.github.io/clipper.

We propose a probabilistic perspective on adversarial examples. This perspective allows us to view geometric restrictions on adversarial examples as distributions, enabling a seamless shift towards data-driven, semantic constraints. Building on this foundation, we present a method for creating semantics-aware adversarial examples in a principle way. Leveraging the advanced generalization capabilities of contemporary probabilistic generative models, our method produces adversarial perturbations that maintain the original image's semantics. Moreover, it offers users the flexibility to inject their own understanding of semantics into the adversarial examples. Our empirical findings indicate that the proposed methods achieve enhanced transferability and higher success rates in circumventing adversarial defense mechanisms, while maintaining a low detection rate by human observers.

Relevant combinatorial optimization problems (COPs) are often NP-hard. While they have been tackled mainly via handcrafted heuristics in the past, advances in neural networks have motivated the development of general methods to learn heuristics from data. Many approaches utilize a neural network to directly construct a solution, but are limited in further improving based on already constructed solutions at inference time. Our approach, Moco, learns a graph neural network that updates the solution construction procedure based on features extracted from the current search state. This meta training procedure targets the overall best solution found during the search procedure given information such as the search budget. This allows Moco to adapt to varying circumstances such as different computational budgets. Moco is a fully learnable meta optimizer that does not utilize any problem specific local search or decomposition. We test Moco on the Traveling Salesman Problem (TSP) and Maximum Independent Set (MIS) and show that it outperforms other approaches on MIS and is overall competitive on the TSP, especially outperforming related approaches, partially even if they use additional local search.

Transformer is a promising neural network learner, and has achieved great success in various machine learning tasks. Thanks to the recent prevalence of multimodal applications and big data, Transformer-based multimodal learning has become a hot topic in AI research. This paper presents a comprehensive survey of Transformer techniques oriented at multimodal data. The main contents of this survey include: (1) a background of multimodal learning, Transformer ecosystem, and the multimodal big data era, (2) a theoretical review of Vanilla Transformer, Vision Transformer, and multimodal Transformers, from a geometrically topological perspective, (3) a review of multimodal Transformer applications, via two important paradigms, i.e., for multimodal pretraining and for specific multimodal tasks, (4) a summary of the common challenges and designs shared by the multimodal Transformer models and applications, and (5) a discussion of open problems and potential research directions for the community.

Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.

Distant supervision can effectively label data for relation extraction, but suffers from the noise labeling problem. Recent works mainly perform soft bag-level noise reduction strategies to find the relatively better samples in a sentence bag, which is suboptimal compared with making a hard decision of false positive samples in sentence level. In this paper, we introduce an adversarial learning framework, which we named DSGAN, to learn a sentence-level true-positive generator. Inspired by Generative Adversarial Networks, we regard the positive samples generated by the generator as the negative samples to train the discriminator. The optimal generator is obtained until the discrimination ability of the discriminator has the greatest decline. We adopt the generator to filter distant supervision training dataset and redistribute the false positive instances into the negative set, in which way to provide a cleaned dataset for relation classification. The experimental results show that the proposed strategy significantly improves the performance of distant supervision relation extraction comparing to state-of-the-art systems.

ASR (automatic speech recognition) systems like Siri, Alexa, Google Voice or Cortana has become quite popular recently. One of the key techniques enabling the practical use of such systems in people's daily life is deep learning. Though deep learning in computer vision is known to be vulnerable to adversarial perturbations, little is known whether such perturbations are still valid on the practical speech recognition. In this paper, we not only demonstrate such attacks can happen in reality, but also show that the attacks can be systematically conducted. To minimize users' attention, we choose to embed the voice commands into a song, called CommandSong. In this way, the song carrying the command can spread through radio, TV or even any media player installed in the portable devices like smartphones, potentially impacting millions of users in long distance. In particular, we overcome two major challenges: minimizing the revision of a song in the process of embedding commands, and letting the CommandSong spread through the air without losing the voice "command". Our evaluation demonstrates that we can craft random songs to "carry" any commands and the modify is extremely difficult to be noticed. Specially, the physical attack that we play the CommandSongs over the air and record them can success with 94 percentage.

Image segmentation is still an open problem especially when intensities of the interested objects are overlapped due to the presence of intensity inhomogeneity (also known as bias field). To segment images with intensity inhomogeneities, a bias correction embedded level set model is proposed where Inhomogeneities are Estimated by Orthogonal Primary Functions (IEOPF). In the proposed model, the smoothly varying bias is estimated by a linear combination of a given set of orthogonal primary functions. An inhomogeneous intensity clustering energy is then defined and membership functions of the clusters described by the level set function are introduced to rewrite the energy as a data term of the proposed model. Similar to popular level set methods, a regularization term and an arc length term are also included to regularize and smooth the level set function, respectively. The proposed model is then extended to multichannel and multiphase patterns to segment colourful images and images with multiple objects, respectively. It has been extensively tested on both synthetic and real images that are widely used in the literature and public BrainWeb and IBSR datasets. Experimental results and comparison with state-of-the-art methods demonstrate that advantages of the proposed model in terms of bias correction and segmentation accuracy.