We tackle the issue of generalized category discovery (GCD). GCD considers the open-world problem of automatically clustering a partially labelled dataset, in which the unlabelled data contain instances from novel categories and also the labelled classes. In this paper, we address the GCD problem without a known category number in the unlabelled data. We propose a framework, named CiPR, to bootstrap the representation by exploiting Cross-instance Positive Relations for contrastive learning in the partially labelled data which are neglected in existing methods. First, to obtain reliable cross-instance relations to facilitate the representation learning, we introduce a semi-supervised hierarchical clustering algorithm, named selective neighbor clustering (SNC), which can produce a clustering hierarchy directly from the connected components in the graph constructed by selective neighbors. We also extend SNC to be capable of label assignment for the unlabelled instances with the given class number. Moreover, we present a method to estimate the unknown class number using SNC with a joint reference score considering clustering indexes of both labelled and unlabelled data. Finally, we thoroughly evaluate our framework on public generic image recognition datasets and challenging fine-grained datasets, all establishing the new state-of-the-art.

The abstract outlines the problem of toxic comments on social media platforms, where individuals use disrespectful, abusive, and unreasonable language that can drive users away from discussions. This behavior is referred to as anti-social behavior, which occurs during online debates, comments, and fights. The comments containing explicit language can be classified into various categories, such as toxic, severe toxic, obscene, threat, insult, and identity hate. This behavior leads to online harassment and cyberbullying, which forces individuals to stop expressing their opinions and ideas. To protect users from offensive language, companies have started flagging comments and blocking users. The abstract proposes to create a classifier using an Lstm-cnn model that can differentiate between toxic and non-toxic comments with high accuracy. The classifier can help organizations examine the toxicity of the comment section better.

In the field of artificial intelligence for science, it is consistently an essential challenge to face a limited amount of labeled data for real-world problems. The prevailing approach is to pretrain a powerful task-agnostic model on a large unlabeled corpus but may struggle to transfer knowledge to downstream tasks. In this study, we propose InstructMol, a semi-supervised learning algorithm, to take better advantage of unlabeled examples. It introduces an instructor model to provide the confidence ratios as the measurement of pseudo-labels' reliability. These confidence scores then guide the target model to pay distinct attention to different data points, avoiding the over-reliance on labeled data and the negative influence of incorrect pseudo-annotations. Comprehensive experiments show that InstructBio substantially improves the generalization ability of molecular models, in not only molecular property predictions but also activity cliff estimations, demonstrating the superiority of the proposed method. Furthermore, our evidence indicates that InstructBio can be equipped with cutting-edge pretraining methods and used to establish large-scale and task-specific pseudo-labeled molecular datasets, which reduces the predictive errors and shortens the training process. Our work provides strong evidence that semi-supervised learning can be a promising tool to overcome the data scarcity limitation and advance molecular representation learning.

By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled sample generation. Most of these existing methods either formulate the controlling information as an input (i.e.,: conditional representation) for the noise approximator, or introduce a pre-trained classifier in the test-phase to guide the Langevin dynamic towards the conditional goal. However, the former line of methods only work when the controlling information can be formulated as conditional representations, while the latter requires the pre-trained guidance classifier to be differentiable. In this paper, we propose a novel framework named RGDM (Reward-Guided Diffusion Model) that guides the training-phase of diffusion models via reinforcement learning (RL). The proposed training framework bridges the objective of weighted log-likelihood and maximum entropy RL, which enables calculating policy gradients via samples from a pay-off distribution proportional to exponential scaled rewards, rather than from policies themselves. Such a framework alleviates the high gradient variances and enables diffusion models to explore for highly rewarded samples in the reverse process. Experiments on 3D shape and molecule generation tasks show significant improvements over existing conditional diffusion models.

Self-supervised pre-training strategies have recently shown impressive results for training general-purpose feature extraction backbones in computer vision. In combination with the Vision Transformer architecture, the DINO self-distillation technique has interesting emerging properties, such as unsupervised clustering in the latent space and semantic correspondences of the produced features without using explicit human-annotated labels. The STEGO method for unsupervised semantic segmentation contrastively distills feature correspondences of a DINO-pre-trained Vision Transformer and recently set a new state of the art. However, the detailed workings of STEGO have yet to be disentangled, preventing its usage in safety-critical applications. This paper provides a deeper understanding of the STEGO architecture and training strategy by conducting studies that uncover the working mechanisms behind STEGO, reproduce and extend its experimental validation, and investigate the ability of STEGO to transfer to different datasets. Results demonstrate that the STEGO architecture can be interpreted as a semantics-preserving dimensionality reduction technique.

Classical paradigms for distributed learning, such as federated or decentralized gradient descent, employ consensus mechanisms to enforce homogeneity among agents. While these strategies have proven effective in i.i.d. scenarios, they can result in significant performance degradation when agents follow heterogeneous objectives or data. Distributed strategies for multitask learning, on the other hand, induce relationships between agents in a more nuanced manner, and encourage collaboration without enforcing consensus. We develop a generalization of the exact diffusion algorithm for subspace constrained multitask learning over networks, and derive an accurate expression for its mean-squared deviation when utilizing noisy gradient approximations. We verify numerically the accuracy of the predicted performance expressions, as well as the improved performance of the proposed approach over alternatives based on approximate projections.

Humans perceive and interact with hundreds of objects every day. In doing so, they need to employ mental models of these objects and often exploit symmetries in the object's shape and appearance in order to learn generalizable and transferable skills. Active inference is a first principles approach to understanding and modeling sentient agents. It states that agents entertain a generative model of their environment, and learn and act by minimizing an upper bound on their surprisal, i.e. their Free Energy. The Free Energy decomposes into an accuracy and complexity term, meaning that agents favor the least complex model, that can accurately explain their sensory observations. In this paper, we investigate how inherent symmetries of particular objects also emerge as symmetries in the latent state space of the generative model learnt under deep active inference. In particular, we focus on object-centric representations, which are trained from pixels to predict novel object views as the agent moves its viewpoint. First, we investigate the relation between model complexity and symmetry exploitation in the state space. Second, we do a principal component analysis to demonstrate how the model encodes the principal axis of symmetry of the object in the latent space. Finally, we also demonstrate how more symmetrical representations can be exploited for better generalization in the context of manipulation.

We propose to integrate weapon system features (such as weapon system manufacturer, deployment time and location, storage time and location, etc.) into a parameterized Cox-Weibull [1] reliability model via a neural network, like DeepSurv [2], to improve predictive maintenance. In parallel, we develop an alternative Bayesian model by parameterizing the Weibull parameters with a neural network and employing dropout methods such as Monte-Carlo (MC)-dropout for comparative purposes. Due to data collection procedures in weapon system testing we employ a novel interval-censored log-likelihood which incorporates Monte-Carlo Markov Chain (MCMC) [3] sampling of the Weibull parameters during gradient descent optimization. We compare classification metrics such as receiver operator curve (ROC) area under the curve (AUC), precision-recall (PR) AUC, and F scores to show our model generally outperforms traditional powerful models such as XGBoost and the current standard conditional Weibull probability density estimation model.

There are synergies of research interests and industrial efforts in modeling fairness and correcting algorithmic bias in machine learning. In this paper, we present a scalable algorithm for spectral clustering (SC) with group fairness constraints. Group fairness is also known as statistical parity where in each cluster, each protected group is represented with the same proportion as in the entirety. While FairSC algorithm (Kleindessner et al., 2019) is able to find the fairer clustering, it is compromised by high costs due to the kernels of computing nullspaces and the square roots of dense matrices explicitly. We present a new formulation of underlying spectral computation by incorporating nullspace projection and Hotelling's deflation such that the resulting algorithm, called s-FairSC, only involves the sparse matrix-vector products and is able to fully exploit the sparsity of the fair SC model. The experimental results on the modified stochastic block model demonstrate that s-FairSC is comparable with FairSC in recovering fair clustering. Meanwhile, it is sped up by a factor of 12 for moderate model sizes. s-FairSC is further demonstrated to be scalable in the sense that the computational costs of s-FairSC only increase marginally compared to the SC without fairness constraints.

Non-Line-of-Sight (NLoS) propagation condition is a crucial factor affecting the precision of the localization in the Ultra-Wideband (UWB) Indoor Positioning System (IPS). Numerous supervised Machine Learning (ML) approaches have been applied for NLoS identification to improve the accuracy of the IPS. However, it is difficult for existing ML approaches to maintain a high classification accuracy when the database contains a small number of NLoS signals and a large number of Line-of-Sight (LoS) signals. The inaccurate localization of the target node caused by this small number of NLoS signals can still be problematic. To solve this issue, we propose feature-based Gaussian Distribution (GD) and Generalized Gaussian Distribution (GGD) NLoS detection algorithms. By employing our detection algorithm for the imbalanced dataset, a classification accuracy of $96.7\%$ and $98.0\%$ can be achieved. We also compared the proposed algorithm with the existing cutting-edge such as Support-Vector-Machine (SVM), Decision Tree (DT), Naive Bayes (NB), and Neural Network (NN), which can achieve an accuracy of $92.6\%$, $92.8\%$, $93.2\%$, and $95.5\%$, respectively. The results demonstrate that the GGD algorithm can achieve high classification accuracy with the imbalanced dataset. Finally, the proposed algorithm can also achieve a higher classification accuracy for different ratios of LoS and NLoS signals which proves the robustness and effectiveness of the proposed method.