Multivariate anomaly detection finds its importance in diverse applications. Despite the existence of many detectors to solve this problem, one cannot simply define why an obtained anomaly inferred by the detector is anomalous. This reasoning is required for network operators to understand the root cause of the anomaly and the remedial action that should be taken to counteract its occurrence. Existing solutions in explainable AI may give cues to features that influence an anomaly, but they do not formulate generalizable rules that can be assessed by a domain expert. Furthermore, not all outliers are anomalous in a business sense. There is an unfulfilled need for a system that can interpret anomalies predicted by a multivariate anomaly detector and map these patterns to actionable rules. This paper aims to fulfill this need by proposing a semi-autonomous anomaly rule miner. The proposed method is applicable to both discrete and time series data and is tailored for radio access network (RAN) anomaly detection use cases. The proposed method is demonstrated in this paper with time series RAN data.

The rapid discovery of new chemical compounds is essential for advancing global health and developing treatments. While generative models show promise in creating novel molecules, challenges remain in ensuring the real-world applicability of these molecules and finding such molecules efficiently. To address this, we introduce Conditional Latent Space Molecular Scaffold Optimization (CLaSMO), which combines a Conditional Variational Autoencoder (CVAE) with Latent Space Bayesian Optimization (LSBO) to modify molecules strategically while maintaining similarity to the original input. Our LSBO setting improves the sample-efficiency of our optimization, and our modification approach helps us to obtain molecules with higher chances of real-world applicability. CLaSMO explores substructures of molecules in a sample-efficient manner by performing BO in the latent space of a CVAE conditioned on the atomic environment of the molecule to be optimized. Our experiments demonstrate that CLaSMO efficiently enhances target properties with minimal substructure modifications, achieving state-of-the-art results with a smaller model and dataset compared to existing methods. We also provide an open-source web application that enables chemical experts to apply CLaSMO in a Human-in-the-Loop setting.

LLMs have shown remarkable capabilities, but precisely controlling their response behavior remains challenging. Existing activation steering methods alter LLM behavior indiscriminately, limiting their practical applicability in settings where selective responses are essential, such as content moderation or domain-specific assistants. In this paper, we propose Conditional Activation Steering (CAST), which analyzes LLM activation patterns during inference to selectively apply or withhold activation steering based on the input context. Our method is based on the observation that different categories of prompts activate distinct patterns in the model's hidden states. Using CAST, one can systematically control LLM behavior with rules like "if input is about hate speech or adult content, then refuse" or "if input is not about legal advice, then refuse." This allows for selective modification of responses to specific content while maintaining normal responses to other content, all without requiring weight optimization. We release an open-source implementation of our framework.

Creating realistic or stylized facial and lip sync animation is a tedious task. It requires lot of time and skills to sync the lips with audio and convey the right emotion to the character's face. To allow animators to spend more time on the artistic and creative part of the animation, we present Audio2Rig: a new deep learning based tool leveraging previously animated sequences of a show, to generate facial and lip sync rig animation from an audio file. Based in Maya, it learns from any production rig without any adjustment and generates high quality and stylized animations which mimic the style of the show. Audio2Rig fits in the animator workflow: since it generates keys on the rig controllers, the animation can be easily retaken. The method is based on 3 neural network modules which can learn an arbitrary number of controllers. Hence, different configurations can be created for specific parts of the face (such as the tongue, lips or eyes). With Audio2Rig, animators can also pick different emotions and adjust their intensities to experiment or customize the output, and have high level controls on the keyframes setting. Our method shows excellent results, generating fine animation details while respecting the show style. Finally, as the training relies on the studio data and is done internally, it ensures data privacy and prevents from copyright infringement.

Panoramic radiography is a widely used imaging modality in dental practice and research. However, it only provides flattened 2D images, which limits the detailed assessment of dental structures. In this paper, we propose Occudent, a framework for 3D teeth reconstruction from panoramic radiographs using neural implicit functions, which, to the best of our knowledge, is the first work to do so. For a given point in 3D space, the implicit function estimates whether the point is occupied by a tooth, and thus implicitly determines the boundaries of 3D tooth shapes. Firstly, Occudent applies multi-label segmentation to the input panoramic radiograph. Next, tooth shape embeddings as well as tooth class embeddings are generated from the segmentation outputs, which are fed to the reconstruction network. A novel module called Conditional eXcitation (CX) is proposed in order to effectively incorporate the combined shape and class embeddings into the implicit function. The performance of Occudent is evaluated using both quantitative and qualitative measures. Importantly, Occudent is trained and validated with actual panoramic radiographs as input, distinct from recent works which used synthesized images. Experiments demonstrate the superiority of Occudent over state-of-the-art methods.

A graph is a very common and powerful data structure used for modeling communication and social networks. Models that generate graphs with arbitrary features are important basic technologies in repeated simulations of networks and prediction of topology changes. Although existing generative models for graphs are useful for providing graphs similar to real-world graphs, graph generation models with tunable features have been less explored in the field. Previously, we have proposed GraphTune, a generative model for graphs that continuously tune specific graph features of generated graphs while maintaining most of the features of a given graph dataset. However, the tuning accuracy of graph features in GraphTune has not been sufficient for practical applications. In this paper, we propose a method to improve the accuracy of GraphTune by adding a new mechanism to feed back errors of graph features of generated graphs and by training them alternately and independently. Experiments on a real-world graph dataset showed that the features in the generated graphs are accurately tuned compared with conventional models.

Deep generative models have recently emerged as a promising de novo drug design method. In this respect, deep generative conditional variational autoencoder (CVAE) models are a powerful approach for generating novel molecules with desired drug-like properties. However, molecular graph-based models with disentanglement and multivariate explicit latent conditioning have not been fully elucidated. To address this, we proposed a molecular-graph $\beta$-CVAE model for de novo drug design. Here, we empirically tuned the value of disentanglement and assessed its ability to generate molecules with optimised univariate- or-multivariate properties. In particular, we optimised the octanol-water partition coefficient (ClogP), molar refractivity (CMR), quantitative estimate of drug-likeness (QED), and synthetic accessibility score (SAS). Results suggest that a lower $\beta$ value increases the uniqueness of generated molecules (exploration). Univariate optimisation results showed our model generated molecular property averages of ClogP = 41.07% $\pm$ 0.01% and CMR 66.76% $\pm$ 0.01% by the Ghose filter. Multivariate property optimisation results showed that our model generated an average of 30.07% $\pm$ 0.01% molecules for both desired properties. Furthermore, our model improved the QED and SAS (exploitation) of molecules generated. Together, these results suggest that the $\beta$-CVAE could balance exploration and exploitation through disentanglement and is a promising model for de novo drug design, thus providing a basis for future studies.

Generative models for graphs have been actively studied for decades, and they have a wide range of applications. Recently, learning-based graph generation that reproduces real-world graphs has been attracting the attention of many researchers. Although several generative models that utilize modern machine learning technologies have been proposed, conditional generation of general graphs has been less explored in the field. In this paper, we propose a generative model that allows us to tune the value of a global-level structural feature as a condition. Our model, called GraphTune, makes it possible to tune the value of any structural feature of generated graphs using Long Short Term Memory (LSTM) and a Conditional Variational AutoEncoder (CVAE). We performed comparative evaluations of GraphTune and conventional models on a real graph dataset. The evaluations show that GraphTune makes it possible to more clearly tune the value of a global-level structural feature better than conventional models.