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Standard regularized training procedures correspond to maximizing a posterior distribution over parameters, known as maximum a posteriori (MAP) estimation. However, model parameters are of interest only insomuch as they combine with the functional form of a model to provide a function that can make good predictions. Moreover, the most likely parameters under the parameter posterior do not generally correspond to the most likely function induced by the parameter posterior. In fact, we can re-parametrize a model such that any setting of parameters can maximize the parameter posterior. As an alternative, we investigate the benefits and drawbacks of directly estimating the most likely function implied by the model and the data. We show that this procedure leads to pathological solutions when using neural networks and prove conditions under which the procedure is well-behaved, as well as a scalable approximation. Under these conditions, we find that function-space MAP estimation can lead to flatter minima, better generalization, and improved robustness to overfitting.

We demonstrate a situation in which Large Language Models, trained to be helpful, harmless, and honest, can display misaligned behavior and strategically deceive their users about this behavior without being instructed to do so. Concretely, we deploy GPT-4 as an agent in a realistic, simulated environment, where it assumes the role of an autonomous stock trading agent. Within this environment, the model obtains an insider tip about a lucrative stock trade and acts upon it despite knowing that insider trading is disapproved of by company management. When reporting to its manager, the model consistently hides the genuine reasons behind its trading decision. We perform a brief investigation of how this behavior varies under changes to the setting, such as removing model access to a reasoning scratchpad, attempting to prevent the misaligned behavior by changing system instructions, changing the amount of pressure the model is under, varying the perceived risk of getting caught, and making other simple changes to the environment. To our knowledge, this is the first demonstration of Large Language Models trained to be helpful, harmless, and honest, strategically deceiving their users in a realistic situation without direct instructions or training for deception.

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications, including de-novo drug and molecular design. In recent years, several successful methods have emerged in the field of graph generation. However, these approaches suffer from two significant shortcomings: (1) the underlying Graph Neural Network (GNN) architectures used in these methods are often underexplored; and (2) these methods are often evaluated on only a limited number of metrics. To fill this gap, we investigate the expressiveness of GNNs under the context of the molecular graph generation task, by replacing the underlying GNNs of graph generative models with more expressive GNNs. Specifically, we analyse the performance of six GNNs on six different molecular generative objectives on the ZINC-250k dataset in two different generative frameworks: autoregressive generation models, such as GCPN and GraphAF, and one-shot generation models, such as GraphEBM. Through our extensive experiments, we demonstrate that advanced GNNs can indeed improve the performance of GCPN, GraphAF, and GraphEBM on molecular generation tasks, but GNN expressiveness is not a necessary condition for a good GNN-based generative model. Moreover, we show that GCPN and GraphAF with advanced GNNs can achieve state-of-the-art results across 17 other non-GNN-based graph generative approaches, such as variational autoencoders and Bayesian optimisation models, on the proposed molecular generative objectives (DRD2, Median1, Median2), which are important metrics for de-novo molecular design.

Despite breakthroughs in audio generation models, their capabilities are often confined to domain-specific conditions such as speech transcriptions and audio captions. However, real-world audio creation aims to generate harmonious audio containing various elements such as speech, music, and sound effects with controllable conditions, which is challenging to address using existing audio generation systems. We present WavJourney, a novel framework that leverages Large Language Models (LLMs) to connect various audio models for audio creation. WavJourney allows users to create storytelling audio content with diverse audio elements simply from textual descriptions. Specifically, given a text instruction, WavJourney first prompts LLMs to generate an audio script that serves as a structured semantic representation of audio elements. The audio script is then converted into a computer program, where each line of the program calls a task-specific audio generation model or computational operation function. The computer program is then executed to obtain a compositional and interpretable solution for audio creation. Experimental results suggest that WavJourney is capable of synthesizing realistic audio aligned with textually-described semantic, spatial and temporal conditions, achieving state-of-the-art results on text-to-audio generation benchmarks. Additionally, we introduce a new multi-genre story benchmark. Subjective evaluations demonstrate the potential of WavJourney in crafting engaging storytelling audio content from text. We further demonstrate that WavJourney can facilitate human-machine co-creation in multi-round dialogues. To foster future research, the code and synthesized audio are available at: //audio-agi.github.io/WavJourney_demopage/.

Current methods based on Neural Radiance Fields (NeRF) significantly lack the capacity to quantify uncertainty in their predictions, particularly on the unseen space including the occluded and outside scene content. This limitation hinders their extensive applications in robotics, where the reliability of model predictions has to be considered for tasks such as robotic exploration and planning in unknown environments. To address this, we propose a novel approach to estimate a 3D Uncertainty Field based on the learned incomplete scene geometry, which explicitly identifies these unseen regions. By considering the accumulated transmittance along each camera ray, our Uncertainty Field infers 2D pixel-wise uncertainty, exhibiting high values for rays directly casting towards occluded or outside the scene content. To quantify the uncertainty on the learned surface, we model a stochastic radiance field. Our experiments demonstrate that our approach is the only one that can explicitly reason about high uncertainty both on 3D unseen regions and its involved 2D rendered pixels, compared with recent methods. Furthermore, we illustrate that our designed uncertainty field is ideally suited for real-world robotics tasks, such as next-best-view selection.

The problem of best subset selection in linear regression is considered with the aim to find a fixed size subset of features that best fits the response. This is particularly challenging when the total available number of features is very large compared to the number of data samples. Existing optimal methods for solving this problem tend to be slow while fast methods tend to have low accuracy. Ideally, new methods perform best subset selection faster than existing optimal methods but with comparable accuracy, or, being more accurate than methods of comparable computational speed. Here, we propose a novel continuous optimization method that identifies a subset solution path, a small set of models of varying size, that consists of candidates for the single best subset of features, that is optimal in a specific sense in linear regression. Our method turns out to be fast, making the best subset selection possible when the number of features is well in excess of thousands. Because of the outstanding overall performance, framing the best subset selection challenge as a continuous optimization problem opens new research directions for feature extraction for a large variety of regression models.

Greenhouse gases are pivotal drivers of climate change, necessitating precise quantification and source identification to foster mitigation strategies. We introduce GeoViT, a compact vision transformer model adept in processing satellite imagery for multimodal segmentation, classification, and regression tasks targeting CO2 and NO2 emissions. Leveraging GeoViT, we attain superior accuracy in estimating power generation rates, fuel type, plume coverage for CO2, and high-resolution NO2 concentration mapping, surpassing previous state-of-the-art models while significantly reducing model size. GeoViT demonstrates the efficacy of vision transformer architectures in harnessing satellite-derived data for enhanced GHG emission insights, proving instrumental in advancing climate change monitoring and emission regulation efforts globally.

Within recent times, cybercriminals have curated a variety of organised and resolute cyber attacks within a range of cyber systems, leading to consequential ramifications to private and governmental institutions. Current security-based automation and orchestrations focus on automating fixed purpose and hard-coded solutions, which are easily surpassed by modern-day cyber attacks. Research within Automated Cyber Defence will allow the development and enabling intelligence response by autonomously defending networked systems through sequential decision-making agents. This article comprehensively elaborates the developments within Automated Cyber Defence through a requirement analysis divided into two sub-areas, namely, automated defence and attack agents and Autonomous Cyber Operation (ACO) Gyms. The requirement analysis allows the comparison of automated agents and highlights the importance of ACO Gyms for their continual development. The requirement analysis is also used to critique ACO Gyms with an overall aim to develop them for deploying automated agents within real-world networked systems. Relevant future challenges were addressed from the overall analysis to accelerate development within the area of Automated Cyber Defence.

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.

Compared with cheap addition operation, multiplication operation is of much higher computation complexity. The widely-used convolutions in deep neural networks are exactly cross-correlation to measure the similarity between input feature and convolution filters, which involves massive multiplications between float values. In this paper, we present adder networks (AdderNets) to trade these massive multiplications in deep neural networks, especially convolutional neural networks (CNNs), for much cheaper additions to reduce computation costs. In AdderNets, we take the $\ell_1$-norm distance between filters and input feature as the output response. The influence of this new similarity measure on the optimization of neural network have been thoroughly analyzed. To achieve a better performance, we develop a special back-propagation approach for AdderNets by investigating the full-precision gradient. We then propose an adaptive learning rate strategy to enhance the training procedure of AdderNets according to the magnitude of each neuron's gradient. As a result, the proposed AdderNets can achieve 74.9% Top-1 accuracy 91.7% Top-5 accuracy using ResNet-50 on the ImageNet dataset without any multiplication in convolution layer.