As the importance of eco-friendly transportation increases, providing an efficient approach for marine vessel operation is essential. Methods for status monitoring with consideration to the weather condition and forecasting with the use of in-service data from ships requires accurate and complete models for predicting the energy efficiency of a ship. The models need to effectively process all the operational data in real-time. This paper presents models that can predict fuel consumption using in-service data collected from a passenger ship. Statistical and domain-knowledge methods were used to select the proper input variables for the models. These methods prevent over-fitting, missing data, and multicollinearity while providing practical applicability. Prediction models that were investigated include multiple linear regression (MLR), decision tree approach (DT), an artificial neural network (ANN), and ensemble methods. The best predictive performance was from a model developed using the XGboost technique which is a boosting ensemble approach. \rvv{Our code is available on GitHub at \url{https://github.com/pagand/model_optimze_vessel/tree/OE} for future research.

Modeling groundwater levels continuously across California's Central Valley (CV) hydrological system is challenging due to low-quality well data which is sparsely and noisily sampled across time and space. A novel machine learning method is proposed for modeling groundwater levels by learning from a 3D lithological texture model of the CV aquifer. The proposed formulation performs multivariate regression by combining Gaussian processes (GP) and deep neural networks (DNN). Proposed hierarchical modeling approach constitutes training the DNN to learn a lithologically informed latent space where non-parametric regression with GP is performed. The methodology is applied for modeling groundwater levels across the CV during 2015 - 2020. We demonstrate the efficacy of GP-DNN regression for modeling non-stationary features in the well data with fast and reliable uncertainty quantification. Our results indicate that the 2017 and 2019 wet years in California were largely ineffective in replenishing the groundwater loss caused during previous drought years.

Recent progress in natural language processing (NLP) owes much to remarkable advances in large language models (LLMs). Nevertheless, LLMs frequently "hallucinate," resulting in non-factual outputs. Our carefully designed human evaluation substantiates the serious hallucination issue, revealing that even GPT-3.5 produces factual outputs less than 25% of the time. This underscores the importance of fact verifiers in order to measure and incentivize progress. Our systematic investigation affirms that LLMs can be repurposed as effective fact verifiers with strong correlations with human judgments, at least in the Wikipedia domain. Surprisingly, FLAN-T5-11B, the least factual generator in our study, performs the best as a fact verifier, even outperforming more capable LLMs like GPT3.5 and ChatGPT. Delving deeper, we analyze the reliance of these LLMs on high-quality evidence, as well as their deficiencies in robustness and generalization ability. Our study presents insights for developing trustworthy generation models.

Trajectory sampling in the Frenet(road-aligned) frame, is one of the most popular methods for motion planning of autonomous vehicles. It operates by sampling a set of behavioural inputs, such as lane offset and forward speed, before solving a trajectory optimization problem conditioned on the sampled inputs. The sampling is handcrafted based on simple heuristics, does not adapt to driving scenarios, and is oblivious to the capabilities of downstream trajectory planners. In this paper, we propose an end-to-end learning of behavioural input distribution from expert demonstrations or in a self-supervised manner. Our core novelty lies in embedding a custom differentiable trajectory optimizer as a layer in neural networks, allowing us to update behavioural inputs by considering the optimizer's feedback. Moreover, our end-to-end approach also ensures that the learned behavioural inputs aid the convergence of the optimizer. We improve the state-of-the-art in the following aspects. First, we show that learned behavioural inputs substantially decrease collision rate while improving driving efficiency over handcrafted approaches. Second, our approach outperforms model predictive control methods based on sampling-based optimization.

Many complex natural phenomena--such as organ growth, the structure of materials or the patterns of neural activity in our brains--are emergent [1]. These are typically characterised by many simple interacting components that collectively exhibit behaviour that is far richer than that of the individual parts, and cannot easily be predicted from them. Emergence is especially prevalent in complex systems of biological nature across a wide range of scales - from gene expression dictating cell fates, interacting cells forming structures during morphogenesis, synaptic connections in the brain, or the interactions of organisms in ecology. Cellular Automata (CA) provide simple models of spatio-temporal emergent behaviour, where a discrete lattice of'cells' are equipped with an internal state and a rule that updates each cell state depending on itself and its local neighbours. The classic Game of Life [2] is a famous example, where cell states and the update rule utilise simple Boolean logic, but the emergent complexity has fascinated and inspired much research [3, 4]. CA are a natural modelling framework of a wide range of biological processes such as: skin patterning [5, 6], limb polydactyly [7], chimerism [8], cancer [9] and landscape ecology [10]. In these cases the CA rules are constructed with expert knowledge of likely mechanisms, however in general the space of possible CA rules is vast, and there is a non-uniqueness by which several rules can result in qualitatively similar emergent behaviours. As such the inverse problem of inferring mechanistic interactions (CA rules) that might generate a given observed emergent behaviour is much more challenging than the forward problem.

In Reinforcement Learning (RL), agents aim at maximizing cumulative rewards in a given environment. During the learning process, RL agents face the dilemma of exploitation and exploration: leveraging existing knowledge to acquire rewards or seeking potentially higher ones. Using uncertainty as a guiding principle provides an active and effective approach to solving this dilemma and ensemble-based methods are one of the prominent avenues for quantifying uncertainty. Nevertheless, conventional ensemble-based uncertainty estimation lacks an explicit prior, deviating from Bayesian principles. Besides, this method requires diversity among members to generate less biased uncertainty estimation results. To address the above problems, previous research has incorporated random functions as priors. Building upon these foundational efforts, our work introduces an innovative approach with delicately designed prior NNs, which can incorporate maximal diversity in the initial value functions of RL. Our method has demonstrated superior performance compared with the random prior approaches in solving classic control problems and general exploration tasks, significantly improving sample efficiency.

Fine-tuning a pre-trained deep neural network has become a successful paradigm in various machine learning tasks. However, such a paradigm becomes particularly challenging with tabular data when there are discrepancies between the feature sets of pre-trained models and the target tasks. In this paper, we propose TabToken, a method aims at enhancing the quality of feature tokens (i.e., embeddings of tabular features). TabToken allows for the utilization of pre-trained models when the upstream and downstream tasks share overlapping features, facilitating model fine-tuning even with limited training examples. Specifically, we introduce a contrastive objective that regularizes the tokens, capturing the semantics within and across features. During the pre-training stage, the tokens are learned jointly with top-layer deep models such as transformer. In the downstream task, tokens of the shared features are kept fixed while TabToken efficiently fine-tunes the remaining parts of the model. TabToken not only enables knowledge transfer from a pre-trained model to tasks with heterogeneous features, but also enhances the discriminative ability of deep tabular models in standard classification and regression tasks.

We present the first simulation-based inference (SBI) of cosmological parameters from field-level analysis of galaxy clustering. Standard galaxy clustering analyses rely on analyzing summary statistics, such as the power spectrum, $P_\ell$, with analytic models based on perturbation theory. Consequently, they do not fully exploit the non-linear and non-Gaussian features of the galaxy distribution. To address these limitations, we use the {\sc SimBIG} forward modelling framework to perform SBI using normalizing flows. We apply SimBIG to a subset of the BOSS CMASS galaxy sample using a convolutional neural network with stochastic weight averaging to perform massive data compression of the galaxy field. We infer constraints on $\Omega_m = 0.267^{+0.033}_{-0.029}$ and $\sigma_8=0.762^{+0.036}_{-0.035}$. While our constraints on $\Omega_m$ are in-line with standard $P_\ell$ analyses, those on $\sigma_8$ are $2.65\times$ tighter. Our analysis also provides constraints on the Hubble constant $H_0=64.5 \pm 3.8 \ {\rm km / s / Mpc}$ from galaxy clustering alone. This higher constraining power comes from additional non-Gaussian cosmological information, inaccessible with $P_\ell$. We demonstrate the robustness of our analysis by showcasing our ability to infer unbiased cosmological constraints from a series of test simulations that are constructed using different forward models than the one used in our training dataset. This work not only presents competitive cosmological constraints but also introduces novel methods for leveraging additional cosmological information in upcoming galaxy surveys like DESI, PFS, and Euclid.

This chapter presents a comparative study of the three portfolio optimization methods, MVP, HRP, and HERC, on the Indian stock market, particularly focusing on the stocks chosen from 15 sectors listed on the National Stock Exchange of India. The top stocks of each cluster are identified based on their free-float market capitalization from the report of the NSE published on July 1, 2022 (NSE Website). For each sector, three portfolios are designed on stock prices from July 1, 2019, to June 30, 2022, following three portfolio optimization approaches. The portfolios are tested over the period from July 1, 2022, to June 30, 2023. For the evaluation of the performances of the portfolios, three metrics are used. These three metrics are cumulative returns, annual volatilities, and Sharpe ratios. For each sector, the portfolios that yield the highest cumulative return, the lowest volatility, and the maximum Sharpe Ratio over the training and the test periods are identified.

Neural networks have become a powerful tool as surrogate models to provide numerical solutions for scientific problems with increased computational efficiency. This efficiency can be advantageous for numerically challenging problems where time to solution is important or when evaluation of many similar analysis scenarios is required. One particular area of scientific interest is the setting of inverse problems, where one knows the forward dynamics of a system are described by a partial differential equation and the task is to infer properties of the system given (potentially noisy) observations of these dynamics. We consider the inverse problem of inferring the location of a wave source on a square domain, given a noisy solution to the 2-D acoustic wave equation. Under the assumption of Gaussian noise, a likelihood function for source location can be formulated, which requires one forward simulation of the system per evaluation. Using a standard neural network as a surrogate model makes it computationally feasible to evaluate this likelihood several times, and so Markov Chain Monte Carlo methods can be used to evaluate the posterior distribution of the source location. We demonstrate that this method can accurately infer source-locations from noisy data.