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The `Jacobi prior' is an alternative Bayesian method for predictive models. It performs better than well-known methods such as Lasso, Ridge, Elastic Net, and MCMC-based Horse-Shoe Prior, particularly in terms of prediction accuracy and run-time. This method is implemented for Gaussian process classification, adeptly handling a nonlinear decision boundary. The Jacobi prior demonstrates its capability to manage partitioned data across global servers, making it highly useful in distributed computing environments. Additionally, we show that the Jacobi prior is more than a hundred times faster than these methods while maintaining similar predictive accuracy. As the method is both fast and accurate, it is advantageous for organisations looking to reduce their environmental impact and meet ESG standards. To demonstrate the effectiveness of the Jacobi prior, we conducted a detailed simulation study with four experiments focusing on statistical consistency, accuracy, and speed. We also present two empirical studies: the first evaluates credit risk by analysing default probability using data from the U.S. Small Business Administration (SBA), and the second uses the Jacobi prior for classifying stars, quasars, and galaxies in a three-class problem using multinomial logit regression on data from the Sloan Digital Sky Survey. Different filters were used as features in this study. All codes and datasets for this paper are available in the following GitHub repository : //github.com/sourish-cmi/Jacobi-Prior/

Thermodynamic integration (TI) offers a rigorous method for estimating free-energy differences by integrating over a sequence of interpolating conformational ensembles. However, TI calculations are computationally expensive and typically limited to coupling a small number of degrees of freedom due to the need to sample numerous intermediate ensembles with sufficient conformational-space overlap. In this work, we propose to perform TI along an alchemical pathway represented by a trainable neural network, which we term Neural TI. Critically, we parametrize a time-dependent Hamiltonian interpolating between the interacting and non-interacting systems, and optimize its gradient using a denoising-diffusion objective. The ability of the resulting energy-based diffusion model to sample all intermediate ensembles, allows us to perform TI from a single reference calculation. We apply our method to Lennard-Jones fluids, where we report accurate calculations of the excess chemical potential, demonstrating that Neural TI is capable of coupling hundreds of degrees of freedom at once.

We propose FaceCom, a method for 3D facial shape completion, which delivers high-fidelity results for incomplete facial inputs of arbitrary forms. Unlike end-to-end shape completion methods based on point clouds or voxels, our approach relies on a mesh-based generative network that is easy to optimize, enabling it to handle shape completion for irregular facial scans. We first train a shape generator on a mixed 3D facial dataset containing 2405 identities. Based on the incomplete facial input, we fit complete faces using an optimization approach under image inpainting guidance. The completion results are refined through a post-processing step. FaceCom demonstrates the ability to effectively and naturally complete facial scan data with varying missing regions and degrees of missing areas. Our method can be used in medical prosthetic fabrication and the registration of deficient scanning data. Our experimental results demonstrate that FaceCom achieves exceptional performance in fitting and shape completion tasks. The code is available at //github.com/dragonylee/FaceCom.git.

We present a new technique to enhance the robustness of imitation learning methods by generating corrective data to account for compounding errors and disturbances. While existing methods rely on interactive expert labeling, additional offline datasets, or domain-specific invariances, our approach requires minimal additional assumptions beyond access to expert data. The key insight is to leverage local continuity in the environment dynamics to generate corrective labels. Our method first constructs a dynamics model from the expert demonstration, encouraging local Lipschitz continuity in the learned model. In locally continuous regions, this model allows us to generate corrective labels within the neighborhood of the demonstrations but beyond the actual set of states and actions in the dataset. Training on this augmented data enhances the agent's ability to recover from perturbations and deal with compounding errors. We demonstrate the effectiveness of our generated labels through experiments in a variety of robotics domains in simulation that have distinct forms of continuity and discontinuity, including classic control problems, drone flying, navigation with high-dimensional sensor observations, legged locomotion, and tabletop manipulation.

Large Language Models (LLMs) have highlighted the necessity of effective unlearning mechanisms to comply with data regulations and ethical AI practices. LLM unlearning aims at removing undesired data influences and associated model capabilities without compromising utility out of the scope of unlearning. While interest in studying LLM unlearning is growing,the impact of the optimizer choice for LLM unlearning remains under-explored. In this work, we shed light on the significance of optimizer selection in LLM unlearning for the first time, establishing a clear connection between {second-order optimization} and influence unlearning (a classical approach using influence functions to update the model for data influence removal). This insight propels us to develop a second-order unlearning framework, termed SOUL, built upon the second-order clipped stochastic optimization (Sophia)-based LLM training method. SOUL extends the static, one-shot model update using influence unlearning to a dynamic, iterative unlearning process. Our extensive experiments show that SOUL consistently outperforms conventional first-order methods across various unlearning tasks, models, and metrics, suggesting the promise of second-order optimization in providing a scalable and easily implementable solution for LLM unlearning.

Legged locomotion has recently achieved remarkable success with the progress of machine learning techniques, especially deep reinforcement learning (RL). Controllers employing neural networks have demonstrated empirical and qualitative robustness against real-world uncertainties, including sensor noise and external perturbations. However, formally investigating the vulnerabilities of these locomotion controllers remains a challenge. This difficulty arises from the requirement to pinpoint vulnerabilities across a long-tailed distribution within a high-dimensional, temporally sequential space. As a first step towards quantitative verification, we propose a computational method that leverages sequential adversarial attacks to identify weaknesses in learned locomotion controllers. Our research demonstrates that, even state-of-the-art robust controllers can fail significantly under well-designed, low-magnitude adversarial sequence. Through experiments in simulation and on the real robot, we validate our approach's effectiveness, and we illustrate how the results it generates can be used to robustify the original policy and offer valuable insights into the safety of these black-box policies. Project page: //fanshi14.github.io/me/rss24.html

Expressive speech-to-speech translation (S2ST) is a key research topic in seamless communication, which focuses on the preservation of semantics and speaker vocal style in translated speech. Early works synthesized speaker style aligned speech in order to directly learn the mapping from speech to target speech spectrogram. Without reliance on style aligned data, recent studies leverage the advances of language modeling (LM) and build cascaded LMs on semantic and acoustic tokens. This work proposes SeamlessExpressiveLM, a single speech language model for expressive S2ST. We decompose the complex source-to-target speech mapping into intermediate generation steps with chain-of-thought prompting. The model is first guided to translate target semantic content and then transfer the speaker style to multi-stream acoustic units. Evaluated on Spanish-to-English and Hungarian-to-English translations, SeamlessExpressiveLM outperforms cascaded LMs in both semantic quality and style transfer, meanwhile achieving better parameter efficiency.

Generative commonsense reasoning which aims to empower machines to generate sentences with the capacity of reasoning over a set of concepts is a critical bottleneck for text generation. Even the state-of-the-art pre-trained language generation models struggle at this task and often produce implausible and anomalous sentences. One reason is that they rarely consider incorporating the knowledge graph which can provide rich relational information among the commonsense concepts. To promote the ability of commonsense reasoning for text generation, we propose a novel knowledge graph augmented pre-trained language generation model KG-BART, which encompasses the complex relations of concepts through the knowledge graph and produces more logical and natural sentences as output. Moreover, KG-BART can leverage the graph attention to aggregate the rich concept semantics that enhances the model generalization on unseen concept sets. Experiments on benchmark CommonGen dataset verify the effectiveness of our proposed approach by comparing with several strong pre-trained language generation models, particularly KG-BART outperforms BART by 5.80, 4.60, in terms of BLEU-3, 4. Moreover, we also show that the generated context by our model can work as background scenarios to benefit downstream commonsense QA tasks.

Deep reinforcement learning has recently shown many impressive successes. However, one major obstacle towards applying such methods to real-world problems is their lack of data-efficiency. To this end, we propose the Bottleneck Simulator: a model-based reinforcement learning method which combines a learned, factorized transition model of the environment with rollout simulations to learn an effective policy from few examples. The learned transition model employs an abstract, discrete (bottleneck) state, which increases sample efficiency by reducing the number of model parameters and by exploiting structural properties of the environment. We provide a mathematical analysis of the Bottleneck Simulator in terms of fixed points of the learned policy, which reveals how performance is affected by four distinct sources of error: an error related to the abstract space structure, an error related to the transition model estimation variance, an error related to the transition model estimation bias, and an error related to the transition model class bias. Finally, we evaluate the Bottleneck Simulator on two natural language processing tasks: a text adventure game and a real-world, complex dialogue response selection task. On both tasks, the Bottleneck Simulator yields excellent performance beating competing approaches.

Most existing works in visual question answering (VQA) are dedicated to improving the accuracy of predicted answers, while disregarding the explanations. We argue that the explanation for an answer is of the same or even more importance compared with the answer itself, since it makes the question and answering process more understandable and traceable. To this end, we propose a new task of VQA-E (VQA with Explanation), where the computational models are required to generate an explanation with the predicted answer. We first construct a new dataset, and then frame the VQA-E problem in a multi-task learning architecture. Our VQA-E dataset is automatically derived from the VQA v2 dataset by intelligently exploiting the available captions. We have conducted a user study to validate the quality of explanations synthesized by our method. We quantitatively show that the additional supervision from explanations can not only produce insightful textual sentences to justify the answers, but also improve the performance of answer prediction. Our model outperforms the state-of-the-art methods by a clear margin on the VQA v2 dataset.