Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the molecular structure, including the presence or absence of functional groups.

Prototype-based meta-learning has emerged as a powerful technique for addressing few-shot learning challenges. However, estimating a deterministic prototype using a simple average function from a limited number of examples remains a fragile process. To overcome this limitation, we introduce ProtoDiff, a novel framework that leverages a task-guided diffusion model during the meta-training phase to gradually generate prototypes, thereby providing efficient class representations. Specifically, a set of prototypes is optimized to achieve per-task prototype overfitting, enabling accurately obtaining the overfitted prototypes for individual tasks. Furthermore, we introduce a task-guided diffusion process within the prototype space, enabling the meta-learning of a generative process that transitions from a vanilla prototype to an overfitted prototype. ProtoDiff gradually generates taskspecific prototypes from random noise during the meta-test stage, conditioned on the limited samples available for the new task. Furthermore, to expedite training and enhance ProtoDiff's performance, we propose the utilization of residual prototype learning, which leverages the sparsity of the residual prototype. We conduct thorough ablation studies to demonstrate its ability to accurately capture the underlying prototype distribution and enhance generalization.

Unlike most reinforcement learning agents which require an unrealistic amount of environment interactions to learn a new behaviour, humans excel at learning quickly by merely observing and imitating others. This ability highly depends on the fact that humans have a model of their own embodiment that allows them to infer the most likely actions that led to the observed behaviour. In this paper, we propose Action Inference by Maximising Evidence (AIME) to replicate this behaviour using world models. AIME consists of two distinct phases. In the first phase, the agent learns a world model from its past experience to understand its own body by maximising the evidence lower bound (ELBO).

We study the problem of transfer learning and fine-tuning in linear models for both regression and binary classification. In particular, we consider the use of stochastic gradient descent (SGD) on a linear model initialized with pretrained weights and using a small training data set from the target distribution. In the asymptotic regime of large models, we provide an exact and rigorous analysis and relate the generalization errors (in regression) and classification errors (in binary classification) for the pretrained and fine-tuned models. In particular, we give conditions under which the fine-tuned model outperforms the pretrained one. An important aspect of our work is that all the results are "universal", in the sense that they depend only on the first and second order statistics of the target distribution. They thus extend well beyond the standard Gaussian assumptions commonly made in the literature. Furthermore, our universality results extend beyond standard SGD training to the test error of a classification task trained using ridge regression.

Training generative models with differential privacy (DP) typically involves injecting noise into gradient updates or adapting the discriminator's training procedure.

Recommender systems serve the dual purpose of presenting relevant content to users and helping content creators reach their target audience. The dual nature of these systems naturally influences both users and creators: users' preferences are affected by the items they are recommended, while creators may be incentivized to alter their content to attract more users. We define a model, called user-creator feature dynamics, to capture the dual influence of recommender systems. We prove that a recommender system with dual influence is guaranteed to polarize, causing diversity loss in the system. We then investigate, both theoretically and empirically, approaches for mitigating polarization and promoting diversity in recommender systems. Unexpectedly, we find that common diversity-promoting approaches do not work in the presence of dual influence, while relevancy-optimizing methods like top-k truncation can prevent polarization and improve diversity of the system.

Safe reinforcement learning (RL) requires the agent to finish a given task while obeying specific constraints. Giving constraints in natural language form has great potential for practical scenarios due to its flexible transfer capability and accessibility. Previous safe RL methods with natural language constraints typically need to design cost functions manually for each constraint, which requires domain expertise and lacks flexibility. In this paper, we harness the dual role of text in this task, using it not only to provide constraint but also as a training signal. We introduce the Trajectory-level Textual Constraints Translator (TTCT) to replace the manually designed cost function. Our empirical results demonstrate that TTCT effectively comprehends textual constraint and trajectory, and the policies trained by TTCT can achieve a lower violation rate than the standard cost function. Extra studies are conducted to demonstrate that the TTCT has zero-shot transfer capability to adapt to constraint-shift environments.

Recent advancements in 3D perception have led to a proliferation of network architectures, particularly those involving multi-modal fusion algorithms. While these fusion algorithms improve accuracy, their complexity often impedes real-time performance. This paper introduces VeXKD, an effective and Versatile framework that integrates Cross-Modal Fusion with Knowledge Distillation. VeXKD applies knowledge distillation exclusively to the Bird's Eye View (BEV) feature maps, enabling the transfer of cross-modal insights to single-modal students without additional inference time overhead. It avoids volatile components that can vary across various 3D perception tasks and student modalities, thus improving versatility. The framework adopts a modality-general cross-modal fusion module to bridge the modality gap between the multi-modal teachers and single-modal students. Furthermore, leveraging byproducts generated during fusion, our BEV query guided mask generation network identifies crucial spatial locations across different BEV feature maps from different tasks and semantic levels in a datadriven manner, significantly enhancing the effectiveness of knowledge distillation. Extensive experiments on the nuScenes dataset demonstrate notable improvements, with up to 6.9%/4.2%