Biogenic Volatile Organic Compounds (BVOCs) play a critical role in biosphere-atmosphere interactions, being a key factor in the physical and chemical properties of the atmosphere and climate. Acquiring large and fine-grained BVOC emission maps is expensive and time-consuming, so most available BVOC data are obtained on a loose and sparse sampling grid or on small regions. However, high-resolution BVOC data are desirable in many applications, such as air quality, atmospheric chemistry, and climate monitoring. In this work, we investigate the possibility of enhancing BVOC acquisitions, further explaining the relationships between the environment and these compounds. We do so by comparing the performances of several state-of-the-art neural networks proposed for image Super-Resolution (SR), adapting them to overcome the challenges posed by the large dynamic range of the emission and reduce the impact of outliers in the prediction. Moreover, we also consider realistic scenarios, considering both temporal and geographical constraints. Finally, we present possible future developments regarding SR generalization, considering the scale-invariance property and super-resolving emissions from unseen compounds.
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We show that the essential properties of entropy (monotonicity, additivity and subadditivity) are consequences of entropy being a monoidal natural transformation from the under category functor $-/\mathsf{LProb}_{\rho}$ (where $\mathsf{LProb}_{\rho}$ is category of $\ell_{\rho}$ discrete probability spaces) to $\Delta_{\mathbb{R}}$. Moreover, the Shannon entropy can be characterized as the universal monoidal natural transformation from $-/\mathsf{LProb}_{\rho}$ to the category of "strongly regularly ordered" vector spaces (a reflective subcategory of the lax-slice 2-category over $\mathsf{MonCat}_{\ell}$ in the 2-category of monoidal categories), providing a succinct characterization of Shannon entropy as a reflection arrow. We can likewise define entropy for every category with a monoidal structure on its under categories (e.g. the category of finite abelian groups, the category of finite inhabited sets, the category of finite dimensional vector spaces, and the augmented simplex category) via the reflection arrow to the reflective subcategory of strongly regularly ordered vector spaces. This implies that all these entropies over different categories are components of a single natural transformation (the unit of the idempotent monad), allowing us to connect these entropies in a natural manner. We also provide a universal characterization of the conditional Shannon entropy based on the chain rule which, unlike the characterization of information loss by Baez, Fritz and Leinster, does not require any continuity assumption.
The Skolem problem is a long-standing open problem in linear dynamical systems: can a linear recurrence sequence (LRS) ever reach 0 from a given initial configuration? Similarly, the positivity problem asks whether the LRS stays positive from an initial configuration. Deciding Skolem (or positivity) has been open for half a century: the best known decidability results are for LRS with special properties (e.g., low order recurrences). But these problems are easier for "uninitialized" variants, where the initial configuration is not fixed but can vary arbitrarily: checking if there is an initial configuration from which the LRS stays positive can be decided in polynomial time (Tiwari in 2004, Braverman in 2006). In this paper, we consider problems that lie between the initialized and uninitialized variant. More precisely, we ask if 0 (resp. negative numbers) can be avoided from every initial configuration in a neighborhood of a given initial configuration. This can be considered as a robust variant of the Skolem (resp. positivity) problem. We show that these problems lie at the frontier of decidability: if the neighbourhood is given as part of the input, then robust Skolem and robust positivity are Diophantine hard, i.e., solving either would entail major breakthrough in Diophantine approximations, as happens for (non-robust) positivity. However, if one asks whether such a neighbourhood exists, then the problems turn out to be decidable with PSPACE complexity. Our techniques also allow us to tackle robustness for ultimate positivity, which asks whether there is a bound on the number of steps after which the LRS remains positive. There are two variants depending on whether we ask for a "uniform" bound on this number of steps. For the non-uniform variant, when the neighbourhood is open, the problem turns out to be tractable, even when the neighbourhood is given as input.
Large Language Models (LLMs) have shown excellent generalization capabilities that have led to the development of numerous models. These models propose various new architectures, tweaking existing architectures with refined training strategies, increasing context length, using high-quality training data, and increasing training time to outperform baselines. Analyzing new developments is crucial for identifying changes that enhance training stability and improve generalization in LLMs. This survey paper comprehensively analyses the LLMs architectures and their categorization, training strategies, training datasets, and performance evaluations and discusses future research directions. Moreover, the paper also discusses the basic building blocks and concepts behind LLMs, followed by a complete overview of LLMs, including their important features and functions. Finally, the paper summarizes significant findings from LLM research and consolidates essential architectural and training strategies for developing advanced LLMs. Given the continuous advancements in LLMs, we intend to regularly update this paper by incorporating new sections and featuring the latest LLM models.
Recent artificial intelligence (AI) systems have reached milestones in "grand challenges" ranging from Go to protein-folding. The capability to retrieve medical knowledge, reason over it, and answer medical questions comparably to physicians has long been viewed as one such grand challenge. Large language models (LLMs) have catalyzed significant progress in medical question answering; Med-PaLM was the first model to exceed a "passing" score in US Medical Licensing Examination (USMLE) style questions with a score of 67.2% on the MedQA dataset. However, this and other prior work suggested significant room for improvement, especially when models' answers were compared to clinicians' answers. Here we present Med-PaLM 2, which bridges these gaps by leveraging a combination of base LLM improvements (PaLM 2), medical domain finetuning, and prompting strategies including a novel ensemble refinement approach. Med-PaLM 2 scored up to 86.5% on the MedQA dataset, improving upon Med-PaLM by over 19% and setting a new state-of-the-art. We also observed performance approaching or exceeding state-of-the-art across MedMCQA, PubMedQA, and MMLU clinical topics datasets. We performed detailed human evaluations on long-form questions along multiple axes relevant to clinical applications. In pairwise comparative ranking of 1066 consumer medical questions, physicians preferred Med-PaLM 2 answers to those produced by physicians on eight of nine axes pertaining to clinical utility (p < 0.001). We also observed significant improvements compared to Med-PaLM on every evaluation axis (p < 0.001) on newly introduced datasets of 240 long-form "adversarial" questions to probe LLM limitations. While further studies are necessary to validate the efficacy of these models in real-world settings, these results highlight rapid progress towards physician-level performance in medical question answering.
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.
Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.
Deep neural networks (DNNs) are successful in many computer vision tasks. However, the most accurate DNNs require millions of parameters and operations, making them energy, computation and memory intensive. This impedes the deployment of large DNNs in low-power devices with limited compute resources. Recent research improves DNN models by reducing the memory requirement, energy consumption, and number of operations without significantly decreasing the accuracy. This paper surveys the progress of low-power deep learning and computer vision, specifically in regards to inference, and discusses the methods for compacting and accelerating DNN models. The techniques can be divided into four major categories: (1) parameter quantization and pruning, (2) compressed convolutional filters and matrix factorization, (3) network architecture search, and (4) knowledge distillation. We analyze the accuracy, advantages, disadvantages, and potential solutions to the problems with the techniques in each category. We also discuss new evaluation metrics as a guideline for future research.
We investigate the problem of automatically determining what type of shoe left an impression found at a crime scene. This recognition problem is made difficult by the variability in types of crime scene evidence (ranging from traces of dust or oil on hard surfaces to impressions made in soil) and the lack of comprehensive databases of shoe outsole tread patterns. We find that mid-level features extracted by pre-trained convolutional neural nets are surprisingly effective descriptors for this specialized domains. However, the choice of similarity measure for matching exemplars to a query image is essential to good performance. For matching multi-channel deep features, we propose the use of multi-channel normalized cross-correlation and analyze its effectiveness. Our proposed metric significantly improves performance in matching crime scene shoeprints to laboratory test impressions. We also show its effectiveness in other cross-domain image retrieval problems: matching facade images to segmentation labels and aerial photos to map images. Finally, we introduce a discriminatively trained variant and fine-tune our system through our proposed metric, obtaining state-of-the-art performance.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.
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