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In this project, we explore the concept of invertibility applied to serialisation and lexing frameworks. Recall that, on one hand, serialisation is the process of taking a data structure and writing it to a bit array while parsing is the reverse operation, i.e., reading the bit array and constructing the data structure back. While lexing, on the other hand, is the process of reading a stream of characters and splitting them into tokens, by following a list of given rules. While used in different applications, both are similar in their abstract operation: they both take a list of simple characters and extract a more complex structure. Applications in which these two operations are used are different but they share a need for the invertibility of the process. For example, when tokenising a code file that was prettyprinted by a compiler, one would expect to get the same sequence of tokens. Similarly, when a spacecraft sends scientific data to the ground, one would expect the parsed data to be the same as the one serialised by the spacecraft. The idea of this project is to explore the idea of having a framework capable of generating parser/serialiser or lexer/prettyprinter pairs with a formally verified notion of invertibility. We first explore related works and frameworks. After that, we present our verified lexer framework developed in Scala and verified using the Stainless framework1. We explain the implementation choices we make and present the specifications and their proofs. The code of the lexer with the proofs is available on Github2. The main branch contains the regular expression (called regex from now on) matcher version and the verified Computable Languages while the dfa match branch contains the version using the DFA matcher.

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Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

Transformer is a promising neural network learner, and has achieved great success in various machine learning tasks. Thanks to the recent prevalence of multimodal applications and big data, Transformer-based multimodal learning has become a hot topic in AI research. This paper presents a comprehensive survey of Transformer techniques oriented at multimodal data. The main contents of this survey include: (1) a background of multimodal learning, Transformer ecosystem, and the multimodal big data era, (2) a theoretical review of Vanilla Transformer, Vision Transformer, and multimodal Transformers, from a geometrically topological perspective, (3) a review of multimodal Transformer applications, via two important paradigms, i.e., for multimodal pretraining and for specific multimodal tasks, (4) a summary of the common challenges and designs shared by the multimodal Transformer models and applications, and (5) a discussion of open problems and potential research directions for the community.

In large-scale systems there are fundamental challenges when centralised techniques are used for task allocation. The number of interactions is limited by resource constraints such as on computation, storage, and network communication. We can increase scalability by implementing the system as a distributed task-allocation system, sharing tasks across many agents. However, this also increases the resource cost of communications and synchronisation, and is difficult to scale. In this paper we present four algorithms to solve these problems. The combination of these algorithms enable each agent to improve their task allocation strategy through reinforcement learning, while changing how much they explore the system in response to how optimal they believe their current strategy is, given their past experience. We focus on distributed agent systems where the agents' behaviours are constrained by resource usage limits, limiting agents to local rather than system-wide knowledge. We evaluate these algorithms in a simulated environment where agents are given a task composed of multiple subtasks that must be allocated to other agents with differing capabilities, to then carry out those tasks. We also simulate real-life system effects such as networking instability. Our solution is shown to solve the task allocation problem to 6.7% of the theoretical optimal within the system configurations considered. It provides 5x better performance recovery over no-knowledge retention approaches when system connectivity is impacted, and is tested against systems up to 100 agents with less than a 9% impact on the algorithms' performance.

Forecasting has always been at the forefront of decision making and planning. The uncertainty that surrounds the future is both exciting and challenging, with individuals and organisations seeking to minimise risks and maximise utilities. The large number of forecasting applications calls for a diverse set of forecasting methods to tackle real-life challenges. This article provides a non-systematic review of the theory and the practice of forecasting. We provide an overview of a wide range of theoretical, state-of-the-art models, methods, principles, and approaches to prepare, produce, organise, and evaluate forecasts. We then demonstrate how such theoretical concepts are applied in a variety of real-life contexts. We do not claim that this review is an exhaustive list of methods and applications. However, we wish that our encyclopedic presentation will offer a point of reference for the rich work that has been undertaken over the last decades, with some key insights for the future of forecasting theory and practice. Given its encyclopedic nature, the intended mode of reading is non-linear. We offer cross-references to allow the readers to navigate through the various topics. We complement the theoretical concepts and applications covered by large lists of free or open-source software implementations and publicly-available databases.

The new era of technology has brought us to the point where it is convenient for people to share their opinions over an abundance of platforms. These platforms have a provision for the users to express themselves in multiple forms of representations, including text, images, videos, and audio. This, however, makes it difficult for users to obtain all the key information about a topic, making the task of automatic multi-modal summarization (MMS) essential. In this paper, we present a comprehensive survey of the existing research in the area of MMS.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

This paper does not describe a working system. Instead, it presents a single idea about representation which allows advances made by several different groups to be combined into an imaginary system called GLOM. The advances include transformers, neural fields, contrastive representation learning, distillation and capsules. GLOM answers the question: How can a neural network with a fixed architecture parse an image into a part-whole hierarchy which has a different structure for each image? The idea is simply to use islands of identical vectors to represent the nodes in the parse tree. If GLOM can be made to work, it should significantly improve the interpretability of the representations produced by transformer-like systems when applied to vision or language

In recent years, object detection has experienced impressive progress. Despite these improvements, there is still a significant gap in the performance between the detection of small and large objects. We analyze the current state-of-the-art model, Mask-RCNN, on a challenging dataset, MS COCO. We show that the overlap between small ground-truth objects and the predicted anchors is much lower than the expected IoU threshold. We conjecture this is due to two factors; (1) only a few images are containing small objects, and (2) small objects do not appear enough even within each image containing them. We thus propose to oversample those images with small objects and augment each of those images by copy-pasting small objects many times. It allows us to trade off the quality of the detector on large objects with that on small objects. We evaluate different pasting augmentation strategies, and ultimately, we achieve 9.7\% relative improvement on the instance segmentation and 7.1\% on the object detection of small objects, compared to the current state of the art method on MS COCO.

The U-Net was presented in 2015. With its straight-forward and successful architecture it quickly evolved to a commonly used benchmark in medical image segmentation. The adaptation of the U-Net to novel problems, however, comprises several degrees of freedom regarding the exact architecture, preprocessing, training and inference. These choices are not independent of each other and substantially impact the overall performance. The present paper introduces the nnU-Net ('no-new-Net'), which refers to a robust and self-adapting framework on the basis of 2D and 3D vanilla U-Nets. We argue the strong case for taking away superfluous bells and whistles of many proposed network designs and instead focus on the remaining aspects that make out the performance and generalizability of a method. We evaluate the nnU-Net in the context of the Medical Segmentation Decathlon challenge, which measures segmentation performance in ten disciplines comprising distinct entities, image modalities, image geometries and dataset sizes, with no manual adjustments between datasets allowed. At the time of manuscript submission, nnU-Net achieves the highest mean dice scores across all classes and seven phase 1 tasks (except class 1 in BrainTumour) in the online leaderboard of the challenge.

Effective task management is essential to successful team collaboration. While the past decade has seen considerable innovation in systems that track and manage group tasks, these innovations have typically been outside of the principal communication channels: email, instant messenger, and group chat. Teams formulate, discuss, refine, assign, and track the progress of their collaborative tasks over electronic communication channels, yet they must leave these channels to update their task-tracking tools, creating a source of friction and inefficiency. To address this problem, we explore how bots might be used to mediate task management for individuals and teams. We deploy a prototype bot to eight different teams of information workers to help them create, assign, and keep track of tasks, all within their main communication channel. We derived seven insights for the design of future bots for coordinating work.

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