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We report the presence of a simple neural mechanism that represents an input-output function as a vector within autoregressive transformer language models (LMs). Using causal mediation analysis on a diverse range of in-context-learning (ICL) tasks, we find that a small number attention heads transport a compact representation of the demonstrated task, which we call a function vector (FV). FVs are robust to changes in context, i.e., they trigger execution of the task on inputs such as zero-shot and natural text settings that do not resemble the ICL contexts from which they are collected. We test FVs across a range of tasks, models, and layers and find strong causal effects across settings in middle layers. We investigate the internal structure of FVs and find while that they often contain information that encodes the output space of the function, this information alone is not sufficient to reconstruct an FV. Finally, we test semantic vector composition in FVs, and find that to some extent they can be summed to create vectors that trigger new complex tasks. Our findings show that compact, causal internal vector representations of function abstractions can be explicitly extracted from LLMs. Our code and data are available at //functions.baulab.info.

Weak coin flipping is an important cryptographic primitive -- it is the strongest known secure two-party computation primitive that classically becomes secure only under certain assumptions (e.g. computational hardness), while quantumly there exist protocols that achieve arbitrarily close to perfect security. This breakthrough result was established by Mochon in 2007 [arXiv:0711.4114]. However, his proof relied on the existence of certain unitary operators which was established by a non-constructive argument. Consequently, explicit protocols have remained elusive. In this work, we give exact constructions of related unitary operators. These, together with a new formalism, yield a family of protocols approaching perfect security thereby also simplifying Mochon's proof of existence. We illustrate the construction of explicit weak coin flipping protocols by considering concrete examples (from the aforementioned family of protocols) that are more secure than all previously known protocols.

A characterization of the representability of neural networks is relevant to comprehend their success in artificial intelligence. This study investigate two topics on ReLU neural network expressivity and their connection with a conjecture related to the minimum depth required for representing any continuous piecewise linear function (CPWL). The topics are the minimal depth representation of the sum and max operations, as well as the exploration of polytope neural networks. For the sum operation, we establish a sufficient condition on the minimal depth of the operands to find the minimal depth of the operation. In contrast, regarding the max operation, a comprehensive set of examples is presented, demonstrating that no sufficient conditions, depending solely on the depth of the operands, would imply a minimal depth for the operation. The study also examine the minimal depth relationship between convex CPWL functions. On polytope neural networks, we investigate several fundamental properties, deriving results equivalent to those of ReLU networks, such as depth inclusions and depth computation from vertices. Notably, we compute the minimal depth of simplices, which is strictly related to the minimal depth conjecture in ReLU networks.

Finding a Hamiltonian cycle in a given graph is computationally challenging, and in general remains so even when one is further given one Hamiltonian cycle in the graph and asked to find another. In fact, no significantly faster algorithms are known for finding another Hamiltonian cycle than for finding a first one even in the setting where another Hamiltonian cycle is structurally guaranteed to exist, such as for odd-degree graphs. We identify a graph class -- the bipartite Pfaffian graphs of minimum degree three -- where it is NP-complete to decide whether a given graph in the class is Hamiltonian, but when presented with a Hamiltonian cycle as part of the input, another Hamiltonian cycle can be found efficiently. We prove that Thomason's lollipop method~[Ann.~Discrete Math.,~1978], a well-known algorithm for finding another Hamiltonian cycle, runs in a linear number of steps in cubic bipartite Pfaffian graphs. This was conjectured for cubic bipartite planar graphs by Haddadan [MSc~thesis,~Waterloo,~2015]; in contrast, examples are known of both cubic bipartite graphs and cubic planar graphs where the lollipop method takes exponential time. Beyond the lollipop method, we address a slightly more general graph class and present two algorithms, one running in linear-time and one operating in logarithmic space, that take as input (i) a bipartite Pfaffian graph $G$ of minimum degree three, (ii) a Hamiltonian cycle $H$ in $G$, and (iii) an edge $e$ in $H$, and output at least three other Hamiltonian cycles through the edge $e$ in $G$. We also present further improved algorithms for finding optimal traveling salesperson tours and counting Hamiltonian cycles in bipartite planar graphs with running times that are not known to hold in general planar graphs.

Human values play a vital role as an analytical tool in social sciences, enabling the study of diverse dimensions within society as a whole and among individual communities. This paper addresses the limitations of traditional survey-based studies of human values by proposing a computational application of Schwartz's values framework to Reddit, a platform organized into distinct online communities. After ensuring the reliability of automated value extraction tools for Reddit content, we automatically annotate six million posts across 10,000 subreddits with Schwartz values. Our analysis unveils both previously recorded and novel insights into the values prevalent within various online communities. For instance, when examining subreddits with differing opinions on controversial topics, we discover higher universalism values in the Vegan subreddit compared to Carnivores. Additionally, our study of geographically specific subreddits highlights the correlation between traditional values and conservative U.S. states.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

The notion of "in-domain data" in NLP is often over-simplistic and vague, as textual data varies in many nuanced linguistic aspects such as topic, style or level of formality. In addition, domain labels are many times unavailable, making it challenging to build domain-specific systems. We show that massive pre-trained language models implicitly learn sentence representations that cluster by domains without supervision -- suggesting a simple data-driven definition of domains in textual data. We harness this property and propose domain data selection methods based on such models, which require only a small set of in-domain monolingual data. We evaluate our data selection methods for neural machine translation across five diverse domains, where they outperform an established approach as measured by both BLEU and by precision and recall of sentence selection with respect to an oracle.

The demand for artificial intelligence has grown significantly over the last decade and this growth has been fueled by advances in machine learning techniques and the ability to leverage hardware acceleration. However, in order to increase the quality of predictions and render machine learning solutions feasible for more complex applications, a substantial amount of training data is required. Although small machine learning models can be trained with modest amounts of data, the input for training larger models such as neural networks grows exponentially with the number of parameters. Since the demand for processing training data has outpaced the increase in computation power of computing machinery, there is a need for distributing the machine learning workload across multiple machines, and turning the centralized into a distributed system. These distributed systems present new challenges, first and foremost the efficient parallelization of the training process and the creation of a coherent model. This article provides an extensive overview of the current state-of-the-art in the field by outlining the challenges and opportunities of distributed machine learning over conventional (centralized) machine learning, discussing the techniques used for distributed machine learning, and providing an overview of the systems that are available.

Benefit from the quick development of deep learning techniques, salient object detection has achieved remarkable progresses recently. However, there still exists following two major challenges that hinder its application in embedded devices, low resolution output and heavy model weight. To this end, this paper presents an accurate yet compact deep network for efficient salient object detection. More specifically, given a coarse saliency prediction in the deepest layer, we first employ residual learning to learn side-output residual features for saliency refinement, which can be achieved with very limited convolutional parameters while keep accuracy. Secondly, we further propose reverse attention to guide such side-output residual learning in a top-down manner. By erasing the current predicted salient regions from side-output features, the network can eventually explore the missing object parts and details which results in high resolution and accuracy. Experiments on six benchmark datasets demonstrate that the proposed approach compares favorably against state-of-the-art methods, and with advantages in terms of simplicity, efficiency (45 FPS) and model size (81 MB).

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into different categories. With a focus on graph convolutional networks, we review alternative architectures that have recently been developed; these learning paradigms include graph attention networks, graph autoencoders, graph generative networks, and graph spatial-temporal networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes and benchmarks of the existing algorithms on different learning tasks. Finally, we propose potential research directions in this fast-growing field.