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Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

Algorithmic differentiation (AD) is a set of techniques that provide partial derivatives of computer-implemented functions. Such a function can be supplied to state-of-the-art AD tools via its source code, or via an intermediate representation produced while compiling its source code. We present the novel AD tool Derivgrind, which augments the machine code of compiled programs with forward-mode AD logic. Derivgrind leverages the Valgrind instrumentation framework for a structured access to the machine code, and a shadow memory tool to store dot values. Access to the source code is required at most for the files in which input and output variables are defined. Derivgrind's versatility comes at the price of scaling the run-time by a factor between 30 and 75, measured on a benchmark based on a numerical solver for a partial differential equation. Results of our extensive regression test suite indicate that Derivgrind produces correct results on GCC- and Clang-compiled programs, including a Python interpreter, with a small number of exceptions. While we provide a list of scenarios that Derivgrind does not handle correctly, nearly all of them are academic counterexamples or originate from highly optimized math libraries. As long as differentiating those is avoided, Derivgrind can be applied to an unprecedentedly wide range of cross-language or partially closed-source software with little integration efforts.

We consider the multilinear polytope which arises naturally in binary polynomial optimization. Del Pia and Di Gregorio introduced the class of odd $\beta$-cycle inequalities valid for this polytope, showed that these generally have Chv{\'a}tal rank 2 with respect to the standard relaxation and that, together with flower inequalities, they yield a perfect formulation for cycle hypergraph instances. Moreover, they describe a separation algorithm in case the instance is a cycle hypergraph. We introduce a weaker version, called simple odd $\beta$-cycle inequalities, for which we establish a strongly polynomial-time separation algorithm for arbitrary instances. These inequalities still have Chv{\'a}tal rank 2 in general and still suffice to describe the multilinear polytope for cycle hypergraphs. Finally, we report about computational results of our prototype implementation. The simple odd $\beta$-cycle inequalities sometimes help to close more of the integrality gap in the experiments; however, the preliminary implementation has substantial computational cost, suggesting room for improvement in the separation algorithm.

We consider a dynamic Bayesian persuasion setting where a single long-lived sender persuades a stream of ``short-lived'' agents (receivers) by sharing information about a payoff-relevant state. The state transitions are Markovian and the sender seeks to maximize the long-run average reward by committing to a (possibly history-dependent) signaling mechanism. While most previous studies of Markov persuasion consider exogenous agent beliefs that are independent of the chain, we study a more natural variant with endogenous agent beliefs that depend on the chain's realized history. A key challenge to analyze such settings is to model the agents' partial knowledge about the history information. We analyze a Markov persuasion process (MPP) under various information models that differ in the amount of information the receivers have about the history of the process. Specifically, we formulate a general partial-information model where each receiver observes the history with an $\ell$ period lag. Our technical contribution start with analyzing two benchmark models, i.e., the full-history information model and the no-history information model. We establish an ordering of the sender's payoff as a function of the informativeness of agent's information model (with no-history as the least informative), and develop efficient algorithms to compute optimal solutions for these two benchmarks. For general $\ell$, we present the technical challenges in finding an optimal signaling mechanism, where even determining the right dependency on the history becomes difficult. To bypass the difficulties, we use a robustness framework to design a "simple" \emph{history-independent} signaling mechanism that approximately achieves optimal payoff when $\ell$ is reasonably large.

For a graph class $\mathcal{G}$, we define the $\mathcal{G}$-modular cardinality of a graph $G$ as the minimum size of a vertex partition of $G$ into modules that each induces a graph in $\mathcal{G}$. This generalizes other module-based graph parameters such as neighborhood diversity and iterated type partition. Moreover, if $\mathcal{G}$ has bounded modular-width, the W[1]-hardness of a problem in $\mathcal{G}$-modular cardinality implies hardness on modular-width, clique-width, and other related parameters. On the other hand, fixed-parameter tractable (FPT) algorithms in $\mathcal{G}$-modular cardinality may provide new ideas for algorithms using such parameters. Several FPT algorithms based on modular partitions compute a solution table in each module, then combine each table into a global solution. This works well when each table has a succinct representation, but as we argue, when no such representation exists, the problem is typically W[1]-hard. We illustrate these ideas on the generic $(\alpha, \beta)$-domination problem, which asks for a set of vertices that contains at least a fraction $\alpha$ of the adjacent vertices of each unchosen vertex, plus some (possibly negative) amount $\beta$. This generalizes known domination problems such as Bounded Degree Deletion, $k$-Domination, and $\alpha$-Domination. We show that for graph classes $\mathcal{G}$ that require arbitrarily large solution tables, these problems are W[1]-hard in the $\mathcal{G}$-modular cardinality, whereas they are fixed-parameter tractable when they admit succinct solution tables. This leads to several new positive and negative results for many domination problems parameterized by known and novel structural graph parameters such as clique-width, modular-width, and $cluster$-modular cardinality.

Tensor networks have been an important concept and technique in many research areas, such as quantum computation and machine learning. We study the exponential complexity of contracting tensor networks on two special graph structures: planar graphs and finite element graphs. We prove that any finite element graph has a $O(d\sqrt{\max\{\Delta,d\}N})$ size edge separator. Furthermore, we develop a $2^{O(d\sqrt{\max\{\Delta,d\}N})}$ time algorithm to contracting a tensor network consisting of $N$ Boolean tensors, whose underlying graph is a finite element graph with maximum degree $\Delta$ and has no face with more than $d$ boundary edges in the planar skeleton, based on the $2^{O(\sqrt{\Delta N})}$ time algorithm \cite{fastcounting} for planar Boolean tensor network contractions. We use two methods to accelerate the exponential algorithms by transferring high-dimensional tensors to low-dimensional tensors. We put up a $O(k)$ size planar gadget for any Boolean symmetric tensor of dimension $k$, where the gadget only consists of Boolean tensors with dimension no more than $5$. Another method is decomposing any tensor into a series of vectors (unary functions), according to its \emph{CP decomposition} \cite{tensor-rank}. We also prove the sub-exponential time lower bound for contracting tensor networks under the counting \emph{Exponential Time Hypothesis} (\#ETH) holds.

Knowledge graph reasoning (KGR), aiming to deduce new facts from existing facts based on mined logic rules underlying knowledge graphs (KGs), has become a fast-growing research direction. It has been proven to significantly benefit the usage of KGs in many AI applications, such as question answering and recommendation systems, etc. According to the graph types, the existing KGR models can be roughly divided into three categories, \textit{i.e.,} static models, temporal models, and multi-modal models. The early works in this domain mainly focus on static KGR and tend to directly apply general knowledge graph embedding models to the reasoning task. However, these models are not suitable for more complex but practical tasks, such as inductive static KGR, temporal KGR, and multi-modal KGR. To this end, multiple works have been developed recently, but no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a survey for knowledge graph reasoning tracing from static to temporal and then to multi-modal KGs. Concretely, the preliminaries, summaries of KGR models, and typical datasets are introduced and discussed consequently. Moreover, we discuss the challenges and potential opportunities. The corresponding open-source repository is shared on GitHub: //github.com/LIANGKE23/Awesome-Knowledge-Graph-Reasoning.

The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Pre-trained language representation models, such as BERT, capture a general language representation from large-scale corpora, but lack domain-specific knowledge. When reading a domain text, experts make inferences with relevant knowledge. For machines to achieve this capability, we propose a knowledge-enabled language representation model (K-BERT) with knowledge graphs (KGs), in which triples are injected into the sentences as domain knowledge. However, too much knowledge incorporation may divert the sentence from its correct meaning, which is called knowledge noise (KN) issue. To overcome KN, K-BERT introduces soft-position and visible matrix to limit the impact of knowledge. K-BERT can easily inject domain knowledge into the models by equipped with a KG without pre-training by-self because it is capable of loading model parameters from the pre-trained BERT. Our investigation reveals promising results in twelve NLP tasks. Especially in domain-specific tasks (including finance, law, and medicine), K-BERT significantly outperforms BERT, which demonstrates that K-BERT is an excellent choice for solving the knowledge-driven problems that require experts.