In this work, we design quantum algorithms that are more efficient than classical algorithms to solve time-dependent and finite-horizon Markov Decision Processes (MDPs) in two distinct settings: (1) In the exact dynamics setting, where the agent has full knowledge of the environment’s dynamics (i.e., transition probabilities), we prove that our Quantum Value Iteration (QVI) algorithm QVI-1 achieves a quadratic speedup in the size of the action space $(A)$ compared with the classical value iteration algorithm for computing the optimal policy ($\pi^{\ast}$) and the optimal V-value function ($V_{0}^{\ast}$). Furthermore, our algorithm QVI-2 provides an additional speedup in the size of the state space $(S)$ when obtaining near-optimal policies and V-value functions. Both QVI-1 and QVI-2 achieve quantum query complexities that provably improve upon classical lower bounds, particularly in their dependences on $S$ and $A$. (2) In the generative model setting, where samples from the environment are accessible in quantum superposition, we prove that our algorithms QVI-3 and QVI-4 achieve improvements in sample complexity over the state-of-the-art (SOTA) classical algorithm in terms of $A$, estimation error $(\epsilon)$, and time horizon $(H)$. More importantly, we prove quantum lower bounds to show that QVI-3 and QVI-4 are asymptotically optimal, up to logarithmic factors, assuming a constant time horizon.

The design of quantum algorithms typically assumes the availability of an ideal quantum computer, characterized by full connectivity, noiseless operation, and unlimited coherence time. However, Noisy Intermediate-Scale Quantum (NISQ) devices present a stark contrast, with a limited number of qubits, non-negligible quantum operation errors, and stringent constraints on the connectivity of physical qubits within a Quantum Processing Unit (QPU). This necessitates the dynamic remapping of logical qubits to physical qubits within the compiler to facilitate the execution of two-qubit gates in the algorithm. However, this introduces additional operations, consequently reducing the fidelity of the algorithm. Therefore, minimizing the number of added gates becomes crucial. Finding such an optimal routing problem is NP-hard, and the task is conventionally addressed using human-crafted heuristics to search for SWAP sequences, but these lack performance guarantees. In this study, we employ a Seq2Seq machine learning model for the qubit routing task, incorporating a Transformer neural network to learn the routing information in the gate and SWAP sequence. Compared to heuristic search-based algorithms, our approach significantly reduces the overhead of quantum computing resources required to adapt logical circuits to physical circuits executable on specific quantum backend hardware.

Large-scale quantum networks with thousands of nodes require topology-oblivious routing protocols to realize. Most existing quantum network routing protocols only consider the intra-domain scenario, where all nodes belong to a single party with complete topology knowledge. However, like the classical Internet, quantum Internet will likely be provided by multiple quantum Internet Service Providers (qISPs). In this paper, we consider the inter-domain scenario, where the network consists of multiple subnetworks owned by mutually untrusted parties without centralized control. Under this setting, previously proposed quantum entanglement routing policies, which rely on the network topology knowledge, are no longer applicable. We propose a Quantum Border Gateway Protocol (QBGP) for efficiently routing entanglement across qISP boundaries. To guarantee high-quality information transmission, we propose an algorithm named online top-K path selection. This algorithm utilizes the information gain introduced in this paper to adaptively decide on measurement parameters, allowing for the selection of high-fidelity paths and accurate fidelity estimates, while minimizing costs. Additionally, we implement a quantum network simulator and evaluate our protocol and algorithm. Our evaluation shows that QBGP effectively distributes entanglement across different qISPs, and our path selection algorithm increases the network performance by selecting high-fidelity paths with much lower resource consumption than other methods.

Protein-ligand binding affinity (PLBA) prediction is the fundamental task in drug discovery. Recently, various deep learning-based models predict binding affinity by incorporating the three-dimensional (3D) structure of protein-ligand complexes as input and achieving astounding progress. However, due to the scarcity of high-quality training data, the generalization ability of current models is still limited. Although there is a vast amount of affinity data available in large-scale databases such as ChEMBL, issues such as inconsistent affinity measurement labels (i.e. IC50, Ki, Kd), different experimental conditions, and the lack of available 3D binding structures complicate the development of high-precision affinity prediction models using these data. To address these issues, we (i) propose Multi-task Bioassay Pre-training (MBP), a pre-training framework for structure-based PLBA prediction; (ii) construct a pre-training dataset called ChEMBL-Dock with more than 300k experimentally measured affinity labels and about 2.8M docked 3D structures. By introducing multi-task pre-training to treat the prediction of different affinity labels as different tasks and classifying relative rankings between samples from the same bioassay, MBP learns robust and transferrable structural knowledge from our new ChEMBL-Dock dataset with varied and noisy labels. Experiments substantiate the capability of MBP on the structure-based PLBA prediction task. To the best of our knowledge, MBP is the first affinity pre-training model and shows great potential for future development. MBP web-server is now available for free at: https://huggingface.co/spaces/jiaxianustc/mbp.

Coplanar Waveguides (CPW) are ideally suited for coherently interfacing resonators with superconducting qubits. However, integrating CPWs with circuit elements on quantum chips involves curvature and discontinuities of the central conductors and corresponding ground planes, which may generate undesired parasitic modes. Experiments have demonstrated that air-bridges can effectively suppress this unwanted effect. Nevertheless, as quantum processors increase in size, manual air-bridge placement on the chip layout becomes increasingly time-consuming and error-prone. Automation of this process is therefore highly desirable, especially when the center line (channel) of the CPWs is not pre-established. In this paper we propose a parametric EDA method for coplanar waveguide channel identification and air-bridge construction in quantum chips. Our approach applies to both separated and full-package air-bridges and scales efficiently, with running time linear in the number of points and quadratic in the number of arcs in the corresponding chip layout. We evaluate our approach on a set of open-source quantum chip layouts, generating air-bridges in times ranging from 0.05 to 0.5 seconds—a practical speedup of over 10,000 times compared to manual generation. Furthermore, We propose two original quantitative metrics, accuracy and overlap, and verify that our method yields reliable results, producing air-bridges in the required shapes and locations. We fabricate a 13-qubit chip using our method for air-bridge placement, and observe excellent performance with minimal microwave and flux crosstalk. This research enables rapid generation of air-bridges when CPW channels are not pre-specified, paving the way for more flexible, automated, and modular design of superconducting quantum EDA.

Some physical implementation schemes of quantum computing can apply two-qubit gates only on certain pairs of qubits. These connectivity constraints are commonly viewed as a significant disadvantage. For example, compiling an unrestricted$n$-qubit quantum circuit to one with poor qubit connectivity, such as a 1-D chain, usually results in a blowup of depth by$O(n^{2})$and size by$O(n)$. It is appealing to conjecture that this overhead is unavoidable—a random circuit on$n$qubits has$\Theta (n)$two-qubit gates in each layer and a constant fraction of them act on qubits separated by distance$\Theta (n)$. While it is known that almost all$n$-qubit unitary operations need quantum circuits of$\Omega (4^{n}/n)$depth and$\Omega (4^{n})$size to realize with all-to-all qubit connectivity, in this article, we show that all$n$-qubit unitary operations can be implemented by quantum circuits of$O(4^{n}/n)$depth and$O(4^{n})$size even under 1-D chain qubit connectivity constraint. We extend this result and investigate qubit connectivity in three directions. First, we consider more general connectivity graphs and show that the circuit size can always be made$O(4^{n})$as long as the graph is connected. For circuit depth, we study$d$-dimensional grids, complete$d$-ary trees and expander graphs, and show results similar to the 1-D chain. Second, we consider the case when ancillary qubits are available. We show that, with ancilla, the circuit depth can be made polynomial, and the space-depth trade-off is not impaired by connectivity constraints unless we have exponentially many ancillary qubits. Third, we obtain nearly optimal results on special families of unitaries, including diagonal unitaries, 2-by-2 block diagonal unitaries, and quantum state preparation (QSP) unitaries, the last being a fundamental task used in many quantum algorithms for machine learning and linear algebra.

Estimating statistical properties is fundamental in statistics and computer science. In this paper, we propose a unified quantum algorithm framework for estimating properties of discrete probability distributions, with estimating Rényi entropies as specific examples. In particular, given a quantum oracle that prepares ann-dimensional quantum state Σni=1√pi|i⟩, for α > 1 and 0Hα(p) to within additive error ϵ with probability at least 2/3 using Õ(n1-1/2α/ϵ + √n/ϵ1+ 1/2α) and Õ(n1/2α/ϵ1+ 1/2α) queries, respectively. This improves the best known dependence in ϵ as well as the joint dependence betweennand 1/ϵ. Technically, our quantum algorithms combine quantum singular value transformation, quantum annealing, and variable-time amplitude estimation. We believe that our algorithm framework is of general interest and has wide applications.

The Quantum State Preparation problem aims to prepare an n-qubit quantum state |ψv=k=02n-1vk|k from the initial state |0n, for a given unit vector v=(v0,v1,v2,v2n-1)TC2n with ||v||2=1. The problem is of fundamental importance in quantum algorithm design, Hamiltonian simulation and quantum machine learning, yet its circuit depth complexity remains open when ancillary qubits are available. In this paper, we study quantum circuits when there are m ancillary qubits available. We construct, for any m, circuits that can prepare |ψvin depth Õ(2nm+n+n) and size O(2n), achieving the optimal value for both measures simultaneously. These results also imply a depth complexity of (4nm+n) for quantum circuits implementing a general n-qubit unitary for any m≤O(2n/n) number of ancillary qubits. This resolves the depth complexity for circuits without ancillary qubits. And for circuits with exponentially many ancillary qubits, our result quadratically improves the currently best upper bound of O(4n) to ˜(2n). Our circuits are deterministic, prepare the state and carry out the unitary precisely, utilize the ancillary qubits tightly and the depths are optimal in a wide parameter regime. The results can be viewed as (optimal) time-space trade-off bounds, which is not only theoretically interesting, but also practically relevant in the current trend that the number of qubits starts to take off, by showing a way to use a large number of qubits to compensate the short qubit lifetime.

The classic secretary problem concerns the problem of an employer facing a random sequence of candidates and making online hiring decisions to try to hire the best candidate. In this paper, we study a game-theoretic generalization of the secretary problem where a set of employers compete with each other to hire the best candidate. Different from previous secretary market models, our model assumes that the sequence of candidates arriving at each employer is uniformly random but independent from other sequences. We consider two versions of this secretary game where employers can have adaptive or non-adaptive strategies, and provide characterizations of the best response and Nash equilibrium of each game.

Noise is a significant obstacle to quantum computing, and ZZ crosstalk is one of the most destructive types of noise affecting superconducting qubits. Previous approaches to suppressing ZZ crosstalk have mainly relied on specific chip design that can complicate chip fabrication and aggravate decoherence. To some extent, special chip design can be avoided by relying on pulse optimization to suppress ZZ crosstalk. However, existing approaches are non-scalable, as their required time and memory grow exponentially with the number of qubits involved.

Retrosynthesis prediction is one of the fundamental challenges in organic synthesis. The task is to predict the reactants given a core product. With the advancement of machine learning, computer-aided synthesis planning has gained increasing interest. Numerous methods were proposed to solve this problem with different levels of dependency on additional chemical knowledge. In this paper, we propose Retroformer, a novel Transformer-based architecture for retrosynthesis prediction without relying on any cheminformatics tools for molecule editing. Via the proposed local attention head, the model can jointly encode the molecular sequence and graph, and efficiently exchange information between the local reactive region and the global reaction context. Retroformer reaches the new state-of-the-art accuracy for the end-to-end template-free retrosynthesis, and improves over many strong baselines on better molecule and reaction validity. In addition, its generative procedure is highly interpretable and controllable. Overall, Retroformer pushes the limits of the reaction reasoning ability of deep generative models.

The notion of word embedding plays a fundamental role in natural language processing (NLP). However, pre-training word embedding for very large-scale vocabulary is computationally challenging for most existing methods. In this work, we show that with merely a small fraction of contexts (Q-contexts) which are typical in the whole corpus (and their mutual information with words), one can construct high-quality word embedding with negligible errors. Mutual information between contexts and words can be encoded canonically as a sampling state, thus, Q-contexts can be fast constructed. Furthermore, we present an efficient and effective WEQ method, which is capable of extracting word embedding directly from these typical contexts. In practical scenarios, our algorithm runs 11 ~ 13 times faster than well-established methods. By comparing with well-known methods such as matrix factorization, word2vec, GloVe and fasttext, we demonstrate that our method achieves comparable performance on a variety of downstream NLP tasks, and in the meanwhile maintains run-time and resource advantages over all these baselines.

Let $G = (V,w)$ be a weighted undirected graph with $m$ edges. The cut dimension of $G$ is the dimension of the span of the characteristic vectors of the minimum cuts of $G$, viewed as vectors in $\{0,1\}^m$. For every $n \ge 2$ we show that the cut dimension of an $n$-vertex graph is at most $2n-3$, and construct graphs realizing this bound. The cut dimension was recently defined by Graur et al.\ \cite{GPRW20}, who show that the maximum cut dimension of an $n$-vertex graph is a lower bound on the number of cut queries needed by a deterministic algorithm to solve the minimum cut problem on $n$-vertex graphs. For every $n\ge 2$, Graur et al.\ exhibit a graph on $n$ vertices with cut dimension at least $3n/2 -2$, giving the first lower bound larger than $n$ on the deterministic cut query complexity of computing mincut. We observe that the cut dimension is even a lower bound on the number of \emph{linear} queries needed by a deterministic algorithm to solve mincut, where a linear query can ask any vector $x \in \mathbb{R}^{\binom{n}{2}}$ and receives the answer $w^T x$. Our results thus show a lower bound of $2n-3$ on the number of linear queries needed by a deterministic algorithm to solve minimum cut on $n$-vertex graphs, and imply that one cannot show a lower bound larger than this via the cut dimension. We further introduce a generalization of the cut dimension which we call the $\ell_1$-approximate cut dimension. The $\ell_1$-approximate cut dimension is also a lower bound on the number of linear queries needed by a deterministic algorithm to compute minimum cut. It is always at least as large as the cut dimension, and we construct an infinite family of graphs on $n=3k+1$ vertices with $\ell_1$-approximate cut dimension $2n-2$, showing that it can be strictly larger than the cut dimension.

As current Noisy Intermediate Scale Quantum (NISQ) devices suffer from decoherence errors, any delay in the instruction execution of quantum control microarchitecture can lead to the loss of quantum information and incorrect computation results. Hence, it is crucial for the control microarchitecture to issue quantum operations to the Quantum Processing Unit (QPU) in time. As in classical microarchitecture, parallelism in quantum programs needs to be exploited for speedup. However, three challenges emerge in the quantum scenario: 1) the quantum feedback control can introduce significant pipeline stall latency; 2) timing control is required for all quantum operations; 3) QPU requires a deterministic operation supply to prevent the accumulation of quantum errors.

Let G be an n-vertex graph with m edges. When asked a subset S of vertices, a cut query on G returns the number of edges of G that have exactly one endpoint in S. We show that there is a bounded-error quantum algorithm that determines all connected components of G after making O(log(n)6) many cut queries. In contrast, it follows from results in communication complexity that any randomized algorithm even just to decide whether the graph is connected or not must make at least Ω(n/log(n)) many cut queries. We further show that with O(log(n)8) many cut queries a quantum algorithm can with high probability output a spanning forest for G. En route to proving these results, we design quantum algorithms for learning a graph using cut queries. We show that a quantum algorithm can learn a graph with maximum degree d after O(d log(n)2) many cut queries, and can learn a general graph with many cut queries. These two upper bounds are tight up to the poly-logarithmic factors, and compare to Ω(dn) and Ω(m/log(n)) lower bounds on the number of cut queries needed by a randomized algorithm for the same problems, respectively. The key ingredients in our results are the Bernstein-Vazirani algorithm, approximate counting with “OR queries”, and learning sparse vectors from inner products as in compressed sensing.

MOTIVATION: Computational methods accelerate drug discovery and play an important role in biomedicine, such as molecular property prediction and compound-protein interaction (CPI) identification. A key challenge is to learn useful molecular representation. In the early years, molecular properties are mainly calculated by quantum mechanics or predicted by traditional machine learning methods, which requires expert knowledge and is often labor-intensive. Nowadays, graph neural networks have received significant attention because of the powerful ability to learn representation from graph data. Nevertheless, current graph-based methods have some limitations that need to be addressed, such as large-scale parameters and insufficient bond information extraction. RESULTS: In this study, we proposed a graph-based approach and employed a novel triplet message mechanism to learn molecular representation efficiently, named triplet message networks (TrimNet). We show that TrimNet can accurately complete multiple molecular representation learning tasks with significant parameter reduction, including the quantum properties, bioactivity, physiology and CPI prediction. In the experiments, TrimNet outperforms the previous state-of-the-art method by a significant margin on various datasets. Besides the few parameters and high prediction accuracy, TrimNet could focus on the atoms essential to the target properties, providing a clear interpretation of the prediction tasks. These advantages have established TrimNet as a powerful and useful computational tool in solving the challenging problem of molecular representation learning. AVAILABILITY: The quantum and drug datasets are available on the website of MoleculeNet: http://moleculenet.ai. The source code is available in GitHub: https://github.com/yvquanli/trimnet. CONTACT: [email protected], [email protected].

Quantum machine learning has the potential for broad industrial applications, and the development of quantum algorithms for improving the performance of neural networks is of particular interest given the central role they play in machine learning today. We present quantum algorithms for training and evaluating feedforward neural networks based on the canonical classical feedforward and backpropagation algorithms. Our algorithms rely on an efficient quantum subroutine for approximating inner products between vectors in a robust way, and on implicitly storing intermediate values in quantum random access memory for fast retrieval at later stages. The running times of our algorithms can be quadratically faster in the size of the network than their standard classical counterparts since they depend linearly on the number of neurons in the network, and not on the number of connections between neurons. Furthermore, networks trained by our quantum algorithm may have an intrinsic resilience to overfitting, as the algorithm naturally mimics the effects of classical techniques used to regularize networks. Our algorithms can also be used as the basis for new quantum-inspired classical algorithms with the same dependence on the network dimensions as their quantum counterparts but with quadratic overhead in other parameters that makes them relatively impractical.

Noisy labels are ubiquitous in real-world datasets, which poses a challenge for robustly training deep neural networks (DNNs) as DNNs usually have the high capacity to memorize the noisy labels. In this paper, we find that the test accuracy can be quantitatively characterized in terms of the noise ratio in datasets. In particular, the test accuracy is a quadratic function of the noise ratio in the case of symmetric noise, which explains the experimental findings previously published. Based on our analysis, we apply cross-validation to randomly split noisy datasets, which identifies most samples that have correct labels. Then we adopt the Co-teaching strategy which takes full advantage of the identified samples to train DNNs robustly against noisy labels. Compared with extensive state-of-the-art methods, our strategy consistently improves the generalization performance of DNNs under both synthetic and real-world training noise.

Microlending can lead to improved access to capital in impoverished countries. Recommender systems could be used in microlending to provide efficient and personalized service to lenders. However, increasing concerns about discrimination in machine learning hinder the application of recommender systems to the microfinance industry. Most previous recommender systems focus on pure personalization, with fairness issue largely ignored. A desirable fairness property in microlending is to give borrowers from different demographic groups a fair chance of being recommended, as stated by Kiva. To achieve this goal, we propose a Fairness-Aware Re-ranking (FAR) algorithm to balance ranking quality and borrower-side fairness. Furthermore, we take into consideration that lenders may differ in their receptivity to the diversification of recommended loans, and develop a Personalized Fairness-Aware Re-ranking (PFAR) algorithm. Experiments on a real-world dataset from Kiva.org show that our re-ranking algorithm can significantly promote fairness with little sacrifice in accuracy, and be attentive to individual lender preference on loan diversity.

We investigate the ride-sharing assignment problem from an algorithmic resource allocation point of view. Given a number of requests with source and destination locations, and a number of available car locations, the task is to assign cars to requests with two requests sharing one car. We formulate this as a combinatorial optimization problem, and show that it is NP-hard. We then design an approximation algorithm which guarantees to output a solution with at most 2.5 times the optimal cost. Experiments are conducted showing that our algorithm actually has a much better approximation ratio (around 1.2) on synthetically generated data.

We consider a new setting of online clustering of contextual cascading bandits, an online learning problem where the underlying cluster structure over users is unknown and needs to be learned from a random prefix feedback. More precisely, a learning agent recommends an ordered list of items to a user, who checks the list and stops at the first satisfactory item, if any. We propose an algorithm of CLUB-cascade for this setting and prove an n-step regret bound of order O(√n). Previous work corresponds to the degenerate case of only one cluster, and our general regret bound in this special case also significantly improves theirs. We conduct experiments on both synthetic and real data, and demonstrate the effectiveness of our algorithm and the advantage of incorporating online clustering method.

Policy optimization on high-dimensional continuous control tasks exhibits its difficulty caused by the large variance of the policy gradient estimators. We present the action subspace dependent gradient (ASDG) estimator which incorporates the Rao-Blackwell theorem (RB) and Control Variates (CV) into a unified framework to reduce the variance. To invoke RB, our proposed algorithm (POSA) learns the underlying factorization structure among the action space based on the second-order advantage information. POSA captures the quadratic information explicitly and efficiently by utilizing the wide \& deep architecture. Empirical studies show that our proposed approach demonstrates the performance improvements on high-dimensional synthetic settings and OpenAI Gym's MuJoCo continuous control tasks.

For Click-Through Rate (CTR) prediction, Field-aware Factorization Machines (FFM) have exhibited great effectiveness by considering field information. However, it is also observed that FFM suffers from the overfitting problem in many practical scenarios. In this paper, we propose a Field-aware Probabilistic Embedding Neural Network (FPENN) model with both good generalization ability and high accuracy. FPENN estimates the probability distribution of the field-aware embedding rather than using the single point estimation (the maximum a posteriori estimation) to prevent overfitting. Both low-order and high-order feature interactions are considered to improve the accuracy. FPENN consists of three components, i.e., FPE component, Quadratic component and Deep component. FPE component outputs probabilistic embedding to the other two components, where various confidence levels for feature embeddings are incorporated to enhance the robustness and the accuracy. Quadratic component is designed for extracting low-order feature interactions, while Deep component aims at capturing high-order feature interactions. Experiments are conducted on two benchmark datasets, Avazu and Criteo. The results confirm that our model alleviates the overfitting problem while having a higher accuracy.

Data sparsity and cold start are two major problems of collaborative filtering based recommender systems. In many modern Internet applications, we have a social network over the users of recommender systems, from which social information can be utilized to improve the accuracy of recommendation. In this paper, we propose a novel trust-based matrix factorization model. Unlike most existing social recommender systems which use social information in the form of a regularizer on parameters of recommendation algorithms, we utilize the social information to densify the training data set by filling certain missing values (handle the data sparsity problem). In addition, by employing different pseudo rating generating criteria on cold start users and normal users, we can also partially solve the cold start problem effectively. Experiment results on real-world data sets demonstrated the superiority of our method over state-of-art approaches.

The Sensitivity Conjecture and the Log-rank Conjecture are among the most important and challenging problems in concrete complexity. Incidentally, the Sensitivity Conjecture is known to hold for monotone functions, and so is the Log-rank Conjecture for f(x and y) and f(x xor y) with monotone functions f, where and and xor are bit-wise AND and XOR , respectively. In this paper, we extend these results to functions f which alternate values for a relatively small number of times on any monotone path from 0^n to 1^n. These deepen our understandings of the two conjectures, and contribute to the recent line of research on functions with small alternating numbers.

While crowdsourcing has been a cost and time efficient method to label massive samples, one critical issue is quality control, for which the key challenge is to infer the ground truth from noisy or even adversarial data by various users. A large class of crowdsourcing problems, such as those involving age, grade, level, or stage, have an ordinal structure in their labels. Based on a technique of sampling estimated label from the posterior distribution, we define a novel separating width among the labeled observations to characterize the quality of sampled labels, and develop an efficient algorithm to optimize it through solving multiple linear decision boundaries and adjusting prior distributions. Our algorithm is empirically evaluated on several real world datasets, and demonstrates its supremacy over state-of-the-art methods.

We introduce a graphical framework for fair division in cake cutting, where comparisons between agents are limited by an underlying network structure. We generalize the classical fairness notions of envy-freeness and proportionality in this graphical setting. An allocation is called envy-free on a graph if no agent envies any of her neighbor's share, and is called proportional on a graph if every agent values her own share no less than the average among her neighbors, with respect to her own measure. These generalizations enable new research directions in developing simple and efficient algorithms that can produce fair allocations under specific graph structures. On the algorithmic frontier, we first propose a moving-knife algorithm that outputs an envy-free allocation on trees. The algorithm is significantly simpler than the discrete and bounded envy-free algorithm introduced in [Aziz and Mackenzie, 2016] for compete graphs. Next, we give a discrete and bounded algorithm for computing a proportional allocation on transitive closure of trees, a class of graphs by taking a rooted tree and connecting all its ancestor-descendant pairs.

We study the online allocation problem under a roommate market model introduced in [Chan et al., 2016]. Consider a fixed supply of n rooms and a list of 2n applicants arriving sequentially in an online fashion. The problem is to assign a room to each person upon her arrival, such that after the algorithm terminates, each room is shared by exactly two people. We focus on two objectives: (1) maximizing the social welfare, which is defined as the sum of valuations that applicants have for their rooms, plus the happiness value between each pair of roommates; (2) the allocation should satisfy certain stability conditions, such that no group of people would be willing to switch roommates or rooms. We first show a polynomial-time online algorithm that achieves constant competitive ratio for social welfare maximization. We then extend it to the case where each room is assigned to c > 2 people, and achieve a competitive ratio of Ω(1/c^2). Finally, we show both positive and negative results in satisfying different stability conditions in this online setting.

We introduce a roommate market model, in which 2n people need to be assigned to n rooms, with two people in each room. Each person has a valuation to each room, as well as a valuation to each of other people as a roommate. Each room has a rent shared by the two people living in the room, and we need to decide who live together in which room and how much each should pay. Various solution concepts on stability and envy-freeness are proposed, with their existence studied and the computational complexity of the corresponding search problems analyzed. In particular, we show that maximizing the social welfare is NP-hard, and we give a polynomial time algorithm that achieves at least 2/3 of the maximum social welfare. Finally, we demonstrate a pricing scheme that can achieve envy-freeness for each room.

A canonical result about satisfiability theory is that the 2-SAT problem can be solved in linear time, despite the NP-hardness of the 3-SAT problem. In the quantum 2-SAT problem, we are given a family of 2-qubit projectors Q_{ij} on a system of n qubits, and the task is to decide whether the Hamiltonian H = sum Q_{ij} has a 0-eigenvalue, or it is larger than 1/n^c for some c = O(1). The problem is not only a natural extension of the classical 2-SAT problem to the quantum case, but is also equivalent to the problem of finding the ground state of 2-local frustration-free Hamiltonians of spin 1/2, a well-studied model believed to capture certain key properties in modern condensed matter physics. While Bravyi has shown that the quantum 2-SAT problem has a classical polynomial-time algorithm, the running time of his algorithm is O(n^4). In this paper we give a classical algorithm with linear running time in the number of local projectors, therefore achieving the best possible complexity.

We propose the contextual combinatorial cascading bandits, a combinatorial online learning game, where at each time step a learning agent is given a set of contextual information, then selects a list of items, and observes stochastic outcomes of a prefix in the selected items by some stopping criterion. In online recommendation, the stopping criterion might be the first item a user selects; in network routing, the stopping criterion might be the first edge blocked in a path. We consider position discounts in the list order, so that the agent’s reward is discounted depending on the position where the stopping criterion is met. We design a UCB-type algorithm, C^3-UCB, for this problem, prove an n-step regret bound \tildeO(\sqrtn) in the general setting, and give finer analysis for two special cases. Our work generalizes existing studies in several directions, including contextual information, position discounts, and a more general cascading bandit model. Experiments on synthetic and real datasets demonstrate the advantage of involving contextual information and position discounts.

What is the minimum amount of information and time needed to solve 2SAT? When the instance is known, it can be solved in polynomial time, but is this also possible without knowing the instance? Bei, Chen and Zhang (STOC'13) considered a model where the input is accessed by proposing possible assignments to a special oracle. This oracle, on encountering some constraint unsatisfied by the proposal, returns only the constraint index. It turns out that, in this model, even 1SAT cannot be solved in polynomial time unless P=NP. Hence, we consider a model in which the input is accessed by proposing probability distributions over assignments to the variables. The oracle then returns the index of the constraint that is most likely to be violated by this distribution. We show that the information obtained this way is sufficient to solve 1SAT in polynomial time, even when the clauses can be repeated. For 2SAT, as long as there are no repeated clauses, in polynomial time we can even learn an equivalent formula for the hidden instance and hence also solve it. Furthermore, we extend these results to the quantum regime. We show that in this setting 1QSAT can be solved in polynomial time up to constant precision, and 2QSAT can be learnt in polynomial time up to inverse polynomial precision.

In dynamic distinct counting, we want to maintain a multi-set S of integers under insertions to answer efficiently the query: how many distinct elements are there in S? In external memory, the problem admits two standard solutions. The first one maintains $S$ in a hash structure, so that the distinct count can be incrementally updated after each insertion using O(1) expected I/Os. A query is answered for free. The second one stores S in a linked list, and thus supports an insertion in O(1/B) amortized I/Os. A query can be answered in O(N/B log_{M/B} (N/B)) I/Os by sorting, where N=|S|, B is the block size, and M is the memory size. In this paper, we show that the above two naive solutions are already optimal within a polylog factor. Specifically, for any Las Vegas structure using N^{O(1)} blocks, if its expected amortized insertion cost is o(1/log B}), then it must incur Omega(N/(B log B)) expected I/Os answering a query in the worst case, under the (realistic) condition that N is a polynomial of B. This means that the problem is repugnant to update buffering: the query cost jumps from 0 dramatically to almost linearity as soon as the insertion cost drops slightly below Omega(1).

Cloud storage has gained a remarkable success in recent years with an increasing number of consumers and enterprises outsourcing their data to the cloud. To assure the availability and integrity of the outsourced data, several protocols have been proposed to audit cloud storage. Despite the formally guaranteed security, the constructions employed heavy cryptographic operations as well as advanced concepts (e.g., bilinear maps over elliptic curves and digital signatures), and thus are inefficient to admit wide applicability in practice. In this paper, we design a novel secure cloud storage protocol, which is conceptually and technically simpler and significantly more efficient than previous constructions. Inspired by a classic string equality checking protocol in distributed computing, our protocol uses only basic integer arithmetic (without advanced techniques and concepts). As simple as the protocol is, it supports both randomized and deterministic auditing to fit different applications. We further extend the proposed protocol to support data dynamics, i.e., adding, deleting and modifying data, using a novel technique. As a further contribution, we find a systematic way to design secure cloud storage protocols based on verifiable computation protocols. Theoretical and experimental analyses validate the efficacy of our protocol.

We show that for any Boolean function f : {0,1}n → {0,1}, the bounded-error quantum communication complexity Q∊(f ○ ⊕) of XOR functions f(x ⊕ y) satisfies that where d = deg2(f) is the ℱ2-degree of f, and ‖ ‖1,∊ = ming:‖f–g‖∞≤∊ ‖ĝ‖1. This implies that the previous lower bound Q∊(f ○ ⊕) = Ω(log ‖ ‖1,∊) by Lee and Shraibman [LS09] is tight for f with low 2-degree. The result also confirms the quantum version of the Log-rank Conjecture for low-degree XOR functions. In addition, we show that the exact quantum communication complexity satisfies where ‖ ‖0 is the number of nonzero Fourier coefficients of f. This matches the previous lower bound QE(f(x, y)) = Ω(logrank(Mf)) by Buhrman and de Wolf [BdW01] for low-degree XOR functions.

We study Boolean functions with sparse Fourier spectrum or small spectral norm, and show their applications to the Log-rank Conjecture for XOR functions f(x ⊕ y) - a fairly large class of functions including well studied ones such as Equality and Hamming Distance. The rank of the communication matrix Mffor such functions is exactly the Fourier sparsity of f. Let d = deg2(f) be the F2-degree of f and DCC(f · ⊕) stand for the deterministic communication complexity for f(x ⊕ y). We show that 1) DCC(f · ⊕) = O(2d2/2logd-2 ∥f̂∥1). In particular, the Log-rank conjecture holds for XOR functions with constant F2-degree. 2) DCC(f · ⊕) = O(d∥f̂∥1) = O(√(rank(Mf))). This improves the (trivial) linear bound by nearly a quadratic factor. We obtain our results through a degree-reduction protocol based on a variant of polynomial rank, and actually conjecture that the communication cost of our protocol is at most logO(1)rank(Mf). The above bounds are obtained from different analysis for the number of parity queries required to reduce f's F2-degree. Our bounds also hold for the parity decision tree complexity of f, a measure that is no less than the communication complexity. Along the way we also prove several structural results about Boolean functions with small Fourier sparsity ∥f̂∥0or spectral norm ∥f̂∥1, which could be of independent interest. For functions f with constant F2-degree, we show that: 1) f can be written as the summation of quasi-polynomially many indicator functions of subspaces with ±-signs, improving the previous doubly exponential upper bound by Green and Sanders; 2) being sparse in Fourier domain is polynomially equivalent to having a small parity decision tree complexity; and 3) f depends only on polylog∥f̂∥1linear functions of input variables. For functions f with small spectral norm, we show that: 1) there is an affine subspace of co dimension ∥f̂∥1on which f(x) is a constant, and 2) there is a parity decision ∥f̂∥1log∥f̂∥0for computing f.

We investigate the fundamental problem of generating bipartite classical distributions or quantum states. By designing efficient communication protocols and proving their optimality, we establish a number of intriguing connections to fundamental measures in optimization, convex geometry, and information theory. 1. To generate a classical distribution P(x, y), we tightly characterize the minimum amount of quantum communication needed by the psd-rank of P (as a matrix), a measure recently proposed by Fiorini, Massar, Pokutta, Tiwary and de Wolf (Proceedings of the 44th A CM Symposium on Theory of Computing, pages 95–106, 2012) in studies of the minimum size of extended formulations of optimization problems such as TSP. This echos the previous characterization for the optimal classical communication cost by the nonnegative rank of P. The result is obtained via investigating the more general case of bipartite quantum state generation and designing an optimal protocol for it. 2. When an approximation of ε is allowed to generate a distribution (X, Y) ∼ P, we present a classical protocol of the communication cost O((C(X, Y) + 1)/ε), where C(X, Y) is common information, a well-studied measure in information theory introduced by Wyner (IEEE Transactions on Information Theory, 21(2):163–179, 1975). This also links nonnegative rank and common information, two seemingly unrelated quantities in different fields. 3. For approximately generating a quantum pure state |ψ〉, we completely characterize the minimum cost by a corresponding approximate rank, closing a possibly exponential gap left in Ambainis, Schulman, Ta-Shma, Vazirani and Wigderson (SIAM Journal on Computing, 32(6):1570–1585, 2003).

Motivated by certain applications from physics, biochemistry, economics, and computer science in which the objects under investigation are unknown or not directly accessible because of various limitations, we propose a trial-and-error model to examine search problems in which inputs are unknown. More specifically, we consider constraint satisfaction problems ⋀i Ci, where the constraints Ci are hidden, and the goal is to find a solution satisfying all constraints. We can adaptively propose a candidate solution (i.e., trial), and there is a verification oracle that either confirms that it is a valid solution, or returns the index i of a violated constraint (i.e., error), with the exact content of Ci still hidden.

We investigate the fundamental problem of generating bipartite classical distributions or quantum states. By designing efficient communication protocols and proving their optimality, we establish a number of intriguing connections to fundamental measures in optimization, convex geometry, and information theory. 1) To generate a classical distribution P(x,y), we tightly characterize the minimum amount of quantum communication needed by the psd-rank of P (as a matrix), a measure recently proposed by Fiorini et al. (Proc. 44th ACM Symp. Theory Comput., pp. 95-106, 2012) in studies of the minimum size of extended formulations of optimization problems such as TSP. This echos the previous characterization for the optimal classical communication cost by the nonnegative rank of P. The result is obtained via investigating the more general case of bipartite quantum state generation and designing an optimal protocol for it. 2) When an approximation ϵ is allowed to generate a distribution (X,Y)~P, we present a classical protocol of the communication cost O((C(X,Y)+1)/ϵ, where C(X,Y) is common information, a well-studied measure in information theory introduced by Wyner (IEEE Trans. Inf. Theory, 21 (2):163-179, 1975). This also links nonnegative rank and common information, two seemingly unrelated quantities in different fields. 3) For approximately generating a quantum pure state |ψ〉, we completely characterize the minimum cost by a corresponding approximate rank, closing a possibly exponential gap left in Ambainis etal. (SIAM J. Comput., 32 (6):1570-1585, 2003).

We propose a simple yet rich model to extend strategic games to the quantum setting, in which we define quantum Nash and correlated equilibria and study the relations between classical and quantum equilibria. Unlike all previous work that focused on qualitative questions on specific games of very small sizes, we quantitatively address the following fundamental question for general games of growing sizes:

Consider the problem of evaluating an AND-OR formula on an N-bit black-box input. We present a bounded-error quantum algorithm that solves this problem in time $N^{1/2+o(1)}$. In particular, approximately balanced formulas can be evaluated in $O(\sqrt{N})$ queries, which is optimal. The idea of the algorithm is to apply phase estimation to a discrete-time quantum walk on a weighted tree whose spectrum encodes the value of the formula.

We study the so called combinatorial framework for algorithmic problems in similarity spaces. Namely, the input dataset is represented by a comparison oracle that given three points x, y, y′ answers whether y or y′ is closer to x. We assume that the similarity order of the dataset satisfies the four variations of the following disorder inequality: if x is the a'th most similar object to y and y is the b'th most similar object to z, then x is among the D(a + b) most similar objects to z, where D is a relatively small disorder constant. Though the oracle gives much less information compared to the standard general metric space model where distance values are given, one can still design very efficient algorithms for various fundamental computational tasks. For nearest neighbor search we present deterministic and exact algorithm with almost linear time and space complexity of preprocessing, and near-logarithmic time complexity of search. Then, for near-duplicate detection we present the first known deterministic algorithm that requires just near-linear time + time proportional to the size of output. Finally, we show that for any dataset satisfying the disorder inequality a visibility graph can be constructed: all out-degrees are near-logarithmic and greedy routing deterministically converges to the nearest neighbor of a target in logarithmic number of steps. The later result is the first known work-around for Navarro's impossibility of generalizing Delaunay graphs. The technical contribution of the paper consists of handling “false positives” in data structures and an algorithmic technique up-aside-down-filter.

The problem Local Search, which finds a local minimum of a black-box function on a given graph, is of both practical and theoretical importance to combinatorial optimization, complexity theory, and many other areas in theoretical computer science. In this paper, we study the problem in both the randomized and the quantum query models and give new lower and upper bound techniques in both models. The lower bound technique works for any graph that contains a product graph as a subgraph. Applying it to the Boolean hypercube $\{0,1\}^n$ and the constant-dimensional grids $[n]^d$, two particular product graphs that recently drew much attention, we get the following tight results: $\text{{\it RLS\/}}(\{0,1\}^n)=\Theta(2^{n/2}n^{1/2})$, $\text{{\it QLS\/}}(\{0,1\}^n)=\Theta(2^{n/3}n^{1/6})$, $\text{{\it RLS\/}}([n]^d)=\Theta(n^{d/2})$ for $d\geq4$, $\text{{\it QLS\/}}([n]^d)=\Theta(n^{d/3})$ for $d\geq6$. Here $\text{{\it RLS\/}}(G)$ and $\text{{\it QLS\/}}(G)$ are the randomized and quantum query complexities of Local Search on G, respectively. These improve the previous results by Aaronson [in Proceedings of the Thirty-Sixth Annual ACM Symposium on Theory of Computing, 2004, pp. 465–474], Ambainis (unpublished), and Santha and Szegedy [in Proceedings of the Thirty-Sixth Annual ACM Symposium on Theory of Computing, 2004, pp. 494–501]. Our new algorithms work well when the underlying graph expands slowly. As an application to $[n]^2$, a new quantum algorithm using $O(\sqrt{n}(\log\log n)^{1.5})$ queries is given. This improves the previously best known upper bound of $O(n^{2/3})$ (see Aaronson [in Proceedings of the Thirty-Sixth Annual ACM Symposium on Theory of Computing, 2004, pp. 465–474]), and implies that Local Search on grids exhibits different properties in low dimensions.

For any AND-OR formula of size N, there exists a bounded-error N1/2+o(1)-time quantum algorithm, based on a discrete-time quantum walk, that evaluates this formula on a black-box input. Balanced, or "approximately balanced," formulas can be evaluated in O(radicN) queries, which is optimal. It follows that the (2-o(1))th power of the quantum query complexity is a lower bound on the formula size, almost solving in the positive an open problem posed by Laplante, Lee and Szegedy.

Local Search problem, which finds a local minimum of a black-box function on a given graph, is of both practical and theoretical importance to combinatorial optimization, complexity theory and many other areas in theoretical computer science. In this paper, we study the problem in the randomized and quantum query models and give new lower and upper bound techniques in both models.The lower bound technique works for any graph that contains a product graph as a subgraph. Applying it to the Boolean hypercube (0, 1)n and the constant dimensional grids [n]d, two particular product graphs that recently drew much attention, we get the following tight results: RLS((0, 1)n) = Θ(2n/2n1/2), QLS((0, 1)n) = Θ(2n/3n1/6); RLS([n]d) = Θ(nd/2), ∀ d ≥ 4, QLS([n]d) = Θ(nd/3), ∀ d ≥ 6. Here RLS(G) and QLS(G) are the randomized and quantum query complexities of Local Search on G, respectively. These improve the previous results by Aaronson [2], Ambainis (unpublished) and Santha and Szegedy [20].Our new algorithms work well when the underlying graph expands slowly. As an application to [n]2, a new quantum algorithm using O(☂n(log log n)1.5) queries is given. This improves the previous best known upper bound of O(n2/3) (Aaronson, [2]), and implies that Local Search on grids exhibits different properties in low dimensions.

A common assumption behind most of the recent research on network utility maximization is that traffic flows are elastic, which implies that their utility functions are concave and there are no hard limits on the rate allocated to each flow. These critical assumptions lead to tractability of the analytic models of utility maximization, but also limits applicability of the resulting rate allocation protocols. This paper focuses on inelastic flows and removes these restrictive and often invalid assumptions. We present several optimization frameworks, optimality conditions, and optimal algorithms. First, we consider nonconcave utility functions, which turn utility maximization into nonconvex, constrained optimization problems that are well-known to be difficult. We present conditions under which the current standard price-based distributed algorithm can still converge to the globally optimal rate allocation despite nonconcavity of utility functions. In particular, continuity of price-based rate allocation at all the optimal prices is a sufficient condition for global convergence of rate allocation by the standard algorithm, and continuity at at least one optimal price is a necessary condition. In the second part of the paper, we provide a general problem formulation of rate allocation among time-sensitive flows from real-time and streaming applications, as well as a decomposition into subproblems coordinated by pricing. After simplifying the subproblems by leveraging the optimization structures, we highlight the difficult issues of causality and time-scale, and propose an effective price-based heuristics for admission control and an optimal algorithm for a special case formulation.

In decision tree models, considerable attention has been paid on the effect of symmetry on computational complexity. That is, for a permutation group /spl Gamma/, how low can the complexity be for any Boolean function invariant under /spl Gamma/? In this paper, we investigate this question for quantum decision trees for graph properties, directed graph properties, and circular functions. In particular, we prove that the n-vertex Scorpion graph property has quantum query complexity /spl Theta//sup /spl tilde// (n/sup 1/2/), which implies that the minimum quantum complexity for graph properties is strictly less than that for monotone graph properties (known to be /spl Omega/(n/sup 2/3/)). A directed graph property, SINK, is also shown to have the /spl Theta//sup /spl tilde//(n/sup 1/2/) quantum query complexity. Furthermore, we give an N-ary circular function which has the quantum query complexity /spl Theta/ /sup /spl tilde//(N/sup 1/4/). Finally, we show that for any permutation group /spl Gamma/, as long as /spl Gamma/ is transitive, the quantum query complexity of any function invariant to /spl Gamma/ is at least /spl Omega/(N/sup 1/4/), which implies that our examples are (almost) the best ones in the sense of pinning down the complexity for the corresponding permutation group.