Standard approaches for global optimization of non-convex functions, such as branch-and-bound, maintain partition trees to systematically prune the domain. The tree size grows exponentially in the number of dimensions. We propose new sampling-based methods for non-convex optimization that adapts Monte Carlo Tree Search (MCTS) to improve efficiency. Instead of the standard use of visitation count in Upper Confidence Bounds, we utilize numerical overapproximations of the objective as an uncertainty metric, and also take into account of sampled estimates of first-order and second-order information. The Monte Carlo tree in our approach avoids the usual fixed combinatorial patterns in growing the tree, and aggressively zooms into the promising regions, while still balancing exploration and exploitation. We evaluate the proposed algorithms on high-dimensional non-convex optimization benchmarks against competitive baselines and analyze the effects of the hyper parameters.
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We prove that when we do the Taylor series expansion of the loss function, the BN operation will block the influence of the first-order term and most influence of the second-order term of the loss. We also find that such a problem is caused by the standardization phase of the BN operation. We believe that proving the blocking of certain loss terms provides an analytic perspective for potential detects of a deep model with BN operations, although the blocking problem is not fully equivalent to significant damages in all tasks on benchmark datasets. Experiments show that the BN operation significantly affects feature representations in specific tasks.
Human values are crucial to human decision-making. Value pluralism is the view that multiple correct values may be held in tension with one another (e.g., when considering lying to a friend to protect their feelings, how does one balance honesty with friendship?). As statistical learners, AI systems fit to averages by default, washing out these potentially irreducible value conflicts. To improve AI systems to better reflect value pluralism, the first-order challenge is to explore the extent to which AI systems can model pluralistic human values, rights, and duties as well as their interaction. We introduce ValuePrism, a large-scale dataset of 218k values, rights, and duties connected to 31k human-written situations. ValuePrism’s contextualized values are generated by GPT-4 and deemed high-quality by human annotators 91% of the time. We conduct a large-scale study with annotators across diverse social and demographic backgrounds to try to understand whose values are represented. With ValuePrism, we build Value Kaleidoscope (or Kaleido), an open, light-weight, and structured language-based multi-task model that generates, explains, and assesses the relevance and valence (i.e., support or oppose) of human values, rights, and duties within a specific context. Humans prefer the sets of values output by our system over the teacher GPT- 4, finding them more accurate and with broader coverage. In addition, we demonstrate that Kaleido can help explain variability in human decision-making by outputting contrasting values. Finally, we show that Kaleido’s representations transfer to other philosophical frameworks and datasets, confirming the benefit of an explicit, modular, and interpretable approach to value pluralism. We hope that our work will serve as a step to making more explicit the implicit values behind human decision-making and to steering AI systems to make decisions that are more in accordance with them.
In recent years, researchers have developed novel Quantum-Inspired Neural Network (QINN) frameworks for the Natural Language Processing (NLP) tasks, inspired by the theoretical investigations of quantum cognition. However, we have found that the training efficiency of QINNs is significantly lower than that of classical networks. We analyze the unitary transformation modules of existing QINNs based on the time displacement symmetry of quantum mechanics and discover that they are resembling a mathematical form similar to the first-order Euler method. The high truncation error associated with Euler method affects the training efficiency of QINNs. In order to enhance the training efficiency of QINNs, we generalize QINNs' unitary transformation modules to the Quantum-like high-order Runge-Kutta methods (QRKs). Moreover, we present the results of experiments on conversation emotion recognition and text classification tasks to validate the effectiveness of the proposed approach.
In many important machine learning applications, the standard assumption of having a globally Lipschitz continuous gradient may fail to hold. This paper delves into a more general (L0, L1)-smoothness setting, which gains particular significance within the realms of deep neural networks and distributionally robust optimization (DRO). We demonstrate the significant advantage of trust region methods for stochastic nonconvex optimization under such generalized smoothness assumption. We show that first-order trust region methods can recover the normalized and clipped stochastic gradient as special cases and then provide a unified analysis to show their convergence to first-order stationary conditions. Motivated by the important application of DRO, we propose a generalized high-order smoothness condition, under which second-order trust region methods can achieve a complexity of O(epsilon(-3.5)) for convergence to second-order stationary points. By incorporating variance reduction, the second-order trust region method obtains an even better complexity of O(epsilon(-3)), matching the optimal bound for standard smooth optimization. To our best knowledge, this is the first work to show convergence beyond the first-order stationary condition for generalized smooth optimization. Preliminary experiments show that our proposed algorithms perform favorably compared with existing methods.
Distributed optimization in resource constrained devices demands both communication efficiency and fast convergence rates. Newton-type methods are getting preferable due to their superior convergence rates compared to the first-order methods. In this paper, we study a new problem in regard to the second-order distributed optimization over unreliable networks. The working devices are power-limited or operate in unfavorable wireless channels, experiencing packet losses during their uplink transmission to the server. Our scenario is very common in real-world and leads to instability of classical distributed optimization methods especially the second-order methods because of their sensitivity to the imprecision of local Hessian matrices. To achieve robustness to high packet loss, communication efficiency and fast convergence rates, we propose a novel distributed second-order method, called RED-New (Packet loss Resilient Distributed Approximate Newton). Each iteration of RED-New comprises two rounds of light-weight and lossy transmissions, in which the server aggregates the local information with a new developed scaling strategy. We prove the linear-quadratic convergence rate of RED-New. Experimental results demonstrate its advantage over first-order and second-order baselines, and its tolerance to packet loss rate ranging from 5% to 40%.
Limited-supervised multi-label learning (LML) leverages weak or noisy supervision for multi-label classification model training over data with label noise, which contain missing labels and/or redundant labels. Existing studies usually solve LML problems by assuming that label noise is independent of the input features and class labels, while ignoring the fact that noisy labels may depend on the input features (instance-dependent) and the classes (label-dependent) in many real-world applications. In this paper, we propose limited-supervised Multi-label Learning with Dependency Noise (MLDN) to simultaneously identify the instance-dependent and label-dependent label noise by factorizing the noise matrix as the outputs of a mapping from the feature and label representations. Meanwhile, we regularize the problem with the manifold constraint on noise matrix to preserve local relationships and uncover the manifold structure. Theoretically, we bound noise recover error for the resulting problem. We solve the problem by using a first-order scheme based on proximal operator, and the convergence rate of it is at least sub-linear. Extensive experiments conducted on various datasets demonstrate the superiority of our proposed method.
Leading approaches to algorithmic fairness and policy-induced distribution shift are often misaligned with long-term objectives in sequential settings. We aim to correct these shortcomings by ensuring that both the objective and fairness constraints account for policy-induced distribution shift. First, we motivate this problem using an example in which individuals subject to algorithmic predictions modulate their willingness to participate with the policy maker. Fairness in this example is measured by the variance of group participation rates. Next, we develop a method for solving the resulting constrained, non-linear optimization problem and prove that this method converges to a fair, locally optimal policy given first-order information. Finally, we experimentally validate our claims in a semi-synthetic setting.
The success of Graph Neural Networks (GNNs) in practice has motivated extensive research on their theoretical properties. This includes recent results that characterise node classifiers expressible by GNNs in terms of first order logic. Most of the analysis, however, has been focused on GNNs with fixed number of message-passing iterations (i.e., layers), which cannot realise many simple classifiers such as reachability of a node with a given label. In this paper, we start to fill this gap and study the foundations of GNNs that can perform more than a fixed number of message-passing iterations. We first formalise two generalisations of the basic GNNs: recurrent GNNs (RecGNNs), which repeatedly apply message-passing iterations until the node classifications become stable, and graph-size GNNs (GSGNNs), which exploit a built-in function of the input graph size to decide the number of message-passings. We then formally prove that GNN classifiers are strictly less expressive than RecGNN ones, and RecGNN classifiers are strictly less expressive than GSGNN ones. To get this result, we identify novel semantic characterisations of the three formalisms in terms of suitable variants of bisimulation, which we believe have their own value for our understanding of GNNs. Finally, we prove syntactic logical characterisations of RecGNNs and GSGNNs analogous to the logical characterisation of plain GNNs, where we connect the two formalisms to monadic monotone fixpoint logic---a generalisation of first-order logic that supports recursion.
We consider the optimization problem of minimizing the sum-of-nonconvex function, i.e., a convex function that is the average of nonconvex components. The existing stochastic algorithms for such a problem only focus on a single machine and the centralized scenario. In this paper, we study the sum-of-nonconvex optimization in the decentralized setting. We present a new theoretical analysis of the PMGT-SVRG algorithm for this problem and prove the linear convergence of their approach. However, the convergence rate of the PMGT-SVRG algorithm has a linear dependency on the condition number, which is undesirable for the ill-conditioned problem. To remedy this issue, we propose an accelerated stochastic decentralized first-order algorithm by incorporating the techniques of acceleration, gradient tracking, and multi-consensus mixing into the SVRG algorithm. The convergence rate of the proposed method has a square-root dependency on the condition number. The numerical experiments validate the theoretical guarantee of our proposed algorithms on both synthetic and real-world datasets.
Value Iteration (VI) is one of the most classic algorithms for solving Markov Decision Processes (MDPs), which lays the foundations for various more advanced reinforcement learning algorithms, such as Q-learning. VI may take a large number of iterations to converge as it is a first-order method. In this paper, we introduce the Newton Value Iteration (NVI) algorithm, which eliminates the impact of action space dimension compared to some previous second-order methods. Consequently, NVI can efficiently handle MDPs with large action spaces. Building upon NVI, we propose a novel approach called Sketched Newton Value Iteration (SNVI) to tackle MDPs with both large state and action spaces. SNVI not only inherits the stability and fast convergence advantages of second-order algorithms, but also significantly reduces computational complexity, making it highly scalable. Extensive experiments demonstrate the superiority of our algorithms over traditional VI and previously proposed second-order VI algorithms.
Reactive synthesis is the process of generate correct con- trollers from temporal logic specifications. Typically, synthesis is restricted to Boolean specifications in LTL. Recently, a Boolean abstraction technique allows to translate LTLT specifications that contain literals in theories into equi-realizable LTL specifications, but no full synthesis procedure exists yet. In synthesis modulo theories, the system receives valuations of environment variables (from a first-order theory T ) and outputs valuations of system variables from T . In this paper, we address how to syntheize a full controller using a combination of the static Boolean controller obtained from the Booleanized LTL specification together with on-the-fly queries to a solver that produces models of satisfiable existential T formulae. This is the first synthesis method for LTL modulo theories. Additionally, our method can produce adaptive responses which increases explainability and can improve runtime properties like performance. Our approach is applicable to both LTL modulo theories and LTLf modulo theories.
Program synthesis is the task of automatically generating code based on a specification. In Syntax-Guided Synthesis (SyGuS) this specification is a combination of a syntactic template and a logical formula, and the result is guaranteed to satisfy both. We present a reinforcement-learning guided algorithm for SyGuS which uses Monte-Carlo Tree Search (MCTS) to search the space of candidate solutions. Our algorithm learns policy and value functions which, combined with the upper confidence bound for trees, allow it to balance exploration and exploitation. A common challenge in applying machine learning approaches to syntax-guided synthesis is the scarcity of training data. To address this, we present a method for automatically generating training data for SyGuS based on anti-unification of existing first-order satisfiability problems, which we use to train our MCTS policy. We implement and evaluate this setup and demonstrate that learned policy and value improve the synthesis performance over a baseline by over 26 percentage points in the training and testing sets. Our tool outperforms state-of-the-art tool cvc5 on the training set and performs comparably in terms of the total number of problems solved on the testing set (solving 23% of the benchmarks on which cvc5 fails). We make our data set publicly available, to enable further application of machine learning methods to the SyGuS problem.
We present a general framework for abstracting agent behavior in multi-agent synchronous games in the situation calculus, which provides a first-order representation of the state and allows us to model how plays depend on the data and objects involved. We represent such games as action theories of a special form called situation calculus synchronous game structures (SCSGSs), in which we have a single action "tick" whose effects depend on the combination of moves selected by the players. In our framework, one specifies both an abstract SCSGS and a concrete SCSGS, as well as a refinement mapping that specifies how each abstract move is implemented by a Golog program defined over the concrete SCSGS. We define notions of sound and complete abstraction with respect to a mapping over such SCSGS. To express strategic properties on the abstract and concrete games we adopt a first-order variant of alternating-time mu-calculus mu-ATL-FO. We show that we can exploit abstraction in verifying mu-ATL-FO properties of SCSGSs under the assumption that agents can always execute abstract moves to completion even if not fully controlling their outcomes.
Reasoning with knowledge graphs (KGs) has primarily focused on triple-shaped facts. Recent advancements have been explored to enhance the semantics of these facts by incorporating more potent representations, such as hyper-relational facts. However, these approaches are limited to atomic facts, which describe a single piece of information. This paper extends beyond atomic facts and delves into nested facts, represented by quoted triples where subjects and objects are triples themselves (e.g., ((BarackObama, holds_position, President), succeed_by, (DonaldTrump, holds_position, President))). These nested facts enable the expression of complex semantics like situations over time and logical patterns} over entities and relations. In response, we introduce NestE, a novel KG embedding approach that captures the semantics of both atomic and nested factual knowledge. NestE represents each atomic fact as a 1*3 matrix, and each nested relation is modeled as a 3*3 matrix that rotates the 1*3 atomic fact matrix through matrix multiplication. Each element of the matrix is represented as a complex number in the generalized 4D hypercomplex space, including (spherical) quaternions, hyperbolic quaternions, and split-quaternions. Through thorough analysis, we demonstrate the embedding's efficacy in capturing diverse logical patterns over nested facts, surpassing the confines of first-order logic-like expressions. Our experimental results showcase NestE's significant performance gains over current baselines in triple prediction and conditional link prediction. The code and pre-trained models are open available at https://github.com/xiongbo010/NestE.
Recent studies reveal the connection between GNNs and the diffusion process, which motivates many diffusion based GNNs to be proposed. However, since these two mechanisms are closely related, one fundamental question naturally arises: Is there a general diffusion framework that can formally unify these GNNs? The answer to this question can not only deepen our understanding of the learning process of GNNs, but also may open a new door to design a broad new class of GNNs. In this paper, we propose a general diffusion equation framework with the fidelity term, which formally establishes the relationship between the diffusion process with more GNNs. Meanwhile, with this framework, we identify one characteristic of graph diffusion networks, i.e., the current neural diffusion process only corresponds to the first-order diffusion equation. However, by an experimental investigation, we show that the labels of high-order neighbors actually appear monophily property, which induces the similarity based on labels among high-order neighbors without requiring the similarity among first-order neighbors. This discovery motives to design a new high-order neighbor-aware diffusion equation, and derive a new type of graph diffusion network (HiD-Net) based on the framework. With the high-order diffusion equation, HiD-Net is more robust against attacks and works on both homophily and heterophily graphs. We not only theoretically analyze the relation between HiD-Net with high-order random walk, but also provide a theoretical convergence guarantee. Extensive experimental results well demonstrate the effectiveness of HiD-Net over state-of-the-art graph diffusion networks.
Optical Character Recognition (OCR) of historical document images remains a challenging task because of the distorted input images, extensive number of uncommon characters, and the scarcity of labeled data, which impedes modern deep learning-based OCR techniques from achieving good recognition accuracy. Meanwhile, there exists a substantial amount of expert knowledge that can be utilized in this task. However, such knowledge is usually complicated and could only be accurately expressed with formal languages such as first-order logic (FOL), which is difficult to be directly integrated into deep learning models. This paper proposes KESAR, a novel Knowledge-Enhanced Document Segmentation And Recognition method for historical document images based on the Abductive Learning (ABL) framework. The segmentation and recognition models are enhanced by incorporating background knowledge for character extraction and prediction, followed by an efficient joint optimization of both models. We validate the effectiveness of KESAR on historical document datasets. The experimental results demonstrate that our method can simultaneously utilize knowledge-driven reasoning and data-driven learning, which outperforms the current state-of-the-art methods.
Algebraic data types (ADTs) are a construct classically found in functional programming languages that capture data structures like enumerated types, lists, and trees. In recent years, interest in ADTs has increased. For example, popular programming languages, like Python, have added support for ADTs. Automated reasoning about ADTs can be done using satisfiability modulo theories (SMT) solving, an extension of the Boolean satisfiability problem with first-order logic and associated background theories. Unfortunately, SMT solvers that support ADTs do not scale as state-of-the-art approaches all use variations of the same lazy approach. In this paper, we present an SMT solver that takes a fundamentally different approach, an eager approach. Specifically, our solver reduces ADT queries to a simpler logical theory, uninterpreted functions (UF), and then uses an existing solver on the reduced query. We prove the soundness and completeness of our approach and demonstrate that it outperforms the state of the art on existing benchmarks, as well as a new, more challenging benchmark set from the planning domain.
On Partial Optimal Transport: Revising the Infeasibility of Sinkhorn and Efficient Gradient Methods
PDF ↗This paper studies the Partial Optimal Transport (POT) problem between two unbalanced measures with at most n supports and its applications in various AI tasks such as color transfer or domain adaptation. There is hence a need for fast approximations of POT with increasingly large problem sizes in arising applications. We first theoretically and experimentally investigate the infeasibility of the state-of-the-art Sinkhorn algorithm for POT, which consequently degrades its qualitative performance in real world applications like point-cloud registration. To this end, we propose a novel rounding algorithm for POT, and then provide a feasible Sinkhorn procedure with a revised computation complexity of O(n^2/epsilon^4). Our rounding algorithm also permits the development of two first-order methods to approximate the POT problem. The first algorithm, Adaptive Primal-Dual Accelerated Gradient Descent (APDAGD), finds an epsilon-approximate solution to the POT problem in O(n^2.5/epsilon). The second method, Dual Extrapolation, achieves the computation complexity of O(n^2/epsilon), thereby being the best in the literature. We further demonstrate the flexibility of POT compared to standard OT as well as the practicality of our algorithms on real applications where two marginal distributions are unbalanced.
We analyze how symmetries can be used to compress structures (also known as interpretations) onto a smaller domain without loss of information. This analysis suggests the possibility to solve satisfiability problems in the compressed domain for better performance. Thus, we propose a 2-step novel method: (i) the sentence to be satisfied is automatically translated into an equisatisfiable sentence over a ``lifted'' vocabulary that allows domain compression; (ii) satisfiability of the lifted sentence is checked by growing the (initially unknown) compressed domain until a satisfying structure is found. The key issue is to ensure that this satisfying structure can always be expanded into an uncompressed structure that satisfies the original sentence to be satisfied. We present an adequate translation for sentences in typed first-order logic extended with aggregates. Our experimental evaluation shows large speedups for generative configuration problems. The method also has applications in the verification of software operating on complex data structures. Our results justify further research in automatic translation of sentences for symmetry reduction.