Weisfeiler-Leman struggles with graph isomorphism; enhanced architectures improve generalization.
problem Graph isomorphism problem and limited expressivity of 1-WL. method Augmenting 1-WL and MPNNs with subgraph information, employing margin theory, and introducing provable generalization kernels. result Increased expressivity of graph neural networks and kernels does not necessarily correlate with improved generalization performance.
PathNNs improve graph neural networks by distinguishing non-isomorphic graphs.
problem Limitations of standard GNNs in distinguishing non-isomorphic graphs.
method Proposes PathNNs that aggregate paths to update node representations.
result Two variants of PathNNs are strictly more powerful than 1-WL algorithm.
In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically -- showing promising results. The following work investigates GNNs from a theoretical…
ISP improves GNN expressivity by stratifying nodes based on graph invariants.
problem Graph Neural Networks struggle with expressivity and structural heterogeneity.
method Invariant-Stratified Propagation (ISP) using ISP-WL and ISPGNN.
result ISP achieves enhanced expressivity beyond 1-WL, with theoretical guarantees and practical improvements.
Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are indistinguishable by the 1-WL test (Morris et al. 2018; Xu et al. 2019). Unfortunately, many s…
ESAN improves graph neural networks by processing subgraphs.
problem Limitations of MPNNs in graph isomorphism.
method ESAN represents graphs as sets of subgraphs and processes them with equivariant architectures.
result ESAN increases the expressive power of GNNs and more expressive architectures.
The paper connects GNNs to VC dimension theory to study their generalization performance.
problem Understanding GNNs' ability to make meaningful predictions beyond the training set.
method Using Vapnik-Chervonenkis (VC) dimension theory in two settings: no upper bound on graph order and known upper bound.
result Tight connections between GNNs' bitlength, number of colors, and VC dimension in different settings.
PatchGT uses non-trainable graph patches to improve graph representation learning.
problem Learning high-level information in graph tasks with direct Transformer models.
method PatchGT segments graphs into non-trainable patches, uses GNN for patch-level learning, and Transformer for graph-level learning.
result PatchGT achieves higher expressiveness and competitive performance on benchmark datasets.
Study extends GNN VC dimension bounds to Pfaffian activation functions.
problem Bounding GNN VC dimension for new activation functions.
method Pfaffian function theory applied to GNNs with sigmoid and hyperbolic tangent activations.
result Bounds on GNN VC dimension for various architectures and graph properties.
Enhances GNNs to better capture local graph structures.
problem Limited expressiveness of GNNs due to star-shaped message passing.
method Extends local aggregation to subgraph patterns using GNN encoders.
result Significantly improved performance on graph ML tasks.
DE improves GNNs by distinguishing graph substructures, enhancing accuracy.
problem Limited expressive power of GNNs in representing graph substructures.
method Introduces Distance Encoding (DE) to assist GNNs in distinguishing graph substructures.
result DE distinguishes graph substructures that traditional GNNs cannot, improving accuracy.
New MPNNs match 2-WL, faster distinguishing graphs.
problem Improving graph neural network expressiveness.
method Introducing ℓ-walk MPNNs and second-order GNNs. result Walk MPNNs match 2-WL and can distinguish graphs faster.
New framework extends graph neural networks by improving expressiveness and space efficiency.
problem Limitations of existing graph neural networks, particularly in expressive power and space complexity.
method Proposed (k,t)-FWL+, a flexible and powerful framework that combines (k,t)-FWL and k-FWL+. result Demonstrated N2-FWL, a practical and theoretically sound instance of (k,t)-FWL+, achieving record-breaking results on ZINC-Subset. Examines algorithmic modeling across three cultures.
problem Tackles algorithmic modeling in different cultural contexts.
method Uses parametric regressions, interpretable algorithms, and complex algorithms.
result Extension of Leo Breiman's thesis to include cultural differences.
Playing repeated matrix games (RMG) while maximizing the cumulative returns is a basic method to evaluate multi-agent learning (MAL) algorithms. Previous work has shown that UCB, M3, S or Exp3 algorithms have good behaviours on average in RMG. Besides, hedging algorithms have been shown to be effective on predi…
Meta-algorithm selection aims to choose the best algorithm selector for a given problem instance.
problem Selecting the best algorithm selector for a specific problem instance.
method Apply algorithm selection to the selection of other algorithms (meta-algorithm selection).
result Meta-algorithm selection can be beneficial in some cases but faces challenges in solving the meta-level problem.
Proposes CLRS benchmark to evaluate algorithmic reasoning.
problem Difficulty in transferring results across publications due to targeted algorithmic data.
method Develops a comprehensive benchmark covering various algorithmic tasks.
result Demonstrates performance of algorithmic reasoning baselines on the CLRS benchmark.
Combines multiple bandit algorithms to create a nearly optimal single algorithm.
problem Designing a single bandit algorithm that performs nearly as well as the best individual algorithm in a stochastic environment.
method Develops two general corralling algorithms that achieve favorable regret guarantees.
result The regret of the corralling algorithms is no worse than the best individual algorithm's performance.
We propose accelerated randomized coordinate descent algorithms for stochastic optimization and online learning. Our algorithms have significantly less per-iteration complexity than the known accelerated gradient algorithms. The proposed algorithms for online learning have better regret performance than the known rando…
The exchange algorithm is studied for its convergence and asymptotic variance.
problem Theoretical limitations of the exchange algorithm in sampling from doubly-intractable distributions.
method Theoretical analysis of the exchange algorithm's convergence speed and asymptotic variance.
result The exchange algorithm converges at a geometric rate and satisfies a Central Limit Theorem.
Bayesian networks (BN) are used in a big range of applications but they have one issue concerning parameter learning. In real application, training data are always incomplete or some nodes are hidden. To deal with this problem many learning parameter algorithms are suggested foreground EM, Gibbs sampling and RBE algori…
No algorithm outperforms uniform sampling in A/B testing.
problem Identifying the best arm in A/B testing with fixed budget.
method Introducing consistent and stable algorithms, deriving lower bounds, and proving optimality of uniform sampling.
result No algorithm performs better than uniform sampling in A/B testing.
This review article surveys data augmentation MCMC algorithms.
problem Sampling from intractable probability distributions.
method Comprehensive study of DA MCMC algorithms, their convergence properties, and acceleration strategies.
result Synthesizes recent developments and provides insights for researchers.
Bayesian learning rule unifies and generalizes various machine learning algorithms.
problem Machine learning algorithms are diverse and not always understood.
method Bayesian principles and natural gradients are used to derive algorithms.
result Derives a wide range of algorithms including classical and modern ones.
Algorithm design is a laborious process and often requires many iterations of ideation and validation. In this paper, we explore automating algorithm design and present a method to learn an optimization algorithm, which we believe to be the first method that can automatically discover a better algorithm. We approach th…
This review summarizes five Lasso optimization algorithms.
problem Optimizing the Lasso objective function.
method Five representative algorithms: ISTA, FISTA, CGDA, SLA, PFA.
result Comparison of convergence rates and strengths/weaknesses.
Neural networks mimic algorithms to solve complex problems.
problem Current machine learning methods struggle with generalisation and efficiency.
method Representing algorithms in a continuous space and adapting them to real-world problems.
result Neural networks can execute classical algorithms more efficiently.
Paper proposes a reinforcement learning framework for efficient hyper-parameter tuning of stochastic optimization algorithms.
problem Efficient tuning of hyper-parameters for stochastic optimization algorithms.
method Modeling hyper-parameter tuning as a Markov decision process and using policy gradient algorithms.
result The proposed framework significantly reduces the time required for hyper-parameter tuning compared to Bayesian optimization.
In this paper, we propose a convergent parallel best-response algorithm with the exact line search for the nondifferentiable nonconvex sparsity-regularized rank minimization problem. On the one hand, it exhibits a faster convergence than subgradient algorithms and block coordinate descent algorithms. On the other hand,…
Approximate probabilistic inference algorithms are central to many fields. Examples include sequential Monte Carlo inference in robotics, variational inference in machine learning, and Markov chain Monte Carlo inference in statistics. A key problem faced by practitioners is measuring the accuracy of an approximate infe…
New algorithms reduce bilevel optimization complexity to ε^(-1.5).
problem Efficiently solving bilevel optimization problems in machine learning.
method Proposed two new algorithms: one using momentum-based recursive iterations, the other using recursive gradient estimations.
result Achieved computational complexity of ε^(-1.5), significantly faster than previous methods.
The inverse-free extreme learning machine (ELM) algorithm proposed in [4] was based on an inverse-free algorithm to compute the regularized pseudo-inverse, which was deduced from an inverse-free recursive algorithm to update the inverse of a Hermitian matrix. Before that recursive algorithm was applied in [4], its impr…
Researchers analyze how algorithmic and implementation choices affect RL performance.
problem Difficulty in separating algorithmic and implementation differences in RL performance.
method Unified derivations through a single control-as-inference objective, categorizing algorithms as EM or KL minimization.
result Implementation details are co-adapted with algorithmic choices, some transferable across algorithms.
New bounds derived for KG algorithm's performance in finite time.
problem Best arm identification problem in multi-armed bandit.
method Theoretical analysis of finite-time performance, deriving bounds for sample allocation, error probability, and regret.
result Upper and lower bounds for the probability of error and simple regret of the KG algorithm.
Paper proves linear convergence of SCMS algorithm for directional data.
problem Identifying density ridges in directional data.
method Generalized SCMS algorithm to directional data, derived from SCGA with adaptive step size.
result Linear convergence of the proposed directional SCMS algorithm.
We resolve the fundamental problem of online decoding with general nth order ergodic Markov chain models. Specifically, we provide deterministic and randomized algorithms whose performance is close to that of the optimal offline algorithm even when latency is small. Our algorithms admit efficient implementation vi…
MLE and CVE are equivalent under exponential families, leading to faster and more stable EM algorithms.
problem Finding maximum likelihood estimators (MLE) efficiently and stably.
method Proved equivalence between MLE and CVE under exponential families, leading to an EM algorithm.
result EM algorithm achieves the same asymptotic variance as MLE and is faster and more stable.
New algorithm speeds up learning of graphical models.
problem Learning graphical models with sparse structure efficiently.
method Vertex-greedy score-based algorithm for learning DAGs.
result Polynomial runtime for learning DAG models.
The goal of data-driven algorithm design is to obtain high-performing algorithms for specific application domains using machine learning and data. Across many fields in AI, science, and engineering, practitioners will often fix a family of parameterized algorithms and then optimize those parameters to obtain good perfo…
The paper examines how algorithmic classification affects behavior and proposes democratizing stakes to mitigate predatory practices.
problem The impact of algorithmic classification on individual behavior and fairness in decision-making processes.
method Characterization of optimal classification by an algorithm designer and analysis of the effect of democratizing stakes.
result Optimal classification can lead to surprising behavior patterns, and democratizing stakes can mitigate predatory practices.
Run2Survive uses survival analysis for algorithm selection, outperforming traditional methods.
problem Handling censored runtime data in algorithm selection.
method Decision-theoretic approach leveraging survival analysis for censored data.
result Run2Survive outperforms state-of-the-art AS approaches in experiments.
IRT improves algorithm evaluation across datasets.
problem Evaluating the performance of algorithm portfolios.
method Modified IRT framework for evaluating algorithm portfolios across datasets.
result Richer characteristics of algorithm performance are revealed.
New algorithms improve machine learning performance with explicit regret bounds.
problem Improving machine learning performance with explicit regret bounds.
method Projection-based linear regression algorithms with a focus on modern machine-learning models and their algorithmic performance.
result Established a priori regret bounds with explicit λ-dependence.
The Kaczmarz algorithm is popular for iteratively solving an overdetermined system of linear equations. The traditional Kaczmarz algorithm can approximate the solution in few sweeps through the equations but a randomized version of the Kaczmarz algorithm was shown to converge exponentially and independent of number of …
The book explores alternatives to worst-case analysis for algorithm performance.
problem Providing strong worst-case guarantees for many algorithms is impossible.
method Surveying and detailing various nuanced analysis approaches.
result More nuanced analysis approaches are needed for fundamental problems.
Paper proposes an unsupervised feature selection algorithm with stability guarantees.
problem Feature selection for dimension reduction and interpretability.
method Proposes a novel unsupervised feature selection algorithm with stability guarantees.
result The algorithm has superior generalization performance and stable selected features.
Recently manifold learning algorithm for dimensionality reduction attracts more and more interests, and various linear and nonlinear, global and local algorithms are proposed. The key step of manifold learning algorithm is the neighboring region selection. However, so far for the references we know, few of which propos…
New hybrid RL algorithm outperforms model-free and model-based methods.
problem Improving reinforcement learning algorithms for MDPs.
method Combines model-free and model-based learning, with a PAC analysis.
result Outperforms both model-free and model-based methods in most cases.