QSAR models struggle to predict activity cliffs, but graph isomorphism features improve AC-sensitivity.
problem QSAR models struggle to predict activity cliffs (ACs).
method Nine distinct QSAR models combining molecular representation methods and regression techniques.
result Graph isomorphism features improve AC-sensitivity.
This work analyzes how neural networks learn representations in actor-critic algorithms.
problem Theoretical support for neural AC algorithms is limited to linear function approximations.
method Mean-field analysis of a two-timescale learning AC algorithm with overparameterized networks.
result Neural AC finds the globally optimal policy at a sublinear rate in the continuous-time and infinite-width limiting regime.
The optimization of algorithm (hyper-)parameters is crucial for achieving peak performance across a wide range of domains, ranging from deep neural networks to solvers for hard combinatorial problems. The resulting algorithm configuration (AC) problem has attracted much attention from the machine learning community. Ho…
GE2E-AC improves accent classification by focusing on accent embeddings.
problem Training models to predict accent type can lead to learning irrelevant features.
method GE2E-AC trains models to extract accent embeddings, making them closer for the same accent class.
result GE2E-AC outperforms baseline models trained with conventional loss.
Paper proposes online learning for estimating AC network admittance matrix.
problem Missing or outdated information on power grid topology and parameters.
method Recursive identification algorithm using phasor measurements, enhanced with DOE for optimal data excitation.
result Improves on existing techniques and substantiated by numerical studies.
This work uses a SI-DNN to predict AC-OPF solutions efficiently.
problem Efficiently predicting AC-OPF solutions in real-time power systems.
method Sensitivity-Informed Deep Neural Network (SI-DNN) for AC-OPF.
result SI-DNN can predict AC-OPF solutions with better generalization and constraint satisfaction.
In this paper, we develop an online method that leverages machine learning to obtain feasible solutions to the AC optimal power flow (OPF) problem with negligible optimality gaps on extremely fast timescales (e.g., milliseconds), bypassing solving an AC OPF altogether. This is motivated by the fact that as the power gr…
ACE improves GFlowNet exploration efficiency by balancing complementary search strategies.
problem Efficient exploration of diverse high-probability regions in GFlowNets.
method Adaptive Complementary Exploration (ACE) trains a separate GFlowNet to search underexplored regions.
result Significantly improves approximation accuracy and diverse state discovery.
In this paper, we introduce Anomaly Contribution Explainer or ACE, a tool to explain security anomaly detection models in terms of the model features through a regression framework, and its variant, ACE-KL, which highlights the important anomaly contributors. ACE and ACE-KL provide insights in diagnosing which attribut…
ACE improves GBI for simulators by approximating cost functions, making inference more efficient.
problem Inference for misspecified simulators is overly restrictive.
method Amortized cost estimation (ACE) for Generalized Bayesian Inference (GBI).
result ACE provides accurate cost predictions and more efficient inference.
Detects and traces masterminds behind cryptocurrency pump-and-dump schemes.
problem Identifying and tracing the entities organizing cryptocurrency manipulation.
method Collects real-time data from social networks and cryptocurrency markets, constructs temporal attributed graphs, and uses GNN to identify masterminds.
result Achieves higher F1 scores and precision than state-of-the-art fraud detection methods, detects 438 masterminds.
ACS is an interactive framework for model-free selection with guaranteed error control.
problem Model-free selection with rigorous error control.
method Adaptive conformal selection with human-in-the-loop data exploration and new information incorporation.
result ACS provides concrete selection algorithms for various goals, including model update/selection, diversified selection, and incorporating new data.
Several dihedral angles prediction methods were developed for protein structure prediction and their other applications. However, distribution of predicted angles would not be similar to that of real angles. To address this we employed generative adversarial networks (GAN). Generative adversarial networks are composed …
We explore machine learning methods for AC Optimal Powerflow (ACOPF) - the task of optimizing power generation in a transmission network according while respecting physical and engineering constraints. We present two formulations of ACOPF as a machine learning problem: 1) an end-to-end prediction task where we directly…
Ultrasound diagnosis is routinely used in obstetrics and gynecology for fetal biometry, and owing to its time-consuming process, there has been a great demand for automatic estimation. However, the automated analysis of ultrasound images is complicated because they are patient-specific, operator-dependent, and machine-…
We construct a functor AC(−,−) from the category of path connected spaces X with a base point x to the category of simply connected spaces. The following are the main results of the paper: (i) If X is a Peano continuum then AC(X,x) is a cell-like Peano continuum; (ii) If X is n−dimensional then AC(X,x)…
Artificial neural network (ANN) provides superior accuracy for nonlinear alternating current (AC) state estimation (SE) in smart grid over traditional methods. However, research has discovered that ANN could be easily fooled by adversarial examples. In this paper, we initiate a new study of adversarial false data injec…
Paper proposes a fast data-driven AC-OPF method using sparse hybrid Gaussian processes.
problem Optimizing electricity generation and delivery under generation uncertainty in modern power grids.
method Data-driven approach using sparse hybrid Gaussian processes to model power flow equations.
result Shows up to two times faster and more accurate solutions compared to state-of-the-art methods.
A virtual knot that has a homologically trivial representative K in a thickened surface Σ×[0,1] is said to be an almost classical (AC) knot. K then bounds a Seifert surface F⊂Σ×[0,1]. Seifert surfaces of AC knots are useful for computing concordance invariants and slice ob…
Paper accelerates nonlinear mapping in online systems with lower time complexity.
problem Speeding up nonlinear mapping in online systems.
method Integrates an acceleration module into Dendrite Net (DD) to reduce time complexity.
result DD with AC has lower time complexity while maintaining nonlinear mapping and system identification properties.
This paper improves sample complexity for AC and NAC algorithms under Markovian sampling.
problem Improving sample complexity for actor-critic and natural actor-critic algorithms.
method Characterizes convergence rate and sample complexity under Markovian sampling and mini-batch data.
result Improves sample complexity for AC and NAC algorithms by orders of magnitude.
We construct monopoles in any asymptotically conical (AC) 3-manifold X with b2(X)=0. For sufficiently large mass, our construction covers an open set in the moduli space of monopoles. We also give a more general construction of Dirac monopoles in any AC manifold, which may be useful for generalizing our result t…
Develops a machine learning approach for solving AC-OPF problems.
problem Nonlinear and computationally demanding AC chance-constrained OPF problem.
method Uses Gaussian process regression to approximate AC power flow equations.
result Demonstrates competitive and promising results compared to state-of-the-art approaches.
We give a description of Gray AC^{\perp} manifolds (M,g) whose Ricci tensor has two eigenvalues of multiplicity 1 and dim M-1.
New quantum models unify Alexander and generalized Alexander polynomials for AC links.
problem Defining and distinguishing AC links and virtual knots.
method Generalizing AC links to virtual tangles and using quantum supergroups.
result Generalized Alexander polynomials are distinct from Alexander polynomials for AC links.
Mathematical Reinforcement Learning faces a 'Two-Hump' problem due to sparse rewards and a scarcity of intermediate 'hard-but-solvable' instances.
problem Mathematical search problems in Reinforcement Learning
method Novel data generation techniques and algorithmic enhancements
result Substantial performance improvements over previous baselines
New methods solve saddle point problems without line search.
problem Solving saddle point problems efficiently and adaptively.
method Auto-conditioned primal-dual hybrid gradient (AC-PDHG) and auto-conditioned ADMM (AC-ADMM) methods.
result Methods achieve optimal complexity and convergence guarantees.
Aspect-level sentiment classification (ASC) aims at identifying sentiment polarities towards aspects in a sentence, where the aspect can behave as a general Aspect Category (AC) or a specific Aspect Term (AT). However, due to the especially expensive and labor-intensive labeling, existing public corpora in AT-level are…
Improves neural network performance by enriching training dataset.
problem Achieving worst-case performance guarantees in neural networks.
method Adapting training dataset during training to reduce worst-case violations.
result Improved worst-case performance guarantees in neural networks.
ACE improves counterfactual explanations with fewer model queries.
problem Inefficient sampling for counterfactual explanations in machine learning models.
method Adaptive sampling combining Bayesian estimation and stochastic optimization.
result ACE achieves superior evaluation efficiency compared to state-of-the-art methods.
We study the {\it arc and curve} complex AC(S) of an oriented connected surface S of finite type with punctures. We show that if the surface is not a sphere with one, two or three punctures nor a torus with one puncture, then the simplicial automorphism group of AC(S) coincides with the natural image of the exten…
RW-based learning is vulnerable to the Pac-Man attack, which eliminates active RWs.
problem Vulnerability of RW-based learning to malicious behavior.
method Proposed the Average Crossing (AC) algorithm to prevent RW extinction.
result RW-based stochastic gradient descent remains convergent under AC, even in the presence of Pac-Man.
New example of non-Kähler soliton with Kähler-like behavior at infinity.
problem Constructing non-Kähler expanding gradient Ricci solitons.
method Asymptotically conical (AC) construction with Kähler tangent cone at infinity.
result Example of a non-Kähler soliton with a Kähler-like behavior at infinity.
The ACS criterion is verified for specific hypersurfaces in unit spheres.
problem Verifying the ACS criterion for minimal isoparametric hypersurfaces in unit spheres.
method Moment-relaxation technique and explicit extremal configurations.
result The ACS condition holds under specific conditions on principal curvatures.
Cluster analysis aims at separating patients into phenotypically heterogenous groups and defining therapeutically homogeneous patient subclasses. It is an important approach in data-driven disease classification and subtyping. Acute coronary syndrome (ACS) is a syndrome due to sudden decrease of coronary artery blood f…
Relation extraction models suffer from limited qualified training data. Using human annotators to label sentences is too expensive and does not scale well especially when dealing with large datasets. In this paper, we use Auxiliary Classifier Generative Adversarial Networks (AC-GANs) to generate high-quality relational…
Unified framework for machine learning interatomic potentials.
problem Designing and optimizing machine learning models for interatomic potentials.
method Unified mathematical framework unifying ACE and NequIP, providing a systematic design space.
result Demonstrated through ablation studies, critical design choices for high accuracy.
Connectedness proved for Zd actions on 1D manifolds by C2 diffeomorphisms.
problem Connectedness of Zd actions by C2 diffeomorphisms on 1D manifolds. method Proved connectedness through continuous paths of C1+ac diffeomorphisms. result Connectedness of Zd actions by C2 diffeomorphisms on 1D manifolds. We consider the deformation theory of asymptotically conical (AC) and of conically singular (CS) G2-manifolds. In the AC case, we show that if the rate of convergence ν to the cone at infinity is generic in a precise sense and lies in the interval (−4,0), then the moduli space is smooth and we compute its dimen…
Paper uses Gaussian processes to solve AC-OPF with renewable uncertainty.
problem Optimizing power grids with fluctuating renewable sources.
method Data-driven approach using Gaussian processes.
result Efficiently solves chance-constrained AC-OPF with uncertainty.
Anomaly detection is one of the frequent and important subroutines deployed in large-scale data processing systems. Even being a well-studied topic, existing techniques for unsupervised anomaly detection require storing significant amounts of data, which is prohibitive from memory and latency perspective. In the big-da…
A new algorithm reduces communication in decentralized optimization.
problem Reducing communication in decentralized optimization problems.
method Adaptive randomized communication-efficient algorithmic framework that periodically tracks disagreement error and selects influential edges for communication.
result Strong theoretical convergence guarantees and performance quantification under standard assumptions.
Study compares GNNs and classical molecular featurisations for molecular property and cliff prediction.
problem Comparing GNNs and classical featurisations for molecular property and cliff prediction.
method Systematic exploration and comparison of PDVs, ECFPs, and GNNs; introduction of substructure pooling.
result Sort & Slice outperforms hash-based folding in ECFP vectorization.
We revisit a recently introduced agent model[ACS {\bf 11}, 99 (2008)], where economic growth is a consequence of education (human capital formation) and innovation, and investigate the influence of the agents' social network, both on an agent's decision to pursue education and on the output of new ideas. Regular and ra…
Paper analyzes convergence rates of two time-scale AC and NAC algorithms.
problem Finite-sample convergence rate analysis of two time-scale AC and NAC algorithms.
method Developed novel techniques for bias error and convergence rate analysis.
result Established non-asymptotic convergence rates for two time-scale AC and NAC.
ACE models allow flexible conditioning and prediction of latent variables.
problem Lack of flexibility in conditioning and prediction of latent variables in probabilistic models.
method Introduces Amortized Conditioning Engine (ACE) that explicitly represents latent variables and allows runtime conditioning and prediction.
result ACE models outperform existing methods in diverse tasks like image completion, classification, Bayesian optimization, and simulation-based inference.
This paper improves convergence bounds for AC and NAC algorithms with function approximation.
problem Improving convergence bounds for actor-critic algorithms with function approximation.
method Non-asymptotic analysis of AC and NAC algorithms with compatible function approximation.
result Eliminates the term ε_critic from the error bounds while maintaining best known sample complexities.
New ACE cost function encourages diversity in neural networks.
problem Training multiple classifiers with controlled diversity.
method Mathematical derivation and gradient control.
result ACE yields better ensemble results than vanilla.