Decision trees are highly interpretable models for solving classification problems in machine learning (ML). The standard ML algorithms for training decision trees are fast but generate suboptimal trees in terms of accuracy. Other discrete optimization models in the literature address the optimality problem but only work well on relatively small datasets. \cite{firat2020column} proposed a column-generation-based heuristic approach for learning decision trees. This approach improves scalability and can work with large datasets. In this paper, we describe improvements to this column generation approach. First, we modify the subproblem model to significantly reduce the number of subproblems in multiclass classification instances. Next, we show that the data-dependent constraints in the master problem are implied, and use them as cutting planes. Furthermore, we describe a separation model to generate data points for which the linear programming relaxation solution violates their corresponding constraints. We conclude by presenting computational results that show that these modifications result in better scalability.
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Private synthetic data sharing is preferred as it keeps the distribution and nuances of original data compared to summary statistics. The state-of-the-art methods adopt a select-measure-generate paradigm, but measuring large domain marginals still results in much error and allocating privacy budget iteratively is still difficult. To address these issues, our method employs a partition-based approach that effectively reduces errors and improves the quality of synthetic data, even with a limited privacy budget. Results from our experiments demonstrate the superiority of our method over existing approaches. The synthetic data produced using our approach exhibits improved quality and utility, making it a preferable choice for private synthetic data sharing.
Continual learning (CL) algorithms strive to acquire new knowledge while preserving prior information. However, this stability-plasticity trade-off remains a central challenge. This paper introduces a framework that dissects this trade-off, offering valuable insights into CL algorithms. The Readout-Decomposition of Activation Change (RDAC) framework first addresses the stability-plasticity dilemma and its relation to catastrophic forgetting. It relates learning-induced activation changes in the range of prior readouts to the degree of stability and changes in the null space to the degree of plasticity. In deep non-linear networks tackling split-CIFAR-110 tasks, the framework clarifies the stability-plasticity trade-offs of the popular regularization algorithms Synaptic intelligence (SI), Elastic-weight consolidation (EWC), and learning without Forgetting (LwF), and replay-based algorithms Gradient episodic memory (GEM), and data replay. GEM and data replay preserved stability and plasticity, while SI, EWC, and LwF traded off plasticity for stability. The inability of the regularization algorithms to maintain plasticity was linked to them restricting the change of activations in the null space of the prior readout. Additionally, for one-hidden-layer linear neural networks, we derived a gradient decomposition algorithm to restrict activation change only in the range of the prior readouts, to maintain high stability while not further sacrificing plasticity. Results demonstrate that the algorithm maintained stability without significant plasticity loss. The RDAC framework informs the behavior of existing CL algorithms and paves the way for novel CL approaches. Finally, it sheds light on the connection between learning-induced activation/representation changes and the stability-plasticity dilemma, also offering insights into representational drift in biological systems.
A physics-informed convolutional neural network is proposed to simulate two phase flow in porous media with time-varying well controls. While most of PICNNs in existing literatures worked on parameter-to-state mapping, our proposed network parameterizes the solution with time-varying controls to establish a control-to-state regression. Firstly, finite volume scheme is adopted to discretize flow equations and formulate loss function that respects mass conservation laws. Neumann boundary conditions are seamlessly incorporated into the semi-discretized equations so no additional loss term is needed. The network architecture comprises two parallel U-Net structures, with network inputs being well controls and outputs being the system states. To capture the time-dependent relationship between inputs and outputs, the network is well designed to mimic discretized state space equations. We train the network progressively for every timestep, enabling it to simultaneously predict oil pressure and water saturation at each timestep. After training the network for one timestep, we leverage transfer learning techniques to expedite the training process for subsequent timestep. The proposed model is used to simulate oil-water porous flow scenarios with varying reservoir gridblocks and aspects including computation efficiency and accuracy are compared against corresponding numerical approaches. The results underscore the potential of PICNN in effectively simulating systems with numerous grid blocks, as computation time does not scale with model dimensionality. We assess the temporal error using 10 different testing controls with variation in magnitude and another 10 with higher alternation frequency with proposed control-to-state architecture. Our observations suggest the need for a more robust and reliable model when dealing with controls that exhibit significant variations in magnitude or frequency.
Deep generative models are key-enabling technology to computer vision, text generation and large language models. Denoising diffusion probabilistic models (DDPMs) have recently gained much attention due to their ability to generate diverse and high-quality samples in many computer vision tasks, as well as to incorporate flexible model architectures and relatively simple training scheme. Quantum generative models, empowered by entanglement and superposition, have brought new insight to learning classical and quantum data. Inspired by the classical counterpart, we propose the quantum denoising diffusion probabilistic models (QuDDPM) to enable efficiently trainable generative learning of quantum data. QuDDPM adopts sufficient layers of circuits to guarantee expressivity, while introduces multiple intermediate training tasks as interpolation between the target distribution and noise to avoid barren plateau and guarantee efficient training. We demonstrate QuDDPM's capability in learning correlated quantum noise model and learning topological structure of nontrivial distribution of quantum data.
Support vector machines (SVMs) are widely used and constitute one of the best examined and used machine learning models for two-class classification. Classification in SVM is based on a score procedure, yielding a deterministic classification rule, which can be transformed into a probabilistic rule (as implemented in off-the-shelf SVM libraries), but is not probabilistic in nature. On the other hand, the tuning of the regularization parameters in SVM is known to imply a high computational effort and generates pieces of information that are not fully exploited, not being used to build a probabilistic classification rule. In this paper we propose a novel approach to generate probabilistic outputs for the SVM. The new method has the following three properties. First, it is designed to be cost-sensitive, and thus the different importance of sensitivity (or true positive rate, TPR) and specificity (true negative rate, TNR) is readily accommodated in the model. As a result, the model can deal with imbalanced datasets which are common in operational business problems as churn prediction or credit scoring. Second, the SVM is embedded in an ensemble method to improve its performance, making use of the valuable information generated in the parameters tuning process. Finally, the probabilities estimation is done via bootstrap estimates, avoiding the use of parametric models as competing approaches. Numerical tests on a wide range of datasets show the advantages of our approach over benchmark procedures.
We propose a new method, the continuous Galerkin method with globally and locally supported basis functions (CG-GL), to address the parametric robustness issues of reduced-order models (ROMs) by incorporating solution-based adaptivity with locally supported finite element basis functions. The CG-GL method combines the accuracy of locally supported basis functions with the efficiency of globally supported data-driven basis functions. Efficient output-based dual-weighted residual error estimates are derived and implemented for the CG-GL method and used to drive efficient online trial space adaptation. An empirical quadrature procedure is introduced for rapid evaluation of nonlinear terms that does not require retraining throughout the adaptation process. Two numerical experiments demonstrate the potential of the CG-GL method to produce accurate approximations with limited training and its tunable tradeoff between accuracy and computational cost.
We propose a novel modular inference approach combining two different generative models -- generative adversarial networks (GAN) and normalizing flows -- to approximate the posterior distribution of physics-based Bayesian inverse problems framed in high-dimensional ambient spaces. We dub the proposed framework GAN-Flow. The proposed method leverages the intrinsic dimension reduction and superior sample generation capabilities of GANs to define a low-dimensional data-driven prior distribution. Once a trained GAN-prior is available, the inverse problem is solved entirely in the latent space of the GAN using variational Bayesian inference with normalizing flow-based variational distribution, which approximates low-dimensional posterior distribution by transforming realizations from the low-dimensional latent prior (Gaussian) to corresponding realizations of a low-dimensional variational posterior distribution. The trained GAN generator then maps realizations from this approximate posterior distribution in the latent space back to the high-dimensional ambient space. We also propose a two-stage training strategy for GAN-Flow wherein we train the two generative models sequentially. Thereafter, GAN-Flow can estimate the statistics of posterior-predictive quantities of interest at virtually no additional computational cost. The synergy between the two types of generative models allows us to overcome many challenges associated with the application of Bayesian inference to large-scale inverse problems, chief among which are describing an informative prior and sampling from the high-dimensional posterior. We demonstrate the efficacy and flexibility of GAN-Flow on various physics-based inverse problems of varying ambient dimensionality and prior knowledge using different types of GANs and normalizing flows.
Autoregressive large language models (LLMs) compress knowledge from their training data through next-token conditional distributions. This limits tractable querying of this knowledge to start-to-end autoregressive sampling. However, many tasks of interest -- including sequence continuation, infilling, and other forms of constrained generation -- involve sampling from intractable posterior distributions. We address this limitation by using amortized Bayesian inference to sample from these intractable posteriors. Such amortization is algorithmically achieved by fine-tuning LLMs via diversity-seeking reinforcement learning algorithms: generative flow networks (GFlowNets). We empirically demonstrate that this distribution-matching paradigm of LLM fine-tuning can serve as an effective alternative to maximum-likelihood training and reward-maximizing policy optimization. As an important application, we interpret chain-of-thought reasoning as a latent variable modeling problem and demonstrate that our approach enables data-efficient adaptation of LLMs to tasks that require multi-step rationalization and tool use.
Application of deep learning methods to physical simulations such as CFD (Computational Fluid Dynamics), have been so far of limited industrial relevance. This paper demonstrates the development and application of a deep learning framework for real-time predictions of the impact of tip clearance variations on the aerodynamic performance of multi-stage axial compressors in gas turbines. The proposed C(NN)FD architecture is proven to be scalable to industrial applications, and achieves in real-time accuracy comparable to the CFD benchmark. The deployed model, is readily integrated within the manufacturing and build process of gas turbines, thus providing the opportunity to analytically assess the impact on performance and potentially reduce requirements for expensive physical tests.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
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