Performing inference in statistical models with an intractable likelihood is challenging, therefore, most likelihood-free inference (LFI) methods encounter accuracy and efficiency limitations. In this paper, we present the implementation of the LFI method Robust Optimisation Monte Carlo (ROMC) in the Python package ELFI. ROMC is a novel and efficient (highly-parallelizable) LFI framework that provides accurate weighted samples from the posterior. Our implementation can be used in two ways. First, a scientist may use it as an out-of-the-box LFI algorithm; we provide an easy-to-use API harmonized with the principles of ELFI, enabling effortless comparisons with the rest of the methods included in the package. Additionally, we have carefully split ROMC into isolated components for supporting extensibility. A researcher may experiment with novel method(s) for solving part(s) of ROMC without reimplementing everything from scratch. In both scenarios, the ROMC parts can run in a fully-parallelized manner, exploiting all CPU cores. We also provide helpful functionalities for (i) inspecting the inference process and (ii) evaluating the obtained samples. Finally, we test the robustness of our implementation on some typical LFI examples.
A structured variable selection problem is considered in which the covariates, divided into predefined groups, activate according to sparse patterns with few nonzero entries per group. Capitalizing on the concept of atomic norm, a composite norm can be properly designed to promote such exclusive group sparsity patterns. The resulting norm lends itself to efficient and flexible regularized optimization algorithms for support recovery, like the proximal algorithm. Moreover, an active set algorithm is proposed that builds the solution by successively including structure atoms into the estimated support. It is also shown that such an algorithm can be tailored to match more rigid structures than plain exclusive group sparsity. Asymptotic consistency analysis (with both the number of parameters as well as the number of groups growing with the observation size) establishes the effectiveness of the proposed solution in terms of signed support recovery under conventional assumptions. Finally, a set of numerical simulations further corroborates the results.
Shapley values have emerged as a widely accepted and trustworthy tool, grounded in theoretical axioms, for addressing challenges posed by black-box models like deep neural networks. However, computing Shapley values encounters exponential complexity in the number of features. Various approaches, including ApproSemivalue, KernelSHAP, and FastSHAP, have been explored to expedite the computation. We analyze the consistency of existing works and conclude that stochastic estimators can be unified as the linear transformation of importance sampling of feature subsets. Based on this, we investigate the possibility of designing simple amortized estimators and propose a straightforward and efficient one, SimSHAP, by eliminating redundant techniques. Extensive experiments conducted on tabular and image datasets validate the effectiveness of our SimSHAP, which significantly accelerates the computation of accurate Shapley values.
An ideal length-extrapolatable Transformer language model can handle sequences longer than the training length without any long sequence fine-tuning. Such long-context utilization capability highly relies on a flexible positional embedding design. Upon investigating the flexibility of existing large pre-trained Transformer language models, we find that the T5 family deserves a closer look, as its positional embeddings capture rich and flexible attention patterns. However, T5 suffers from the dispersed attention issue: the longer the input sequence, the flatter the attention distribution. To alleviate the issue, we propose two attention alignment strategies via temperature scaling. Our findings improve the long-context utilization capability of T5 on language modeling, retrieval, and multi-document question answering without any fine-tuning, suggesting that a flexible positional embedding design and attention alignment go a long way toward Transformer length extrapolation.\footnote{\url{//github.com/chijames/Attention-Alignment-Transformer-Length-Extrapolation}}
While different neural models often exhibit latent spaces that are alike when exposed to semantically related data, this intrinsic similarity is not always immediately discernible. Towards a better understanding of this phenomenon, our work shows how representations learned from these neural modules can be translated between different pre-trained networks via simpler transformations than previously thought. An advantage of this approach is the ability to estimate these transformations using standard, well-understood algebraic procedures that have closed-form solutions. Our method directly estimates a transformation between two given latent spaces, thereby enabling effective stitching of encoders and decoders without additional training. We extensively validate the adaptability of this translation procedure in different experimental settings: across various trainings, domains, architectures (e.g., ResNet, CNN, ViT), and in multiple downstream tasks (classification, reconstruction). Notably, we show how it is possible to zero-shot stitch text encoders and vision decoders, or vice-versa, yielding surprisingly good classification performance in this multimodal setting.
In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be especially complex since the samples are interdependent. To evaluate the performance of graph models, it is important to test them on diverse and meaningful distributional shifts. However, most graph benchmarks considering distributional shifts for node-level problems focus mainly on node features, while structural properties are also essential for graph problems. In this work, we propose a general approach for inducing diverse distributional shifts based on graph structure. We use this approach to create data splits according to several structural node properties: popularity, locality, and density. In our experiments, we thoroughly evaluate the proposed distributional shifts and show that they can be quite challenging for existing graph models. We also reveal that simple models often outperform more sophisticated methods on the considered structural shifts. Finally, our experiments provide evidence that there is a trade-off between the quality of learned representations for the base classification task under structural distributional shift and the ability to separate the nodes from different distributions using these representations.
When pretrained language models (LMs) are applied to discriminative tasks such as multiple-choice questions, they place probability mass on vocabulary tokens that aren't among the given answer choices. Spreading probability mass across multiple surface forms with identical meaning (such as "bath" and "bathtub") is thought to cause an underestimation of a model's true performance, referred to as the "surface form competition" (SFC) hypothesis. This has motivated the introduction of various probability normalization methods. However, many core questions remain unanswered. How do we measure SFC? Are there direct ways of reducing it, and does doing so improve task performance? We propose a mathematical formalism for SFC which allows us to quantify and bound its impact for the first time. We identify a simple method for reducing it -- namely, increasing probability mass on the given answer choices by a) including them in the prompt and b) using in-context learning with even just one example. We show this method eliminates the impact of SFC in the majority of instances. Our experiments on three diverse datasets and six LMs reveal several additional surprising findings. For example, both normalization and prompting methods for reducing SFC can be ineffective or even detrimental to task performance for some LMs. We conclude with practical insights for effectively prompting LMs for multiple-choice tasks.
Diffusion models have gained prominence in the image domain for their capabilities in data generation and transformation, achieving state-of-the-art performance in various tasks in both image and audio domains. In the rapidly evolving field of audio-based machine learning, safeguarding model integrity and establishing data copyright are of paramount importance. This paper presents the first watermarking technique applied to audio diffusion models trained on mel-spectrograms. This offers a novel approach to the aforementioned challenges. Our model excels not only in benign audio generation, but also incorporates an invisible watermarking trigger mechanism for model verification. This watermark trigger serves as a protective layer, enabling the identification of model ownership and ensuring its integrity. Through extensive experiments, we demonstrate that invisible watermark triggers can effectively protect against unauthorized modifications while maintaining high utility in benign audio generation tasks.
We construct an algorithm for the accurate solution of mixed integer convex quadratic programming, which is the problem of minimizing a convex quadratic function over mixed integer points in a polyhedron. Our algorithm is fixed parameter tractable with parameter the number of integer variables. In particular, when the number of integer variables is fixed, the running time of our algorithm is bounded by a polynomial of the size of the problem. To design our algorithm, we prove a number of fundamental structural and algorithmic results for mixed integer linear and quadratic programming.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
It is always well believed that modeling relationships between objects would be helpful for representing and eventually describing an image. Nevertheless, there has not been evidence in support of the idea on image description generation. In this paper, we introduce a new design to explore the connections between objects for image captioning under the umbrella of attention-based encoder-decoder framework. Specifically, we present Graph Convolutional Networks plus Long Short-Term Memory (dubbed as GCN-LSTM) architecture that novelly integrates both semantic and spatial object relationships into image encoder. Technically, we build graphs over the detected objects in an image based on their spatial and semantic connections. The representations of each region proposed on objects are then refined by leveraging graph structure through GCN. With the learnt region-level features, our GCN-LSTM capitalizes on LSTM-based captioning framework with attention mechanism for sentence generation. Extensive experiments are conducted on COCO image captioning dataset, and superior results are reported when comparing to state-of-the-art approaches. More remarkably, GCN-LSTM increases CIDEr-D performance from 120.1% to 128.7% on COCO testing set.