huashen218/convxai-cia-dataset huggingface dataset:
DISSECT: Disentangled Simultaneous Explanations via Concept Traversals
Keywords: Explainability, Interpretability, Counterfactual generation, Generative Adversarial Network, Variational Autoencoder

Explaining deep learning model inferences is a promising venue for scientific understanding, improving safety, uncovering hidden biases, evaluating fairness, and beyond, as argued by many scholars. One of the principal benefits of counterfactual explanations is allowing users to explore "what-if" scenarios through what does not and cannot exist in the data, a quality that many other forms of explanation such as heatmaps and influence functions are inherently incapable of doing. However, most previous work on generative explainability cannot disentangle important concepts effectively, produces unrealistic examples, or fails to retain relevant information. We propose a novel approach, DISSECT, that jointly trains a generator, a discriminator, and a concept disentangler to overcome such challenges using little supervision. DISSECT generates Concept Traversals (CTs), defined as a sequence of generated examples with increasing degrees of concepts that influence a classifier's decision. By training a generative model from a classifier's signal, DISSECT offers a way to discover a classifier's inherent "notion" of distinct concepts automatically rather than rely on user-predefined concepts. We show that DISSECT produces CTs that (1) disentangle several concepts, (2) are influential to a classifier's decision and are coupled to its reasoning due to joint training (3), are realistic, (4) preserve relevant information, and (5) are stable across similar inputs. We validate DISSECT on several challenging synthetic and realistic datasets where previous methods fall short of satisfying desirable criteria for interpretability and show that it performs consistently well. Finally, we present experiments showing applications of DISSECT for detecting potential biases of a classifier and identifying spurious artifacts that impact predictions.
Heteroscedastic Temporal Variational Autoencoder For Irregularly Sampled Time Series
Keywords: irregular sampling, uncertainty, imputation, interpolation, multivariate time series, missing data, variational autoencoder

Irregularly sampled time series commonly occur in several domains where they present a significant challenge to standard deep learning models. In this paper, we propose a new deep learning framework for probabilistic interpolation of irregularly sampled time series that we call the Heteroscedastic Temporal Variational Autoencoder (HeTVAE). HeTVAE includes a novel input layer to encode information about input observation sparsity, a temporal VAE architecture to propagate uncertainty due to input sparsity, and a heteroscedastic output layer to enable variable uncertainty in the output interpolations.  Our results show that the proposed architecture is better able to reflect variable uncertainty through time due to sparse and irregular sampling than a range of baseline and traditional models, as well as recently proposed deep latent variable models that use homoscedastic output layers.
A Neural Tangent Kernel Perspective of Infinite Tree Ensembles
Keywords: Neural Tangent Kernel, Tree Ensemble, Soft Tree

In practical situations, the tree ensemble is one of the most popular models along with neural networks. A soft tree is a variant of a decision tree. Instead of using a greedy method for searching splitting rules, the soft tree is trained using a gradient method in which the entire splitting operation is formulated in a differentiable form. Although ensembles of such soft trees have been used increasingly in recent years, little theoretical work has been done to understand their behavior. By considering an ensemble of infinite soft trees, this paper introduces and studies the Tree Neural Tangent Kernel (TNTK), which provides new insights into the behavior of the infinite ensemble of soft trees. Using the TNTK, we theoretically identify several non-trivial properties, such as global convergence of the training, the equivalence of the oblivious tree structure, and the degeneracy of the TNTK induced by the deepening of the trees.
AlphaZero-based Proof Cost Network to Aid Game Solving
Keywords: Monte-Carlo Tree Search, Solving Games, AlphaZero, Deep Reinforcement Learning

The AlphaZero algorithm learns and plays games without hand-crafted expert knowledge. However, since its objective is to play well, we hypothesize that a better objective can be defined for the related but separate task of solving games. This paper proposes a novel approach to solving problems by modifying the training target of the AlphaZero algorithm, such that it prioritizes solving the game quickly, rather than winning. We train a Proof Cost Network (PCN), where proof cost is a heuristic that estimates the amount of work required to solve problems. This matches the general concept of the so-called proof number from proof number search, which has been shown to be well-suited for game solving. We propose two specific training targets. The first finds the shortest path to a solution, while the second estimates the proof cost. We conduct experiments on solving 15x15 Gomoku and 9x9 Killall-Go problems with both MCTS-based and FDFPN solvers. Comparisons between using AlphaZero networks and PCN as heuristics show that PCN can solve more problems.
Bayesian Framework for Gradient Leakage
Keywords: federated learning, privacy, gradient leakage

Federated learning is an established method for training machine learning models without sharing training data. However, recent work has shown that it cannot guarantee data privacy as shared gradients can still leak sensitive information. To formalize the problem of gradient leakage, we propose a theoretical framework that enables, for the first time, analysis of the Bayes optimal adversary phrased as an optimization problem. We demonstrate that existing leakage attacks can be seen as approximations of this optimal adversary with different assumptions on the probability distributions of the input data and gradients. Our experiments confirm the effectiveness of the Bayes optimal adversary when it has knowledge of the underlying distribution. Further, our experimental evaluation shows that several existing heuristic defenses are not effective against stronger attacks, especially early in the training process. Thus, our findings indicate that the construction of more effective defenses and their evaluation remains an open problem.
Universalizing Weak Supervision
Keywords: Weak supervision

Weak supervision (WS) frameworks are a popular way to bypass hand-labeling large datasets for training data-hungry models.
        These approaches synthesize multiple noisy but cheaply-acquired estimates of labels into a set of high-quality pseudo-labels for downstream training. However, the synthesis technique is specific to a particular kind of label, such as binary labels or sequences, and each new label type requires manually designing a new synthesis algorithm. Instead, we propose a universal technique that enables weak supervision over any label type while still offering desirable properties, including practical flexibility, computational efficiency, and theoretical guarantees. We apply this technique to important problems previously not tackled by WS frameworks including learning to rank, regression, and learning in hyperbolic space. Theoretically, our synthesis approach produces a consistent estimators for learning some challenging but important generalizations of the exponential family model. Experimentally, we validate our framework and show improvement over baselines in diverse settings including real-world learning-to-rank and regression problems along with learning on hyperbolic manifolds.
Maximum n-times Coverage for Vaccine Design
Keywords: computational biology, vaccine design, COVID-19, maximum n-times coverage, combinatorial optimization, integer linear programming

We introduce the maximum $n$-times coverage problem that selects $k$ overlays to maximize the summed coverage of weighted elements, where each element must be covered at least $n$ times. We also define the min-cost $n$-times coverage problem where the objective is to select the minimum set of overlays such that the sum of the weights of elements that are covered at least $n$ times is at least $\tau$. Maximum $n$-times coverage is a generalization of the multi-set multi-cover problem, is NP-complete, and is not submodular. We introduce two new practical solutions for $n$-times coverage based on integer linear programming and sequential greedy optimization. We show that maximum $n$-times coverage is a natural way to frame peptide vaccine design, and find that it produces a pan-strain COVID-19 vaccine design that is superior to 29 other published designs in predicted population coverage and the expected number of peptides displayed by each individual's HLA molecules.
KL Guided Domain Adaptation
Keywords: domain adaptation, invariant representation

Domain adaptation is an important problem and often needed for real-world applications. In this problem, instead of i.i.d. training and testing datapoints, we assume that the source (training) data and the target (testing) data have different distributions. With that setting, the empirical risk minimization training procedure often does not perform well, since it does not account for the change in the distribution. A common approach in the domain adaptation literature is to learn a representation of the input that has the same (marginal) distribution over the source and the target domain. However, these approaches often require additional networks and/or optimizing an adversarial (minimax) objective, which can be very expensive or unstable in practice. To improve upon these marginal alignment techniques, in this paper, we first derive a generalization bound for the target loss based on the training loss and the reverse Kullback-Leibler (KL) divergence between the source and the target representation distributions. Based on this bound, we derive an algorithm that minimizes the KL term to obtain a better generalization to the target domain. We show that with a probabilistic representation network, the KL term can be estimated efficiently via minibatch samples without any additional network or a minimax objective. This leads to a theoretically sound alignment method which is also very efficient and stable in practice. Experimental results also suggest that our method outperforms other representation-alignment approaches.
From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awareness
Keywords: Graph Neural Networks, Expressiveness, Message Passing Neural Network, Graph Classification

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node’s representation is computed recursively by aggregating representations (“messages”) from its immediate neighbors akin to a star-shaped pattern. MPNNs are appealing for being efficient and scalable, however their expressiveness is upper-bounded by the 1st-order Weisfeiler-Lehman isomorphism test (1-WL). In response, prior works propose highly expressive models at the cost of scalability and sometimes generalization performance. Our work stands between these two regimes: we introduce a general framework to uplift any MPNN to be more expressive, with limited scalability overhead and greatly improved practical performance. We achieve this by extending local aggregation in MPNNs from star patterns to general subgraph patterns (e.g., k-egonets): in our framework, each node representation is computed as the encoding of a surrounding induced subgraph rather than encoding of immediate neighbors only (i.e. a star). We choose the subgraph encoder to be a GNN (mainly MPNNs, considering scalability) to design a general framework that serves as a wrapper to uplift any GNN. We call our proposed method GNN-AK (GNN As Kernel), as the framework resembles a convolutional neural network by replacing the kernel with
        GNNs. Theoretically, we show that our framework is strictly more powerful than 1&2-WL, and is not less powerful than 3-WL. We also design subgraph sampling strategies which greatly reduce memory footprint and improve speed while maintaining performance. Our method sets new state-of-the-art performance by large margins for several well-known graph ML tasks; specifically, 0.08 MAE on ZINC,
        74.79% and 86.887% accuracy on CIFAR10 and PATTERN respectively.
NETWORK INSENSITIVITY TO PARAMETER NOISE VIA PARAMETER ATTACK DURING TRAINING
Keywords: parameter attack, adversarial attack, neural network, deep learning, optimisation, neuromorphic processor

Neuromorphic neural network processors, in the form of compute-in-memory crossbar arrays of memristors, or in the form of subthreshold analog and mixed-signal ASICs, promise enormous advantages in compute density and energy efficiency for NN-based ML tasks. However, these technologies are prone to computational non-idealities, due to process variation and intrinsic device physics. This degrades the task performance of networks deployed to the processor, by introducing parameter noise into the deployed model. While it is possible to calibrate each device, or train networks individually for each processor, these approaches are expensive and impractical for commercial deployment. Alternative methods are therefore needed to train networks that are inherently robust against parameter variation, as a consequence of network architecture and parameters. We present a new network training algorithm that attacks network parameters during training, and promotes robust performance during inference in the face of random parameter variation. Our approach introduces a loss regularization term that penalizes the susceptibility of a network to weight perturbation. We compare against previous approaches for producing parameter insensitivity such as dropout, weight smoothing and introducing parameter noise during training. We show that our approach produces models that are more robust to random mismatch-induced parameter variation as well as to targeted parameter variation. Our approach finds minima in flatter locations in the weight-loss landscape compared with other approaches, highlighting that the networks found by our technique are less sensitive to parameter perturbation. Our work provides an approach to deploy neural network architectures to inference devices that suffer from computational non-idealities, with minimal loss of performance. This method will enable deployment at scale to novel energy-efficient computational substrates, promoting cheaper and more prevalent edge inference.
Gradient Importance Learning for Incomplete Observations
Keywords: Missing Data, Reinforcement Learning, Representation Learning

Though recent works have developed methods that can generate estimates (or imputations) of the missing entries in a dataset to facilitate downstream analysis, most depend on assumptions that may not align with real-world applications and could suffer from poor performance in subsequent tasks such as classification. This is particularly true if the data have large missingness rates or a small sample size. More importantly, the imputation error could be propagated into the prediction step that follows, which may constrain the capabilities of the prediction model. In this work, we introduce the gradient importance learning (GIL) method to train multilayer perceptrons (MLPs) and long short-term memories (LSTMs) to directly perform inference from inputs containing missing values without imputation. Specifically, we employ reinforcement learning (RL) to adjust the gradients used to train these models via back-propagation. This allows the model to exploit the underlying information behind missingness patterns. We test the approach on real-world time-series (i.e., MIMIC-III), tabular data obtained from an eye clinic, and a standard dataset (i.e., MNIST), where our imputation-free predictions outperform the traditional two-step imputation-based predictions using state-of-the-art imputation methods.
Do Users Benefit From Interpretable Vision? A User Study, Baseline, And Dataset
Keywords: Interpretable ML, User Study, Human Subject Evaluation, Invertible Neural Networks, Convolutional Networks

A variety of methods exist to explain image classification models. However, whether they provide any benefit to users over simply comparing various inputs and the model’s respective predictions remains unclear. We conducted a user study (N=240) to test how such a baseline explanation technique performs against concept-based and counterfactual explanations. To this end, we contribute a synthetic dataset generator capable of biasing individual attributes and quantifying their relevance to the model. In a study, we assess if participants can identify the relevant set of attributes compared to the ground-truth. Our results show that the baseline outperformed concept-based explanations. Counterfactual explanations from an invertible neural network performed similarly as the baseline. Still, they allowed users to identify some attributes more accurately. Our results highlight the importance of measuring how well users can reason about biases of a model, rather than solely relying on technical evaluations or proxy tasks. We open-source our study and dataset so it can serve as a blue-print for future studies.
Understanding the Variance Collapse of SVGD in High Dimensions
Keywords: Stein Variational Gradient Descent, Approximate Inference, Particle-based Variational Inference

Stein variational gradient descent (SVGD) is a deterministic inference algorithm that evolves a set of particles to fit a target distribution. Despite its computational efficiency, SVGD often underestimates the variance of the target distribution in high dimensions. In this work we attempt to explain the variance collapse in SVGD. On the qualitative side, we compare the SVGD update with gradient descent on the maximum mean discrepancy (MMD) objective; we observe that the variance collapse phenomenon relates to the bias from deterministic updates present in the "driving force" of SVGD, and empirically verify that removal of such bias leads to more accurate variance estimation. On the quantitative side, we demonstrate that the variance collapse of SVGD can be accurately predicted in the proportional asymptotic limit, i.e., when the number of particles $n$ and dimensions $d$ diverge at the same rate. In particular, for learning high-dimensional isotropic Gaussians, we derive the exact equilibrium variance for both SVGD and MMD-descent under certain near-orthogonality assumption on the converged particles, and confirm that SVGD suffers from the "curse of dimensionality".
Generalisation in Lifelong Reinforcement Learning through Logical Composition
Keywords: Reinforcement Learning, Lifelong learning, Multi task learning, Transfer learning, Logical composition, Deep Reinforcement Learning

We leverage logical composition in reinforcement learning to create a framework that enables an agent to autonomously determine whether a new task can be immediately solved using its existing abilities, or whether a task-specific skill should be learned. In the latter case, the proposed algorithm also enables the agent to learn the new task faster by generating an estimate of the optimal policy. Importantly, we provide two main theoretical results: we bound the performance of the transferred policy on a new task, and we give bounds on the necessary and sufficient number of tasks that need to be learned throughout an agent's lifetime to generalise over a distribution. We verify our approach in a series of experiments, where we perform transfer learning both after learning a set of base tasks, and after learning an arbitrary set of tasks. We also demonstrate that, as a side effect of our transfer learning approach, an agent can produce an interpretable Boolean expression of its understanding of the current task. Finally, we demonstrate our approach in the full lifelong setting where an agent receives tasks from an unknown distribution. Starting from scratch, an agent is able to quickly generalise over the task distribution after learning only a few tasks, which are sub-logarithmic in the size of the task space.
PolyLoss: A Polynomial Expansion Perspective of Classification Loss Functions
Keywords: classification, computer vision, loss

Cross-entropy loss and focal loss are the most common choices when training deep neural networks for classification problems. Generally speaking, however, a good loss function can take on much more flexible forms, and should be tailored for different tasks and datasets. Motivated by how functions can be approximated via Taylor expansion, we propose a simple framework, named PolyLoss, to view and design loss functions as a linear combination of polynomial functions. Our PolyLoss allows the importance of different polynomial bases to be easily adjusted depending on the targeting tasks and datasets, while naturally subsuming the aforementioned cross-entropy loss and focal loss as special cases. Extensive experimental results show that the optimal choice within the PolyLoss is indeed dependent on the task and dataset. Simply by introducing one extra hyperparameter and adding one line of code, our Poly-1 formulation outperforms the cross-entropy loss and focal loss on 2D image classification, instance segmentation, object detection, and 3D object detection tasks, sometimes by a large margin.
Improving Non-Autoregressive Translation Models Without Distillation
Keywords: Natural Language Processing, Deep Learning, Non-autoregressive Machine Translation, Transformer, Distillation

Transformer-based autoregressive (AR) machine translation models have achieved significant performance improvements, nearing human-level accuracy on some languages. The AR framework translates one token at a time which can be time consuming, especially for long sequences. To accelerate inference, recent work has been exploring non-autoregressive (NAR) approaches that translate blocks of tokens in parallel. Despite significant progress, leading NAR models still lag behind their AR counterparts, and only become competitive when trained with distillation. In this paper we investigate possible reasons behind this performance gap, namely, the indistinguishability of tokens, and mismatch between training and inference. We then propose the Conditional Masked Language Model with Correction (CMLMC) that addresses these problems. Empirically, we show that CMLMC achieves state-of-the-art NAR performance when trained on raw data without distillation and approaches AR performance on multiple datasets. Full code for this work will be released at the time of publication.