nils-herrmann/clean_scirepeval huggingface dataset:
On Inductive Biases for Heterogeneous Treatment Effect Estimation
Authors: Alicia Curth, Mihaela van der Schaar

We investigate how to exploit structural similarities of an individual's potential outcomes (POs) under different treatments to obtain better estimates of conditional average treatment effects in finite samples. Especially when it is unknown whether a treatment has an effect at all, it is natural to hypothesize that the POs are similar -- yet, some existing strategies for treatment effect estimation employ regularization schemes that implicitly encourage heterogeneity even when it does not exist and fail to fully make use of shared structure. In this paper, we investigate and compare three end-to-end learning strategies to overcome this problem -- based on regularization, reparametrization and a flexible multi-task architecture -- each encoding inductive bias favoring shared behavior across POs. To build understanding of their relative strengths, we implement all strategies using neural networks and conduct a wide range of semi-synthetic experiments. We observe that all three approaches can lead to substantial improvements upon numerous baselines and gain insight into performance differences across various experimental settings.
Symplectic Adjoint Method for Exact Gradient of Neural ODE with Minimal Memory
Authors: Takashi Matsubara, Yuto Miyatake, Takaharu Yaguchi

A neural network model of a differential equation, namely neural ODE, has enabled the learning of continuous-time dynamical systems and probabilistic distributions with high accuracy. The neural ODE uses the same network repeatedly during a numerical integration. The memory consumption of the backpropagation algorithm is proportional to the number of uses times the network size. This is true even if a checkpointing scheme divides the computation graph into sub-graphs. Otherwise, the adjoint method obtains a gradient by a numerical integration backward in time. Although this method consumes memory only for a single network use, it requires high computational cost to suppress numerical errors. This study proposes the symplectic adjoint method, which is an adjoint method solved by a symplectic integrator. The symplectic adjoint method obtains the exact gradient (up to rounding error) with memory proportional to the number of uses plus the network size. The experimental results demonstrate that the symplectic adjoint method consumes much less memory than the naive backpropagation algorithm and checkpointing schemes, performs faster than the adjoint method, and is more robust to rounding errors.
Dimensionality Reduction for Wasserstein Barycenter
Authors: Zachary Izzo, Sandeep Silwal, Samson Zhou

The Wasserstein barycenter is a geometric construct which captures the notion of centrality among probability distributions, and which has found many applications in machine learning. However, most algorithms for finding even an approximate barycenter suffer an exponential dependence on the dimension $d$ of the underlying space of the distributions. In order to cope with this ``curse of dimensionality,'' we study dimensionality reduction techniques for the Wasserstein barycenter problem. When the barycenter is restricted to support of size $n$, we show that randomized dimensionality reduction can be used to map the problem to a space of dimension $O(\log n)$ independent of both $d$ and $k$, and that \emph{any} solution found in the reduced dimension will have its cost preserved up to arbitrary small error in the original space. We provide matching upper and lower bounds on the size of the reduced dimension, showing that our methods are optimal up to constant factors. We also provide a coreset construction for the Wasserstein barycenter problem that significantly decreases the number of input distributions. The coresets can be used in conjunction with random projections and thus further improve computation time. Lastly, our experimental results validate the speedup provided by dimensionality reduction while maintaining solution quality.
On the Variance of the Fisher Information for Deep Learning
Authors: Alexander Soen, Ke Sun

In the realm of deep learning, the Fisher information matrix (FIM) gives novel insights and useful tools to characterize the loss landscape, perform second-order optimization, and build geometric learning theories. The exact FIM is either unavailable in closed form or too expensive to compute. In practice, it is almost always estimated based on empirical samples.  We investigate two such estimators based on two equivalent representations of the FIM --- both unbiased and consistent. Their estimation quality is naturally gauged by their variance given in closed form. We analyze how the parametric structure of a deep neural network can affect the variance. The meaning of this variance measure and its upper bounds are then discussed in the context of deep learning.
Directed Graph Contrastive Learning
Authors: Zekun Tong, Yuxuan Liang, Henghui Ding, Yongxing Dai, Xinke Li, Changhu Wang

Graph Contrastive Learning (GCL) has emerged to learn generalizable representations from contrastive views. However, it is still in its infancy with two concerns: 1) changing the graph structure through data augmentation to generate contrastive views may mislead the message passing scheme, as such graph changing action deprives the intrinsic graph structural information, especially the directional structure in directed graphs; 2) since GCL usually uses predefined contrastive views with hand-picking parameters, it does not take full advantage of the contrastive information provided by data augmentation, resulting in incomplete structure information for models learning. In this paper, we design a directed graph data augmentation method called Laplacian perturbation and theoretically analyze how it provides contrastive information without changing the directed graph structure. Moreover, we present a directed graph contrastive learning framework, which dynamically learns from all possible contrastive views generated by Laplacian perturbation. Then we train it using multi-task curriculum learning to progressively learn from multiple easy-to-difficult contrastive views. We empirically show that our model can retain more structural features of directed graphs than other GCL models because of its ability to provide complete contrastive information. Experiments on various benchmarks reveal our dominance over the state-of-the-art approaches.
Learning Barrier Certificates: Towards Safe Reinforcement Learning with Zero Training-time Violations
Authors: Yuping Luo, Tengyu Ma

Training-time safety violations have been a major concern when we deploy reinforcement learning algorithms in the real world.
This paper explores the possibility of safe RL algorithms with zero training-time safety violations in the challenging setting where we are only given a safe but trivial-reward initial policy without any prior knowledge of the dynamics and additional offline data.
We propose an algorithm, Co-trained Barrier Certificate for Safe RL (CRABS), which iteratively learns barrier certificates, dynamics models, and policies. The barrier certificates are learned via adversarial training and ensure the policy's safety assuming calibrated learned dynamics. We also add a regularization term to encourage larger certified regions to enable better exploration. 
Empirical simulations show that zero safety violations are already challenging for a suite of simple environments with only 2-4 dimensional state space, especially if high-reward policies have to visit regions near the safety boundary.  Prior methods require hundreds of violations to achieve decent rewards on these tasks,  whereas our proposed algorithms incur zero violations.
Efficient Learning of Discrete-Continuous Computation Graphs
Authors: David Friede, Mathias Niepert

Numerous models for supervised and reinforcement learning benefit from combinations of discrete and continuous model components. End-to-end learnable discrete-continuous models are compositional, tend to generalize better, and are more interpretable. A popular approach to building discrete-continuous computation graphs is that of integrating discrete probability distributions into neural networks using stochastic softmax tricks. Prior work has mainly focused on computation graphs with a single discrete component on each of the graph's execution paths. We analyze the behavior of more complex stochastic computations graphs with multiple sequential discrete components. We show that it is challenging to optimize the parameters of these models, mainly due to small  gradients and local minima. We then propose two new strategies to overcome these challenges. First, we show that increasing the scale parameter of the Gumbel noise perturbations during training improves the learning behavior. Second, we propose dropout residual connections specifically tailored to stochastic, discrete-continuous computation graphs. With an extensive set of experiments, we show that we can train complex discrete-continuous models which one cannot train with standard stochastic softmax tricks. We also show that complex discrete-stochastic models generalize better than their continuous counterparts on several benchmark datasets.
Time Discretization-Invariant Safe Action Repetition for Policy Gradient Methods
Authors: Seohong Park, Jaekyeom Kim, Gunhee Kim

In reinforcement learning, continuous time is often discretized by a time scale $\delta$, to which the resulting performance is known to be highly sensitive. In this work, we seek to find a $\delta$-invariant algorithm for policy gradient (PG) methods, which performs well regardless of the value of $\delta$. We first identify the underlying reasons that cause PG methods to fail as $\delta \to 0$, proving that the variance of the PG estimator can diverge to infinity in stochastic environments under a certain assumption of stochasticity. While durative actions or action repetition can be employed to have $\delta$-invariance, previous action repetition methods cannot immediately react to unexpected situations in stochastic environments. We thus propose a novel $\delta$-invariant method named Safe Action Repetition (SAR) applicable to any existing PG algorithm. SAR can handle the stochasticity of environments by adaptively reacting to changes in states during action repetition. We empirically show that our method is not only $\delta$-invariant but also robust to stochasticity, outperforming previous $\delta$-invariant approaches on eight MuJoCo environments with both deterministic and stochastic settings. Our code is available at https://vision.snu.ac.kr/projects/sar.
D2C: Diffusion-Decoding Models for Few-Shot Conditional Generation
Authors: Abhishek Sinha, Jiaming Song, Chenlin Meng, Stefano Ermon

Conditional generative models of high-dimensional images have many applications, but supervision signals from conditions to images can be expensive to acquire. This paper describes Diffusion-Decoding models with Contrastive representations (D2C), a paradigm for training unconditional variational autoencoders (VAE) for few-shot conditional image generation. D2C uses a learned diffusion-based prior over the latent representations to improve generation and contrastive self-supervised learning to improve representation quality. D2C can adapt to novel generation tasks, conditioned on labels or manipulation constraints, by learning from as few as 100 labeled examples. On conditional generation from new labels, D2C achieves superior performance over state-of-the-art VAEs and diffusion models. On conditional image manipulation, D2C generations are two orders of magnitude faster to produce over StyleGAN2 ones and are preferred by 50% - 60% of the human evaluators in a double-blind study. We release our code at .
When Is Generalizable Reinforcement Learning Tractable?
Authors: Dhruv Malik, Yuanzhi Li, Pradeep Kumar Ravikumar

Agents trained by reinforcement learning (RL) often fail to generalize beyond the environment they were trained in, even when presented with new scenarios that seem similar to the training environment. We study the query complexity required to train RL agents that generalize to multiple environments. Intuitively, tractable generalization is only possible when the environments are similar or close in some sense. To capture this, we introduce Weak Proximity, a natural structural condition that requires the environments to have highly similar transition and reward functions and share a policy providing optimal value. Despite such shared structure, we prove that tractable generalization is impossible in the worst case. This holds even when each individual environment can be efficiently solved to obtain an optimal linear policy, and when the agent possesses a generative model. Our lower bound applies to the more complex task of representation learning for efficient generalization to multiple environments. On the positive side, we introduce Strong Proximity, a strengthened condition which we prove is sufficient for efficient generalization.
Convex Polytope Trees
Authors: Mohammadreza Armandpour, Ali Sadeghian, Mingyuan Zhou

A decision tree is commonly restricted to use a single hyperplane to split the covariate space at each of its internal nodes. It often requires a large number of nodes to achieve high accuracy. In this paper, we propose convex polytope trees (CPT) to expand the family of decision trees by an interpretable generalization of their decision boundary. The splitting function at each node of CPT is based on the logical disjunction of a community of differently weighted probabilistic linear decision-makers, which also geometrically corresponds to a convex polytope in the covariate space. We use a nonparametric Bayesian prior at each node to infer the community's size, encouraging simpler decision boundaries by shrinking the number of polytope facets. We develop a greedy method to efficiently construct CPT and scalable end-to-end training algorithms for the tree parameters when the tree structure is given. We empirically demonstrate the efficiency of CPT over existing state-of-the-art decision trees in several real-world classification and regression tasks from diverse domains.
Learning to Adapt via Latent Domains for Adaptive Semantic Segmentation
Authors: Yunan Liu, Shanshan Zhang, Yang Li, Jian Yang

Domain adaptive semantic segmentation aims to transfer knowledge learned from labeled source domain to unlabeled target domain. To narrow down the domain gap and ease adaptation difficulty, some recent methods translate source images to target-like images (latent domains), which are used as supplement or substitute to the original source data. Nevertheless, these methods neglect to explicitly model the relationship of knowledge transferring across different domains. Alternatively, in this work we break through the standard “source-target” one pair adaptation framework and construct multiple adaptation pairs (e.g. “source-latent” and “latent-target”). The purpose is to use the meta-knowledge (how to adapt) learned from one pair as guidance to assist the adaptation of another pair under a meta-learning framework. Furthermore, we extend our method to a more practical setting of open compound domain adaptation (a.k.a multiple-target domain adaptation), where the target is a compound of multiple domains without domain labels. In this setting, we embed an additional pair of “latent-latent” to reduce the domain gap between the source and different latent domains, allowing the model to adapt well on multiple target domains simultaneously. When evaluated on standard benchmarks, our method is superior to the state-of-the-art methods in both the single target and multiple-target domain adaptation settings.
Dynamic Neural Representational Decoders for High-Resolution Semantic Segmentation
Authors: Bowen Zhang, Yifan liu, Zhi Tian, Chunhua Shen

Semantic segmentation requires per-pixel prediction for a given image. Typically, the output resolution of a segmentation network is severely reduced due to the downsampling operations in the CNN backbone. Most previous methods employ upsampling decoders to recover the spatial resolution.
Various decoders were designed in the literature. Here, we propose a novel decoder, termed dynamic neural representational decoder (NRD), which is simple yet significantly more efficient. As each location on the encoder's output corresponds to a local patch of the semantic labels, in this work, we represent these local patches of labels with compact neural networks. This neural representation enables our decoder to leverage the smoothness prior in the semantic label space, and thus makes our decoder more efficient. Furthermore, these neural representations are dynamically generated and conditioned on the outputs of the encoder networks. The desired semantic labels can be efficiently decoded from the neural representations, resulting in high-resolution semantic segmentation predictions.
We empirically show that our proposed decoder can outperform the decoder in DeeplabV3+ with only $\sim$$30\%$ computational complexity, and achieve competitive performance with the methods using dilated encoders with only $\sim$$15\% $ computation. Experiments on Cityscapes, ADE20K, and Pascal Context demonstrate the effectiveness and efficiency of our proposed method.
Encoding Spatial Distribution of Convolutional Features for Texture Representation
Authors: Yong Xu, Feng Li, Zhile Chen, Jinxiu Liang, Yuhui Quan

Existing convolutional neural networks (CNNs) often use global average pooling (GAP) to aggregate feature maps into a single representation. However, GAP cannot well characterize complex distributive patterns of spatial features while such patterns play an important role in texture-oriented applications, e.g., material recognition and ground terrain classification. In the context of texture representation, this paper addressed the issue by proposing Fractal Encoding (FE), a feature encoding module grounded by multi-fractal geometry. Considering a CNN feature map as a union of level sets of points lying in the 2D space, FE characterizes their spatial layout via a local-global hierarchical fractal analysis which examines the multi-scale power behavior on each level set. This enables a CNN to encode the regularity on the spatial arrangement of image features, leading to a robust yet discriminative spectrum descriptor. In addition, FE has trainable parameters for data adaptivity and can be easily incorporated into existing CNNs for end-to-end training. We applied FE to ResNet-based texture classification and retrieval, and demonstrated its effectiveness on several benchmark datasets.
Detecting and Adapting to Irregular Distribution Shifts in Bayesian Online Learning
Authors: Aodong Li, Alex James Boyd, Padhraic Smyth, Stephan Mandt

We consider the problem of online learning in the presence of distribution shifts that occur at an unknown rate and of unknown intensity. We derive a new Bayesian online inference approach to simultaneously infer these distribution shifts and adapt the model to the detected changes by integrating ideas from change point detection, switching dynamical systems, and Bayesian online learning. Using a binary ‘change variable,’ we construct an informative prior such that--if a change is detected--the model partially erases the information of past model updates by tempering to facilitate adaptation to the new data distribution. Furthermore, the approach uses beam search to track multiple change-point hypotheses and selects the most probable one in hindsight. Our proposed method is model-agnostic, applicable in both supervised and unsupervised learning settings, suitable for an environment of concept drifts or covariate drifts, and yields improvements over state-of-the-art Bayesian online learning approaches.
A Distance Correlation-based Kernel for Nonlinear Causal Clustering in Heterogeneous Populations
Authors: Alex Markham, Moritz Grosse-Wentrup

We consider the problem of causal structure learning in the setting of heterogeneous populations, i.e., populations in which a single causal structure does not adequately represent all population members, as is common in biological and social sciences. To this end, we introduce a distance covariance-based kernel designed specifically to measure the similarity between the underlying nonlinear causal structures of different samples.This kernel enables us to perform clustering to identify the homogeneous subpopulations. Indeed, we prove the corresponding feature map is a statistically consistent estimator of nonlinear independence structure, rendering the kernel itself a statistical test for the hypothesis that sets of samples come from different generating causal structures. We can then use existing methods to learn a causal structure for each of these subpopulations. We demonstrate using our kernel for causal clustering with an application in genetics, allowing us to reason about the latent transcription factor networks regulating measured gene expression levels.
Learning Debiased and Disentangled Representations for Semantic Segmentation
Authors: Sanghyeok Chu, Dongwan Kim, Bohyung Han

Deep neural networks are susceptible to learn biased models with entangled feature representations, which may lead to subpar performances on various downstream tasks. This is particularly true for under-represented classes, where a lack of diversity in the data exacerbates the tendency. This limitation has been addressed mostly in classification tasks, but there is little study on additional challenges that may appear in more complex dense prediction problems including semantic segmentation. To this end, we propose a model-agnostic and stochastic training scheme for semantic segmentation, which facilitates the learning of debiased and disentangled representations. For each class, we first extract class-specific information from the highly entangled feature map. Then, information related to a randomly sampled class is suppressed by a feature selection process in the feature space. By randomly eliminating certain class information in each training iteration, we effectively reduce feature dependencies among classes, and the model is able to learn more debiased and disentangled feature representations. Models trained with our approach demonstrate strong results on multiple semantic segmentation benchmarks, with especially notable performance gains on under-represented classes.
Infinite Time Horizon Safety of Bayesian Neural Networks
Authors: Mathias Lechner, Đorđe Žikelić, Krishnendu Chatterjee, Thomas A Henzinger

Bayesian neural networks (BNNs) place distributions over the weights of a neural network to model uncertainty in the data and the network's prediction.
We consider the problem of verifying safety when running a Bayesian neural network policy in a feedback loop with infinite time horizon systems.
Compared to the existing sampling-based approaches, which are inapplicable to the infinite time horizon setting, we train a separate deterministic neural network that serves as an infinite time horizon safety certificate.
In particular, we show that the certificate network guarantees the safety of the system over a subset of the BNN weight posterior's support. Our method first computes a safe weight set and then alters the BNN's weight posterior to reject samples outside this set. Moreover, we show how to extend our approach to a safe-exploration reinforcement learning setting, in order to avoid unsafe trajectories during the training of the policy. 
We evaluate our approach on a series of reinforcement learning benchmarks, including non-Lyapunovian safety specifications.